data_8RR9
# 
_entry.id   8RR9 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   8RR9         pdb_00008rr9 10.2210/pdb8rr9/pdb 
WWPDB D_1292136034 ?            ?                   
# 
_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       2025-01-29 
# 
_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                        8RR9 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-22 
_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})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
544.911   1   ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    1   ? ? ? ? 
4 water       nat water 18.015    110 ? ? ? ? 
# 
_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})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
A1H2R 
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 
A1H2R non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
? 'C22 H24 Cl F3 N6 O5' 544.911 
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        A1H2R 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2R 
_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 A1H2R 1   301 301 A1H2R LIG A . 
C 3 SCN   1   302 302 SCN   SCN A . 
D 4 HOH   1   401 98  HOH   HOH A . 
D 4 HOH   2   402 93  HOH   HOH A . 
D 4 HOH   3   403 105 HOH   HOH A . 
D 4 HOH   4   404 86  HOH   HOH A . 
D 4 HOH   5   405 23  HOH   HOH A . 
D 4 HOH   6   406 13  HOH   HOH A . 
D 4 HOH   7   407 84  HOH   HOH A . 
D 4 HOH   8   408 67  HOH   HOH A . 
D 4 HOH   9   409 42  HOH   HOH A . 
D 4 HOH   10  410 62  HOH   HOH A . 
D 4 HOH   11  411 96  HOH   HOH A . 
D 4 HOH   12  412 112 HOH   HOH A . 
D 4 HOH   13  413 25  HOH   HOH A . 
D 4 HOH   14  414 66  HOH   HOH A . 
D 4 HOH   15  415 44  HOH   HOH A . 
D 4 HOH   16  416 5   HOH   HOH A . 
D 4 HOH   17  417 32  HOH   HOH A . 
D 4 HOH   18  418 26  HOH   HOH A . 
D 4 HOH   19  419 110 HOH   HOH A . 
D 4 HOH   20  420 7   HOH   HOH A . 
D 4 HOH   21  421 34  HOH   HOH A . 
D 4 HOH   22  422 81  HOH   HOH A . 
D 4 HOH   23  423 11  HOH   HOH A . 
D 4 HOH   24  424 115 HOH   HOH A . 
D 4 HOH   25  425 18  HOH   HOH A . 
D 4 HOH   26  426 30  HOH   HOH A . 
D 4 HOH   27  427 97  HOH   HOH A . 
D 4 HOH   28  428 64  HOH   HOH A . 
D 4 HOH   29  429 113 HOH   HOH A . 
D 4 HOH   30  430 9   HOH   HOH A . 
D 4 HOH   31  431 22  HOH   HOH A . 
D 4 HOH   32  432 108 HOH   HOH A . 
D 4 HOH   33  433 46  HOH   HOH A . 
D 4 HOH   34  434 24  HOH   HOH A . 
D 4 HOH   35  435 15  HOH   HOH A . 
D 4 HOH   36  436 19  HOH   HOH A . 
D 4 HOH   37  437 20  HOH   HOH A . 
D 4 HOH   38  438 12  HOH   HOH A . 
D 4 HOH   39  439 45  HOH   HOH A . 
D 4 HOH   40  440 57  HOH   HOH A . 
D 4 HOH   41  441 28  HOH   HOH A . 
D 4 HOH   42  442 6   HOH   HOH A . 
D 4 HOH   43  443 43  HOH   HOH A . 
D 4 HOH   44  444 39  HOH   HOH A . 
D 4 HOH   45  445 101 HOH   HOH A . 
D 4 HOH   46  446 31  HOH   HOH A . 
D 4 HOH   47  447 70  HOH   HOH A . 
D 4 HOH   48  448 3   HOH   HOH A . 
D 4 HOH   49  449 87  HOH   HOH A . 
D 4 HOH   50  450 60  HOH   HOH A . 
D 4 HOH   51  451 117 HOH   HOH A . 
D 4 HOH   52  452 72  HOH   HOH A . 
D 4 HOH   53  453 68  HOH   HOH A . 
D 4 HOH   54  454 75  HOH   HOH A . 
D 4 HOH   55  455 2   HOH   HOH A . 
D 4 HOH   56  456 91  HOH   HOH A . 
D 4 HOH   57  457 106 HOH   HOH A . 
D 4 HOH   58  458 36  HOH   HOH A . 
D 4 HOH   59  459 65  HOH   HOH A . 
D 4 HOH   60  460 38  HOH   HOH A . 
D 4 HOH   61  461 59  HOH   HOH A . 
D 4 HOH   62  462 14  HOH   HOH A . 
D 4 HOH   63  463 85  HOH   HOH A . 
D 4 HOH   64  464 8   HOH   HOH A . 
D 4 HOH   65  465 104 HOH   HOH A . 
D 4 HOH   66  466 83  HOH   HOH A . 
D 4 HOH   67  467 17  HOH   HOH A . 
D 4 HOH   68  468 88  HOH   HOH A . 
D 4 HOH   69  469 54  HOH   HOH A . 
D 4 HOH   70  470 53  HOH   HOH A . 
D 4 HOH   71  471 37  HOH   HOH A . 
D 4 HOH   72  472 80  HOH   HOH A . 
D 4 HOH   73  473 29  HOH   HOH A . 
D 4 HOH   74  474 21  HOH   HOH A . 
D 4 HOH   75  475 58  HOH   HOH A . 
D 4 HOH   76  476 27  HOH   HOH A . 
D 4 HOH   77  477 100 HOH   HOH A . 
D 4 HOH   78  478 109 HOH   HOH A . 
D 4 HOH   79  479 107 HOH   HOH A . 
D 4 HOH   80  480 69  HOH   HOH A . 
D 4 HOH   81  481 33  HOH   HOH A . 
D 4 HOH   82  482 16  HOH   HOH A . 
D 4 HOH   83  483 73  HOH   HOH A . 
D 4 HOH   84  484 63  HOH   HOH A . 
D 4 HOH   85  485 4   HOH   HOH A . 
D 4 HOH   86  486 90  HOH   HOH A . 
D 4 HOH   87  487 10  HOH   HOH A . 
D 4 HOH   88  488 114 HOH   HOH A . 
D 4 HOH   89  489 116 HOH   HOH A . 
D 4 HOH   90  490 76  HOH   HOH A . 
D 4 HOH   91  491 102 HOH   HOH A . 
D 4 HOH   92  492 52  HOH   HOH A . 
D 4 HOH   93  493 41  HOH   HOH A . 
D 4 HOH   94  494 71  HOH   HOH A . 
D 4 HOH   95  495 56  HOH   HOH A . 
D 4 HOH   96  496 89  HOH   HOH A . 
D 4 HOH   97  497 50  HOH   HOH A . 
D 4 HOH   98  498 82  HOH   HOH A . 
D 4 HOH   99  499 48  HOH   HOH A . 
D 4 HOH   100 500 47  HOH   HOH A . 
D 4 HOH   101 501 92  HOH   HOH A . 
D 4 HOH   102 502 79  HOH   HOH A . 
D 4 HOH   103 503 40  HOH   HOH A . 
D 4 HOH   104 504 49  HOH   HOH A . 
D 4 HOH   105 505 99  HOH   HOH A . 
D 4 HOH   106 506 103 HOH   HOH A . 
D 4 HOH   107 507 35  HOH   HOH A . 
D 4 HOH   108 508 51  HOH   HOH A . 
D 4 HOH   109 509 77  HOH   HOH A . 
D 4 HOH   110 510 111 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 LYS 210 ? CE ? A LYS 98 CE 
2 1 Y 1 A LYS 210 ? NZ ? A LYS 98 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'   ? ? ? ? ? ? ? ? ? ? ? XSCALE   ? ? ? .        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                     8RR9 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.470 
_cell.length_a_esd                 ? 
_cell.length_b                     57.480 
_cell.length_b_esd                 ? 
_cell.length_c                     62.250 
_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                         8RR9 
_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                   8RR9 
_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             1.96 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.37 
_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    
;1.8 M Ammonium citrate
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 PILATUS 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-02-05 
_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   1.00 
_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                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RR9 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.25 
_reflns.d_resolution_low                               42.231 
_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                                     65811 
_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                           99.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.27 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.90 
_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                                1.78 
_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                                   0.999 
_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                                    1.25 
_reflns_shell.d_res_low                                     1.33 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.60 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             10647 
_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                               0.066 
_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                                  0.238 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_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]                            2.017 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.674 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -1.343 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.194 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.979 
_refine.correlation_coeff_Fo_to_Fc_free          0.976 
_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                                 8RR9 
_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                            1.250 
_refine.ls_d_res_low                             31.144 
_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                     34953 
_refine.ls_number_reflns_R_free                  1736 
_refine.ls_number_reflns_R_work                  33217 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.903 
_refine.ls_percent_reflns_R_free                 4.967 
_refine.ls_R_factor_all                          0.158 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1881 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1567 
_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                      ? 
_refine.ls_wR_factor_R_work                      ? 
_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                       0.048 
_refine.pdbx_overall_ESU_R_Free                  0.047 
_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                             2.426 
_refine.overall_SU_ML                            0.043 
_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                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1106 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.number_atoms_solvent             110 
_refine_hist.number_atoms_total               1256 
_refine_hist.d_res_high                       1.250 
_refine_hist.d_res_low                        31.144 
# 
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' ? 0.006  0.012  1203 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1145 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.475  1.846  1640 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.528  1.762  2631 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.356  5.000  143  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 4.905  5.000  10   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.805 10.000 195  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.095 10.000 57   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.067  0.200  175  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.676  0.200  8    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  1425 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  289  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  160  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  1003 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  555  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  618  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.127  0.200  65   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.163  0.200  11   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.197  0.200  41   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.118  0.200  10   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.555  1.729  567  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.534  1.727  566  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.198  3.111  711  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.198  3.113  712  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.026  2.032  636  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.020  2.030  636  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 7.534  3.616  929  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.529  3.613  929  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 11.737 20.829 1232 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 11.096 19.904 1213 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.452  3.000  2348 ? 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' 1.250 1.282  2550 . 122 2426 99.9216  . 0.352 . . 0.351 . . . . . 0.347 . 20 . 0.912 0.865 0.374 
'X-RAY DIFFRACTION' 1.282 1.317  2480 . 119 2361 100.0000 . 0.315 . . 0.314 . . . . . 0.305 . 20 . 0.928 0.917 0.338 
'X-RAY DIFFRACTION' 1.317 1.356  2385 . 98  2287 100.0000 . 0.287 . . 0.286 . . . . . 0.272 . 20 . 0.947 0.934 0.292 
'X-RAY DIFFRACTION' 1.356 1.397  2366 . 96  2270 100.0000 . 0.269 . . 0.267 . . . . . 0.247 . 20 . 0.952 0.928 0.331 
'X-RAY DIFFRACTION' 1.397 1.443  2288 . 117 2171 100.0000 . 0.236 . . 0.234 . . . . . 0.208 . 20 . 0.963 0.932 0.268 
'X-RAY DIFFRACTION' 1.443 1.493  2194 . 123 2070 99.9544  . 0.197 . . 0.193 . . . . . 0.171 . 20 . 0.976 0.956 0.268 
'X-RAY DIFFRACTION' 1.493 1.550  2134 . 116 2017 99.9531  . 0.174 . . 0.172 . . . . . 0.146 . 20 . 0.982 0.967 0.210 
'X-RAY DIFFRACTION' 1.550 1.613  2040 . 120 1919 99.9510  . 0.141 . . 0.138 . . . . . 0.117 . 20 . 0.990 0.974 0.189 
'X-RAY DIFFRACTION' 1.613 1.684  1991 . 93  1898 100.0000 . 0.141 . . 0.139 . . . . . 0.117 . 20 . 0.988 0.984 0.172 
'X-RAY DIFFRACTION' 1.684 1.766  1890 . 101 1789 100.0000 . 0.146 . . 0.144 . . . . . 0.123 . 20 . 0.987 0.974 0.180 
'X-RAY DIFFRACTION' 1.766 1.862  1803 . 84  1718 99.9445  . 0.123 . . 0.121 . . . . . 0.106 . 20 . 0.991 0.982 0.173 
'X-RAY DIFFRACTION' 1.862 1.974  1707 . 85  1620 99.8828  . 0.123 . . 0.121 . . . . . 0.108 . 20 . 0.991 0.983 0.168 
'X-RAY DIFFRACTION' 1.974 2.110  1617 . 89  1526 99.8763  . 0.117 . . 0.115 . . . . . 0.109 . 20 . 0.992 0.985 0.150 
'X-RAY DIFFRACTION' 2.110 2.278  1512 . 85  1425 99.8677  . 0.126 . . 0.124 . . . . . 0.122 . 20 . 0.991 0.980 0.179 
'X-RAY DIFFRACTION' 2.278 2.494  1400 . 89  1311 100.0000 . 0.135 . . 0.132 . . . . . 0.134 . 20 . 0.989 0.981 0.184 
'X-RAY DIFFRACTION' 2.494 2.786  1258 . 44  1213 99.9205  . 0.160 . . 0.158 . . . . . 0.164 . 20 . 0.985 0.977 0.214 
'X-RAY DIFFRACTION' 2.786 3.213  1141 . 49  1087 99.5618  . 0.156 . . 0.155 . . . . . 0.170 . 20 . 0.985 0.981 0.186 
'X-RAY DIFFRACTION' 3.213 3.924  973  . 60  907  99.3833  . 0.141 . . 0.139 . . . . . 0.159 . 20 . 0.987 0.980 0.174 
'X-RAY DIFFRACTION' 3.924 5.506  773  . 24  744  99.3532  . 0.148 . . 0.149 . . . . . 0.174 . 20 . 0.987 0.994 0.115 
'X-RAY DIFFRACTION' 5.506 31.144 480  . 22  458  100.0000 . 0.207 . . 0.206 . . . . . 0.267 . 20 . 0.973 0.967 0.231 
# 
_struct.entry_id                     8RR9 
_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        8RR9 
_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              8RR9 
_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_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_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)'  7340 ? 
# 
_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       -1.88 
# 
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                   8RR9 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_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 ? ? 84.84   2.22  
2 1 ASN A 164 ? ? -151.72 73.86 
# 
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 
A1H2R N1   N  Y N 1   
A1H2R N3   N  Y N 2   
A1H2R C4   C  N N 3   
A1H2R C5   C  Y N 4   
A1H2R C6   C  Y N 5   
A1H2R C7   C  N S 6   
A1H2R C8   C  N N 7   
A1H2R C10  C  N S 8   
A1H2R C13  C  N R 9   
A1H2R C15  C  Y N 10  
A1H2R C17  C  Y N 11  
A1H2R C20  C  Y N 12  
A1H2R C21  C  Y N 13  
A1H2R C22  C  Y N 14  
A1H2R C1   C  N N 15  
A1H2R O1   O  N N 16  
A1H2R C2   C  N R 17  
A1H2R C3   C  N R 18  
A1H2R O2   O  N N 19  
A1H2R C9   C  N N 20  
A1H2R F1   F  N N 21  
A1H2R N2   N  Y N 22  
A1H2R O3   O  N N 23  
A1H2R C11  C  N R 24  
A1H2R C12  C  N N 25  
A1H2R O4   O  N N 26  
A1H2R O5   O  N N 27  
A1H2R C14  C  N S 28  
A1H2R N4   N  Y N 29  
A1H2R N5   N  Y N 30  
A1H2R N6   N  Y N 31  
A1H2R C16  C  Y N 32  
A1H2R C18  C  Y N 33  
A1H2R C19  C  Y N 34  
A1H2R CL1  CL N N 35  
A1H2R F2   F  N N 36  
A1H2R F3   F  N N 37  
A1H2R H7   H  N N 38  
A1H2R H6   H  N N 39  
A1H2R H8   H  N N 40  
A1H2R H9   H  N N 41  
A1H2R H10  H  N N 42  
A1H2R H11  H  N N 43  
A1H2R H14  H  N N 44  
A1H2R H19  H  N N 45  
A1H2R H22  H  N N 46  
A1H2R H24  H  N N 47  
A1H2R H2   H  N N 48  
A1H2R H3   H  N N 49  
A1H2R H1   H  N N 50  
A1H2R H4   H  N N 51  
A1H2R H5   H  N N 52  
A1H2R H12  H  N N 53  
A1H2R H13  H  N N 54  
A1H2R H15  H  N N 55  
A1H2R H16  H  N N 56  
A1H2R H17  H  N N 57  
A1H2R H18  H  N N 58  
A1H2R H20  H  N N 59  
A1H2R H21  H  N N 60  
A1H2R H23  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
CYS   N    N  N N 135 
CYS   CA   C  N R 136 
CYS   C    C  N N 137 
CYS   O    O  N N 138 
CYS   CB   C  N N 139 
CYS   SG   S  N N 140 
CYS   OXT  O  N N 141 
CYS   H    H  N N 142 
CYS   H2   H  N N 143 
CYS   HA   H  N N 144 
CYS   HB2  H  N N 145 
CYS   HB3  H  N N 146 
CYS   HG   H  N N 147 
CYS   HXT  H  N N 148 
GLN   N    N  N N 149 
GLN   CA   C  N S 150 
GLN   C    C  N N 151 
GLN   O    O  N N 152 
GLN   CB   C  N N 153 
GLN   CG   C  N N 154 
GLN   CD   C  N N 155 
GLN   OE1  O  N N 156 
GLN   NE2  N  N N 157 
GLN   OXT  O  N N 158 
GLN   H    H  N N 159 
GLN   H2   H  N N 160 
GLN   HA   H  N N 161 
GLN   HB2  H  N N 162 
GLN   HB3  H  N N 163 
GLN   HG2  H  N N 164 
GLN   HG3  H  N N 165 
GLN   HE21 H  N N 166 
GLN   HE22 H  N N 167 
GLN   HXT  H  N N 168 
GLU   N    N  N N 169 
GLU   CA   C  N S 170 
GLU   C    C  N N 171 
GLU   O    O  N N 172 
GLU   CB   C  N N 173 
GLU   CG   C  N N 174 
GLU   CD   C  N N 175 
GLU   OE1  O  N N 176 
GLU   OE2  O  N N 177 
GLU   OXT  O  N N 178 
GLU   H    H  N N 179 
GLU   H2   H  N N 180 
GLU   HA   H  N N 181 
GLU   HB2  H  N N 182 
GLU   HB3  H  N N 183 
GLU   HG2  H  N N 184 
GLU   HG3  H  N N 185 
GLU   HE2  H  N N 186 
GLU   HXT  H  N N 187 
GLY   N    N  N N 188 
GLY   CA   C  N N 189 
GLY   C    C  N N 190 
GLY   O    O  N N 191 
GLY   OXT  O  N N 192 
GLY   H    H  N N 193 
GLY   H2   H  N N 194 
GLY   HA2  H  N N 195 
GLY   HA3  H  N N 196 
GLY   HXT  H  N N 197 
HIS   N    N  N N 198 
HIS   CA   C  N S 199 
HIS   C    C  N N 200 
HIS   O    O  N N 201 
HIS   CB   C  N N 202 
HIS   CG   C  Y N 203 
HIS   ND1  N  Y N 204 
HIS   CD2  C  Y N 205 
HIS   CE1  C  Y N 206 
HIS   NE2  N  Y N 207 
HIS   OXT  O  N N 208 
HIS   H    H  N N 209 
HIS   H2   H  N N 210 
HIS   HA   H  N N 211 
HIS   HB2  H  N N 212 
HIS   HB3  H  N N 213 
HIS   HD1  H  N N 214 
HIS   HD2  H  N N 215 
HIS   HE1  H  N N 216 
HIS   HE2  H  N N 217 
HIS   HXT  H  N N 218 
HOH   O    O  N N 219 
HOH   H1   H  N N 220 
HOH   H2   H  N N 221 
ILE   N    N  N N 222 
ILE   CA   C  N S 223 
ILE   C    C  N N 224 
ILE   O    O  N N 225 
ILE   CB   C  N S 226 
ILE   CG1  C  N N 227 
ILE   CG2  C  N N 228 
ILE   CD1  C  N N 229 
ILE   OXT  O  N N 230 
ILE   H    H  N N 231 
ILE   H2   H  N N 232 
ILE   HA   H  N N 233 
ILE   HB   H  N N 234 
ILE   HG12 H  N N 235 
ILE   HG13 H  N N 236 
ILE   HG21 H  N N 237 
ILE   HG22 H  N N 238 
ILE   HG23 H  N N 239 
ILE   HD11 H  N N 240 
ILE   HD12 H  N N 241 
ILE   HD13 H  N N 242 
ILE   HXT  H  N N 243 
LEU   N    N  N N 244 
LEU   CA   C  N S 245 
LEU   C    C  N N 246 
LEU   O    O  N N 247 
LEU   CB   C  N N 248 
LEU   CG   C  N N 249 
LEU   CD1  C  N N 250 
LEU   CD2  C  N N 251 
LEU   OXT  O  N N 252 
LEU   H    H  N N 253 
LEU   H2   H  N N 254 
LEU   HA   H  N N 255 
LEU   HB2  H  N N 256 
LEU   HB3  H  N N 257 
LEU   HG   H  N N 258 
LEU   HD11 H  N N 259 
LEU   HD12 H  N N 260 
LEU   HD13 H  N N 261 
LEU   HD21 H  N N 262 
LEU   HD22 H  N N 263 
LEU   HD23 H  N N 264 
LEU   HXT  H  N N 265 
LYS   N    N  N N 266 
LYS   CA   C  N S 267 
LYS   C    C  N N 268 
LYS   O    O  N N 269 
LYS   CB   C  N N 270 
LYS   CG   C  N N 271 
LYS   CD   C  N N 272 
LYS   CE   C  N N 273 
LYS   NZ   N  N N 274 
LYS   OXT  O  N N 275 
LYS   H    H  N N 276 
LYS   H2   H  N N 277 
LYS   HA   H  N N 278 
LYS   HB2  H  N N 279 
LYS   HB3  H  N N 280 
LYS   HG2  H  N N 281 
LYS   HG3  H  N N 282 
LYS   HD2  H  N N 283 
LYS   HD3  H  N N 284 
LYS   HE2  H  N N 285 
LYS   HE3  H  N N 286 
LYS   HZ1  H  N N 287 
LYS   HZ2  H  N N 288 
LYS   HZ3  H  N N 289 
LYS   HXT  H  N N 290 
MET   N    N  N N 291 
MET   CA   C  N S 292 
MET   C    C  N N 293 
MET   O    O  N N 294 
MET   CB   C  N N 295 
MET   CG   C  N N 296 
MET   SD   S  N N 297 
MET   CE   C  N N 298 
MET   OXT  O  N N 299 
MET   H    H  N N 300 
MET   H2   H  N N 301 
MET   HA   H  N N 302 
MET   HB2  H  N N 303 
MET   HB3  H  N N 304 
MET   HG2  H  N N 305 
MET   HG3  H  N N 306 
MET   HE1  H  N N 307 
MET   HE2  H  N N 308 
MET   HE3  H  N N 309 
MET   HXT  H  N N 310 
PHE   N    N  N N 311 
PHE   CA   C  N S 312 
PHE   C    C  N N 313 
PHE   O    O  N N 314 
PHE   CB   C  N N 315 
PHE   CG   C  Y N 316 
PHE   CD1  C  Y N 317 
PHE   CD2  C  Y N 318 
PHE   CE1  C  Y N 319 
PHE   CE2  C  Y N 320 
PHE   CZ   C  Y N 321 
PHE   OXT  O  N N 322 
PHE   H    H  N N 323 
PHE   H2   H  N N 324 
PHE   HA   H  N N 325 
PHE   HB2  H  N N 326 
PHE   HB3  H  N N 327 
PHE   HD1  H  N N 328 
PHE   HD2  H  N N 329 
PHE   HE1  H  N N 330 
PHE   HE2  H  N N 331 
PHE   HZ   H  N N 332 
PHE   HXT  H  N N 333 
PRO   N    N  N N 334 
PRO   CA   C  N S 335 
PRO   C    C  N N 336 
PRO   O    O  N N 337 
PRO   CB   C  N N 338 
PRO   CG   C  N N 339 
PRO   CD   C  N N 340 
PRO   OXT  O  N N 341 
PRO   H    H  N N 342 
PRO   HA   H  N N 343 
PRO   HB2  H  N N 344 
PRO   HB3  H  N N 345 
PRO   HG2  H  N N 346 
PRO   HG3  H  N N 347 
PRO   HD2  H  N N 348 
PRO   HD3  H  N N 349 
PRO   HXT  H  N N 350 
SCN   S    S  N N 351 
SCN   C    C  N N 352 
SCN   N    N  N N 353 
SER   N    N  N N 354 
SER   CA   C  N S 355 
SER   C    C  N N 356 
SER   O    O  N N 357 
SER   CB   C  N N 358 
SER   OG   O  N N 359 
SER   OXT  O  N N 360 
SER   H    H  N N 361 
SER   H2   H  N N 362 
SER   HA   H  N N 363 
SER   HB2  H  N N 364 
SER   HB3  H  N N 365 
SER   HG   H  N N 366 
SER   HXT  H  N N 367 
THR   N    N  N N 368 
THR   CA   C  N S 369 
THR   C    C  N N 370 
THR   O    O  N N 371 
THR   CB   C  N R 372 
THR   OG1  O  N N 373 
THR   CG2  C  N N 374 
THR   OXT  O  N N 375 
THR   H    H  N N 376 
THR   H2   H  N N 377 
THR   HA   H  N N 378 
THR   HB   H  N N 379 
THR   HG1  H  N N 380 
THR   HG21 H  N N 381 
THR   HG22 H  N N 382 
THR   HG23 H  N N 383 
THR   HXT  H  N N 384 
TRP   N    N  N N 385 
TRP   CA   C  N S 386 
TRP   C    C  N N 387 
TRP   O    O  N N 388 
TRP   CB   C  N N 389 
TRP   CG   C  Y N 390 
TRP   CD1  C  Y N 391 
TRP   CD2  C  Y N 392 
TRP   NE1  N  Y N 393 
TRP   CE2  C  Y N 394 
TRP   CE3  C  Y N 395 
TRP   CZ2  C  Y N 396 
TRP   CZ3  C  Y N 397 
TRP   CH2  C  Y N 398 
TRP   OXT  O  N N 399 
TRP   H    H  N N 400 
TRP   H2   H  N N 401 
TRP   HA   H  N N 402 
TRP   HB2  H  N N 403 
TRP   HB3  H  N N 404 
TRP   HD1  H  N N 405 
TRP   HE1  H  N N 406 
TRP   HE3  H  N N 407 
TRP   HZ2  H  N N 408 
TRP   HZ3  H  N N 409 
TRP   HH2  H  N N 410 
TRP   HXT  H  N N 411 
TYR   N    N  N N 412 
TYR   CA   C  N S 413 
TYR   C    C  N N 414 
TYR   O    O  N N 415 
TYR   CB   C  N N 416 
TYR   CG   C  Y N 417 
TYR   CD1  C  Y N 418 
TYR   CD2  C  Y N 419 
TYR   CE1  C  Y N 420 
TYR   CE2  C  Y N 421 
TYR   CZ   C  Y N 422 
TYR   OH   O  N N 423 
TYR   OXT  O  N N 424 
TYR   H    H  N N 425 
TYR   H2   H  N N 426 
TYR   HA   H  N N 427 
TYR   HB2  H  N N 428 
TYR   HB3  H  N N 429 
TYR   HD1  H  N N 430 
TYR   HD2  H  N N 431 
TYR   HE1  H  N N 432 
TYR   HE2  H  N N 433 
TYR   HH   H  N N 434 
TYR   HXT  H  N N 435 
VAL   N    N  N N 436 
VAL   CA   C  N S 437 
VAL   C    C  N N 438 
VAL   O    O  N N 439 
VAL   CB   C  N N 440 
VAL   CG1  C  N N 441 
VAL   CG2  C  N N 442 
VAL   OXT  O  N N 443 
VAL   H    H  N N 444 
VAL   H2   H  N N 445 
VAL   HA   H  N N 446 
VAL   HB   H  N N 447 
VAL   HG11 H  N N 448 
VAL   HG12 H  N N 449 
VAL   HG13 H  N N 450 
VAL   HG21 H  N N 451 
VAL   HG22 H  N N 452 
VAL   HG23 H  N N 453 
VAL   HXT  H  N N 454 
# 
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 
A1H2R N3  N2   doub Y N 1   
A1H2R N3  C5   sing Y N 2   
A1H2R N2  N1   sing Y N 3   
A1H2R O2  C8   sing N N 4   
A1H2R O2  C9   sing N N 5   
A1H2R C8  C7   sing N N 6   
A1H2R C5  C4   sing N N 7   
A1H2R C5  C6   doub Y N 8   
A1H2R C9  C10  sing N N 9   
A1H2R C4  C3   sing N N 10  
A1H2R N1  C7   sing N N 11  
A1H2R N1  C6   sing Y N 12  
A1H2R N5  N6   doub Y N 13  
A1H2R N5  N4   sing Y N 14  
A1H2R C7  C10  sing N N 15  
A1H2R O1  C1   sing N N 16  
A1H2R O1  C2   sing N N 17  
A1H2R N6  C15  sing Y N 18  
A1H2R F1  C10  sing N N 19  
A1H2R C14 N4   sing N N 20  
A1H2R C14 C2   sing N N 21  
A1H2R C14 C13  sing N N 22  
A1H2R C3  C2   sing N N 23  
A1H2R C3  O3   sing N N 24  
A1H2R N4  C22  sing Y N 25  
A1H2R C17 C18  doub Y N 26  
A1H2R C17 C16  sing Y N 27  
A1H2R C15 C22  doub Y N 28  
A1H2R C15 C16  sing N N 29  
A1H2R C11 O3   sing N N 30  
A1H2R C11 C13  sing N N 31  
A1H2R C11 C12  sing N N 32  
A1H2R C13 O5   sing N N 33  
A1H2R C18 C19  sing Y N 34  
A1H2R C16 C21  doub Y N 35  
A1H2R O4  C12  sing N N 36  
A1H2R C19 CL1  sing N N 37  
A1H2R C19 C20  doub Y N 38  
A1H2R C21 C20  sing Y N 39  
A1H2R C21 F3   sing N N 40  
A1H2R C20 F2   sing N N 41  
A1H2R C4  H7   sing N N 42  
A1H2R C4  H6   sing N N 43  
A1H2R C6  H8   sing N N 44  
A1H2R C7  H9   sing N N 45  
A1H2R C8  H10  sing N N 46  
A1H2R C8  H11  sing N N 47  
A1H2R C10 H14  sing N N 48  
A1H2R C13 H19  sing N N 49  
A1H2R C17 H22  sing N N 50  
A1H2R C22 H24  sing N N 51  
A1H2R C1  H2   sing N N 52  
A1H2R C1  H3   sing N N 53  
A1H2R C1  H1   sing N N 54  
A1H2R C2  H4   sing N N 55  
A1H2R C3  H5   sing N N 56  
A1H2R C9  H12  sing N N 57  
A1H2R C9  H13  sing N N 58  
A1H2R C11 H15  sing N N 59  
A1H2R C12 H16  sing N N 60  
A1H2R C12 H17  sing N N 61  
A1H2R O4  H18  sing N N 62  
A1H2R O5  H20  sing N N 63  
A1H2R C14 H21  sing N N 64  
A1H2R C18 H23  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                    8RR9 
_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]   0.029011 
_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]   0.017397 
_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]   0.016064 
_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   
CL 17 17 11.4601 0.0104  7.1962 1.1662  6.2554 18.5194 1.6455 47.7784 -9.3378  
F  9  9  3.5395  10.2825 2.6414 4.2944  1.5171 0.2615  1.0244 26.1476 0.3057   
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   ? 6.666   2.276   10.486  1.000 28.072 0 113 PRO   A N    1 ? 
ATOM   2    C  CA   . PRO   A 1 1   ? 5.697   3.220   9.947   1.000 25.097 0 113 PRO   A CA   1 ? 
ATOM   3    C  C    . PRO   A 1 1   ? 5.814   3.443   8.445   1.000 22.178 0 113 PRO   A C    1 ? 
ATOM   4    O  O    . PRO   A 1 1   ? 6.898   3.333   7.868   1.000 22.113 0 113 PRO   A O    1 ? 
ATOM   5    C  CB   . PRO   A 1 1   ? 6.018   4.471   10.755  1.000 28.012 0 113 PRO   A CB   1 ? 
ATOM   6    C  CG   . PRO   A 1 1   ? 6.384   3.925   12.125  1.000 29.628 0 113 PRO   A CG   1 ? 
ATOM   7    C  CD   . PRO   A 1 1   ? 6.701   2.448   11.925  1.000 30.072 0 113 PRO   A CD   1 ? 
ATOM   8    H  H    . PRO   A 1 1   ? 7.121   1.718   10.016  1.000 27.543 0 113 PRO   A H    1 c 
ATOM   9    H  HA   . PRO   A 1 1   ? 4.787   2.905   10.172  1.000 24.989 0 113 PRO   A HA   1 c 
ATOM   10   H  HB2  . PRO   A 1 1   ? 6.774   4.964   10.357  1.000 27.707 0 113 PRO   A HB2  1 c 
ATOM   11   H  HB3  . PRO   A 1 1   ? 5.235   5.068   10.809  1.000 27.799 0 113 PRO   A HB3  1 c 
ATOM   12   H  HG2  . PRO   A 1 1   ? 7.164   4.396   12.486  1.000 29.363 0 113 PRO   A HG2  1 c 
ATOM   13   H  HG3  . PRO   A 1 1   ? 5.637   4.034   12.750  1.000 29.506 0 113 PRO   A HG3  1 c 
ATOM   14   H  HD2  . PRO   A 1 1   ? 7.588   2.228   12.286  1.000 29.679 0 113 PRO   A HD2  1 c 
ATOM   15   H  HD3  . PRO   A 1 1   ? 6.027   1.883   12.365  1.000 29.682 0 113 PRO   A HD3  1 c 
ATOM   16   N  N    . LEU   A 1 2   ? 4.661   3.751   7.845   1.000 18.638 0 114 LEU   A N    1 ? 
ATOM   17   C  CA   . LEU   A 1 2   ? 4.472   3.802   6.408   1.000 17.953 0 114 LEU   A CA   1 ? 
ATOM   18   C  C    . LEU   A 1 2   ? 3.735   5.093   6.081   1.000 19.510 0 114 LEU   A C    1 ? 
ATOM   19   O  O    . LEU   A 1 2   ? 2.909   5.543   6.874   1.000 23.428 0 114 LEU   A O    1 ? 
ATOM   20   C  CB   . LEU   A 1 2   ? 3.650   2.583   5.977   1.000 19.442 0 114 LEU   A CB   1 ? 
ATOM   21   C  CG   . LEU   A 1 2   ? 4.190   1.206   6.379   1.000 21.508 0 114 LEU   A CG   1 ? 
ATOM   22   C  CD1  . LEU   A 1 2   ? 3.135   0.133   6.172   1.000 22.441 0 114 LEU   A CD1  1 ? 
ATOM   23   C  CD2  . LEU   A 1 2   ? 5.453   0.881   5.599   1.000 23.239 0 114 LEU   A CD2  1 ? 
ATOM   24   H  H    . LEU   A 1 2   ? 3.943   3.948   8.375   1.000 18.953 0 114 LEU   A H    1 c 
ATOM   25   H  HA   . LEU   A 1 2   ? 5.354   3.794   5.957   1.000 18.437 0 114 LEU   A HA   1 c 
ATOM   26   H  HB2  . LEU   A 1 2   ? 2.745   2.679   6.351   1.000 19.453 0 114 LEU   A HB2  1 c 
ATOM   27   H  HB3  . LEU   A 1 2   ? 3.563   2.605   4.996   1.000 19.496 0 114 LEU   A HB3  1 c 
ATOM   28   H  HG   . LEU   A 1 2   ? 4.419   1.229   7.343   1.000 21.481 0 114 LEU   A HG   1 c 
ATOM   29   H  HD11 . LEU   A 1 2   ? 2.356   0.334   6.717   1.000 22.281 0 114 LEU   A HD11 1 c 
ATOM   30   H  HD12 . LEU   A 1 2   ? 3.495   -0.732  6.429   1.000 22.212 0 114 LEU   A HD12 1 c 
ATOM   31   H  HD13 . LEU   A 1 2   ? 2.875   0.109   5.235   1.000 22.258 0 114 LEU   A HD13 1 c 
ATOM   32   H  HD21 . LEU   A 1 2   ? 6.135   1.547   5.791   1.000 22.923 0 114 LEU   A HD21 1 c 
ATOM   33   H  HD22 . LEU   A 1 2   ? 5.257   0.884   4.647   1.000 22.780 0 114 LEU   A HD22 1 c 
ATOM   34   H  HD23 . LEU   A 1 2   ? 5.779   0.003   5.859   1.000 22.758 0 114 LEU   A HD23 1 c 
ATOM   35   N  N    . ILE   A 1 3   ? 3.961   5.634   4.881   1.000 20.317 0 115 ILE   A N    1 ? 
ATOM   36   C  CA   . ILE   A 1 3   ? 3.257   6.831   4.445   1.000 21.238 0 115 ILE   A CA   1 ? 
ATOM   37   C  C    . ILE   A 1 3   ? 2.015   6.441   3.644   1.000 19.482 0 115 ILE   A C    1 ? 
ATOM   38   O  O    . ILE   A 1 3   ? 2.108   5.763   2.634   1.000 22.695 0 115 ILE   A O    1 ? 
ATOM   39   C  CB   . ILE   A 1 3   ? 4.182   7.746   3.617   1.000 24.719 0 115 ILE   A CB   1 ? 
ATOM   40   C  CG1  . ILE   A 1 3   ? 5.502   8.035   4.327   1.000 27.072 0 115 ILE   A CG1  1 ? 
ATOM   41   C  CG2  . ILE   A 1 3   ? 3.435   9.031   3.251   1.000 25.879 0 115 ILE   A CG2  1 ? 
ATOM   42   C  CD1  . ILE   A 1 3   ? 5.336   8.696   5.681   1.000 28.836 0 115 ILE   A CD1  1 ? 
ATOM   43   H  H    . ILE   A 1 3   ? 4.570   5.249   4.318   1.000 20.237 0 115 ILE   A H    1 c 
ATOM   44   H  HA   . ILE   A 1 3   ? 2.969   7.326   5.236   1.000 21.324 0 115 ILE   A HA   1 c 
ATOM   45   H  HB   . ILE   A 1 3   ? 4.392   7.276   2.785   1.000 24.541 0 115 ILE   A HB   1 c 
ATOM   46   H  HG12 . ILE   A 1 3   ? 5.989   7.194   4.444   1.000 26.888 0 115 ILE   A HG12 1 c 
ATOM   47   H  HG13 . ILE   A 1 3   ? 6.044   8.617   3.757   1.000 26.964 0 115 ILE   A HG13 1 c 
ATOM   48   H  HG21 . ILE   A 1 3   ? 4.045   9.648   2.813   1.000 25.578 0 115 ILE   A HG21 1 c 
ATOM   49   H  HG22 . ILE   A 1 3   ? 3.082   9.445   4.056   1.000 25.678 0 115 ILE   A HG22 1 c 
ATOM   50   H  HG23 . ILE   A 1 3   ? 2.702   8.824   2.648   1.000 25.517 0 115 ILE   A HG23 1 c 
ATOM   51   H  HD11 . ILE   A 1 3   ? 4.851   9.537   5.584   1.000 28.226 0 115 ILE   A HD11 1 c 
ATOM   52   H  HD12 . ILE   A 1 3   ? 6.218   8.876   6.058   1.000 28.516 0 115 ILE   A HD12 1 c 
ATOM   53   H  HD13 . ILE   A 1 3   ? 4.844   8.106   6.283   1.000 28.379 0 115 ILE   A HD13 1 c 
ATOM   54   N  N    . VAL   A 1 4   ? 0.844   6.919   4.067   1.000 19.180 0 116 VAL   A N    1 ? 
ATOM   55   C  CA   . VAL   A 1 4   ? -0.340  6.608   3.287   1.000 19.457 0 116 VAL   A CA   1 ? 
ATOM   56   C  C    . VAL   A 1 4   ? -0.369  7.495   2.043   1.000 18.527 0 116 VAL   A C    1 ? 
ATOM   57   O  O    . VAL   A 1 4   ? 0.221   8.577   2.025   1.000 20.464 0 116 VAL   A O    1 ? 
ATOM   58   C  CB   . VAL   A 1 4   ? -1.628  6.752   4.121   1.000 21.688 0 116 VAL   A CB   1 ? 
ATOM   59   C  CG1  . VAL   A 1 4   ? -1.661  5.759   5.276   1.000 21.869 0 116 VAL   A CG1  1 ? 
ATOM   60   C  CG2  . VAL   A 1 4   ? -1.865  8.175   4.604   1.000 23.547 0 116 VAL   A CG2  1 ? 
ATOM   61   H  HA   . VAL   A 1 4   ? -0.272  5.679   3.001   1.000 19.506 0 116 VAL   A HA   1 c 
ATOM   62   H  HB   . VAL   A 1 4   ? -2.380  6.525   3.530   1.000 21.542 0 116 VAL   A HB   1 c 
ATOM   63   H  HG11 . VAL   A 1 4   ? -0.901  5.914   5.862   1.000 21.798 0 116 VAL   A HG11 1 c 
ATOM   64   H  HG12 . VAL   A 1 4   ? -1.619  4.853   4.926   1.000 21.865 0 116 VAL   A HG12 1 c 
ATOM   65   H  HG13 . VAL   A 1 4   ? -2.485  5.873   5.778   1.000 21.747 0 116 VAL   A HG13 1 c 
ATOM   66   H  HG21 . VAL   A 1 4   ? -2.661  8.199   5.161   1.000 23.201 0 116 VAL   A HG21 1 c 
ATOM   67   H  HG22 . VAL   A 1 4   ? -1.989  8.763   3.840   1.000 23.034 0 116 VAL   A HG22 1 c 
ATOM   68   H  HG23 . VAL   A 1 4   ? -1.100  8.476   5.121   1.000 23.217 0 116 VAL   A HG23 1 c 
ATOM   69   N  N    . PRO   A 1 5   ? -1.106  7.122   0.971   1.000 18.770 0 117 PRO   A N    1 ? 
ATOM   70   C  CA   . PRO   A 1 5   ? -1.867  5.870   0.911   1.000 18.666 0 117 PRO   A CA   1 ? 
ATOM   71   C  C    . PRO   A 1 5   ? -0.999  4.619   0.816   1.000 18.350 0 117 PRO   A C    1 ? 
ATOM   72   O  O    . PRO   A 1 5   ? 0.095   4.668   0.270   1.000 20.210 0 117 PRO   A O    1 ? 
ATOM   73   C  CB   . PRO   A 1 5   ? -2.753  6.053   -0.330  1.000 21.234 0 117 PRO   A CB   1 ? 
ATOM   74   C  CG   . PRO   A 1 5   ? -2.013  7.045   -1.192  1.000 21.787 0 117 PRO   A CG   1 ? 
ATOM   75   C  CD   . PRO   A 1 5   ? -1.267  7.950   -0.230  1.000 20.564 0 117 PRO   A CD   1 ? 
ATOM   76   H  HA   . PRO   A 1 5   ? -2.443  5.811   1.707   1.000 18.966 0 117 PRO   A HA   1 c 
ATOM   77   H  HB2  . PRO   A 1 5   ? -2.873  5.197   -0.806  1.000 20.785 0 117 PRO   A HB2  1 c 
ATOM   78   H  HB3  . PRO   A 1 5   ? -3.641  6.401   -0.079  1.000 20.878 0 117 PRO   A HB3  1 c 
ATOM   79   H  HG2  . PRO   A 1 5   ? -1.386  6.586   -1.789  1.000 21.481 0 117 PRO   A HG2  1 c 
ATOM   80   H  HG3  . PRO   A 1 5   ? -2.641  7.565   -1.737  1.000 21.499 0 117 PRO   A HG3  1 c 
ATOM   81   H  HD2  . PRO   A 1 5   ? -0.395  8.212   -0.598  1.000 20.383 0 117 PRO   A HD2  1 c 
ATOM   82   H  HD3  . PRO   A 1 5   ? -1.789  8.759   -0.032  1.000 20.485 0 117 PRO   A HD3  1 c 
ATOM   83   N  N    . TYR   A 1 6   ? -1.498  3.514   1.374   1.000 17.408 0 118 TYR   A N    1 ? 
ATOM   84   C  CA   . TYR   A 1 6   ? -0.777  2.260   1.390   1.000 17.730 0 118 TYR   A CA   1 ? 
ATOM   85   C  C    . TYR   A 1 6   ? -1.717  1.151   0.960   1.000 18.253 0 118 TYR   A C    1 ? 
ATOM   86   O  O    . TYR   A 1 6   ? -2.864  1.103   1.388   1.000 19.782 0 118 TYR   A O    1 ? 
ATOM   87   C  CB   . TYR   A 1 6   ? -0.212  2.000   2.788   1.000 18.467 0 118 TYR   A CB   1 ? 
ATOM   88   C  CG   . TYR   A 1 6   ? 0.425   0.631   2.921   1.000 19.995 0 118 TYR   A CG   1 ? 
ATOM   89   C  CD1  . TYR   A 1 6   ? 1.600   0.334   2.254   1.000 23.040 0 118 TYR   A CD1  1 ? 
ATOM   90   C  CD2  . TYR   A 1 6   ? -0.108  -0.351  3.729   1.000 20.299 0 118 TYR   A CD2  1 ? 
ATOM   91   C  CE1  . TYR   A 1 6   ? 2.211   -0.905  2.366   1.000 25.134 0 118 TYR   A CE1  1 ? 
ATOM   92   C  CE2  . TYR   A 1 6   ? 0.475   -1.598  3.845   1.000 21.888 0 118 TYR   A CE2  1 ? 
ATOM   93   C  CZ   . TYR   A 1 6   ? 1.645   -1.877  3.171   1.000 23.806 0 118 TYR   A CZ   1 ? 
ATOM   94   O  OH   . TYR   A 1 6   ? 2.231   -3.103  3.289   1.000 27.887 0 118 TYR   A OH   1 ? 
ATOM   95   H  H    . TYR   A 1 6   ? -2.325  3.547   1.760   1.000 17.599 0 118 TYR   A H    1 c 
ATOM   96   H  HA   . TYR   A 1 6   ? -0.023  2.313   0.745   1.000 17.848 0 118 TYR   A HA   1 c 
ATOM   97   H  HB2  . TYR   A 1 6   ? 0.460   2.688   2.990   1.000 18.487 0 118 TYR   A HB2  1 c 
ATOM   98   H  HB3  . TYR   A 1 6   ? -0.941  2.081   3.443   1.000 18.606 0 118 TYR   A HB3  1 c 
ATOM   99   H  HD1  . TYR   A 1 6   ? 1.993   0.990   1.703   1.000 22.465 0 118 TYR   A HD1  1 c 
ATOM   100  H  HD2  . TYR   A 1 6   ? -0.909  -0.177  4.195   1.000 20.391 0 118 TYR   A HD2  1 c 
ATOM   101  H  HE1  . TYR   A 1 6   ? 3.007   -1.085  1.895   1.000 24.558 0 118 TYR   A HE1  1 c 
ATOM   102  H  HE2  . TYR   A 1 6   ? 0.085   -2.252  4.399   1.000 21.764 0 118 TYR   A HE2  1 c 
ATOM   103  H  HH   . TYR   A 1 6   ? 2.790   -3.099  3.933   0.000 30.488 0 118 TYR   A HH   1 c 
ATOM   104  N  N    . ASN   A 1 7   ? -1.213  0.244   0.129   1.000 19.870 0 119 ASN   A N    1 ? 
ATOM   105  C  CA   . ASN   A 1 7   ? -1.974  -0.921  -0.266  1.000 20.966 0 119 ASN   A CA   1 ? 
ATOM   106  C  C    . ASN   A 1 7   ? -1.357  -2.172  0.356   1.000 20.435 0 119 ASN   A C    1 ? 
ATOM   107  O  O    . ASN   A 1 7   ? -0.197  -2.482  0.101   1.000 23.932 0 119 ASN   A O    1 ? 
ATOM   108  C  CB   . ASN   A 1 7   ? -2.060  -1.007  -1.783  1.000 26.308 0 119 ASN   A CB   1 ? 
ATOM   109  C  CG   . ASN   A 1 7   ? -3.325  -1.716  -2.178  1.000 30.354 0 119 ASN   A CG   1 ? 
ATOM   110  O  OD1  . ASN   A 1 7   ? -3.293  -2.941  -2.318  1.000 33.731 0 119 ASN   A OD1  1 ? 
ATOM   111  N  ND2  . ASN   A 1 7   ? -4.448  -1.000  -2.230  1.000 32.040 0 119 ASN   A ND2  1 ? 
ATOM   112  H  H    . ASN   A 1 7   ? -0.369  0.354   -0.203  1.000 19.596 0 119 ASN   A H    1 c 
ATOM   113  H  HA   . ASN   A 1 7   ? -2.891  -0.822  0.074   1.000 21.025 0 119 ASN   A HA   1 c 
ATOM   114  H  HB2  . ASN   A 1 7   ? -2.055  -0.107  -2.165  1.000 25.471 0 119 ASN   A HB2  1 c 
ATOM   115  H  HB3  . ASN   A 1 7   ? -1.288  -1.496  -2.130  1.000 25.814 0 119 ASN   A HB3  1 c 
ATOM   116  H  HD21 . ASN   A 1 7   ? -4.430  -0.132  -2.040  1.000 31.586 0 119 ASN   A HD21 1 c 
ATOM   117  H  HD22 . ASN   A 1 7   ? -5.211  -1.390  -2.457  1.000 31.578 0 119 ASN   A HD22 1 c 
ATOM   118  N  N    . LEU   A 1 8   ? -2.121  -2.847  1.221   1.000 17.343 0 120 LEU   A N    1 ? 
ATOM   119  C  CA   . LEU   A 1 8   ? -1.741  -4.120  1.806   1.000 19.175 0 120 LEU   A CA   1 ? 
ATOM   120  C  C    . LEU   A 1 8   ? -2.217  -5.231  0.878   1.000 18.418 0 120 LEU   A C    1 ? 
ATOM   121  O  O    . LEU   A 1 8   ? -3.417  -5.394  0.664   1.000 17.759 0 120 LEU   A O    1 ? 
ATOM   122  C  CB   . LEU   A 1 8   ? -2.341  -4.279  3.203   1.000 20.452 0 120 LEU   A CB   1 ? 
ATOM   123  C  CG   . LEU   A 1 8   ? -2.055  -5.605  3.920   1.000 21.577 0 120 LEU   A CG   1 ? 
ATOM   124  C  CD1  . LEU   A 1 8   ? -0.583  -5.732  4.262   1.000 23.127 0 120 LEU   A CD1  1 ? 
ATOM   125  C  CD2  . LEU   A 1 8   ? -2.928  -5.744  5.162   1.000 22.381 0 120 LEU   A CD2  1 ? 
ATOM   126  H  H    . LEU   A 1 8   ? -2.927  -2.488  1.461   1.000 17.864 0 120 LEU   A H    1 c 
ATOM   127  H  HA   . LEU   A 1 8   ? -0.756  -4.151  1.875   1.000 18.997 0 120 LEU   A HA   1 c 
ATOM   128  H  HB2  . LEU   A 1 8   ? -2.005  -3.544  3.766   1.000 20.371 0 120 LEU   A HB2  1 c 
ATOM   129  H  HB3  . LEU   A 1 8   ? -3.318  -4.171  3.131   1.000 20.333 0 120 LEU   A HB3  1 c 
ATOM   130  H  HG   . LEU   A 1 8   ? -2.289  -6.346  3.304   1.000 21.687 0 120 LEU   A HG   1 c 
ATOM   131  H  HD11 . LEU   A 1 8   ? -0.057  -5.726  3.445   1.000 22.743 0 120 LEU   A HD11 1 c 
ATOM   132  H  HD12 . LEU   A 1 8   ? -0.431  -6.567  4.737   1.000 22.720 0 120 LEU   A HD12 1 c 
ATOM   133  H  HD13 . LEU   A 1 8   ? -0.314  -4.987  4.825   1.000 22.797 0 120 LEU   A HD13 1 c 
ATOM   134  H  HD21 . LEU   A 1 8   ? -3.865  -5.731  4.904   1.000 22.414 0 120 LEU   A HD21 1 c 
ATOM   135  H  HD22 . LEU   A 1 8   ? -2.749  -5.007  5.769   1.000 22.142 0 120 LEU   A HD22 1 c 
ATOM   136  H  HD23 . LEU   A 1 8   ? -2.728  -6.584  5.607   1.000 22.152 0 120 LEU   A HD23 1 c 
ATOM   137  N  N    . PRO   A 1 9   ? -1.317  -6.048  0.291   1.000 19.500 0 121 PRO   A N    1 ? 
ATOM   138  C  CA   . PRO   A 1 9   ? -1.778  -7.190  -0.502  1.000 20.732 0 121 PRO   A CA   1 ? 
ATOM   139  C  C    . PRO   A 1 9   ? -2.470  -8.223  0.383   1.000 19.906 0 121 PRO   A C    1 ? 
ATOM   140  O  O    . PRO   A 1 9   ? -2.046  -8.453  1.518   1.000 21.200 0 121 PRO   A O    1 ? 
ATOM   141  C  CB   . PRO   A 1 9   ? -0.495  -7.742  -1.121  1.000 22.325 0 121 PRO   A CB   1 ? 
ATOM   142  C  CG   . PRO   A 1 9   ? 0.500   -6.628  -0.967  1.000 23.287 0 121 PRO   A CG   1 ? 
ATOM   143  C  CD   . PRO   A 1 9   ? 0.153   -5.918  0.308   1.000 21.606 0 121 PRO   A CD   1 ? 
ATOM   144  H  HA   . PRO   A 1 9   ? -2.390  -6.878  -1.215  1.000 20.497 0 121 PRO   A HA   1 c 
ATOM   145  H  HB2  . PRO   A 1 9   ? -0.193  -8.551  -0.644  1.000 22.142 0 121 PRO   A HB2  1 c 
ATOM   146  H  HB3  . PRO   A 1 9   ? -0.631  -7.963  -2.071  1.000 22.126 0 121 PRO   A HB3  1 c 
ATOM   147  H  HG2  . PRO   A 1 9   ? 1.412   -6.986  -0.921  1.000 22.646 0 121 PRO   A HG2  1 c 
ATOM   148  H  HG3  . PRO   A 1 9   ? 0.447   -6.012  -1.727  1.000 22.752 0 121 PRO   A HG3  1 c 
ATOM   149  H  HD2  . PRO   A 1 9   ? 0.547   -6.366  1.089   1.000 21.435 0 121 PRO   A HD2  1 c 
ATOM   150  H  HD3  . PRO   A 1 9   ? 0.437   -4.979  0.281   1.000 21.403 0 121 PRO   A HD3  1 c 
ATOM   151  N  N    . LEU   A 1 10  ? -3.519  -8.847  -0.170  1.000 18.479 0 122 LEU   A N    1 ? 
ATOM   152  C  CA   . LEU   A 1 10  ? -4.245  -9.924  0.478   1.000 18.462 0 122 LEU   A CA   1 ? 
ATOM   153  C  C    . LEU   A 1 10  ? -4.251  -11.088 -0.504  1.000 18.701 0 122 LEU   A C    1 ? 
ATOM   154  O  O    . LEU   A 1 10  ? -5.218  -11.317 -1.213  1.000 17.814 0 122 LEU   A O    1 ? 
ATOM   155  C  CB   . LEU   A 1 10  ? -5.662  -9.486  0.834   1.000 18.223 0 122 LEU   A CB   1 ? 
ATOM   156  C  CG   . LEU   A 1 10  ? -5.792  -8.210  1.674   1.000 18.296 0 122 LEU   A CG   1 ? 
ATOM   157  C  CD1  . LEU   A 1 10  ? -7.246  -7.834  1.808   1.000 17.679 0 122 LEU   A CD1  1 ? 
ATOM   158  C  CD2  . LEU   A 1 10  ? -5.189  -8.333  3.050   1.000 19.368 0 122 LEU   A CD2  1 ? 
ATOM   159  H  H    . LEU   A 1 10  ? -3.792  -8.583  -1.001  1.000 18.657 0 122 LEU   A H    1 c 
ATOM   160  H  HA   . LEU   A 1 10  ? -3.766  -10.188 1.302   1.000 18.511 0 122 LEU   A HA   1 c 
ATOM   161  H  HB2  . LEU   A 1 10  ? -6.162  -9.353  -0.004  1.000 18.190 0 122 LEU   A HB2  1 c 
ATOM   162  H  HB3  . LEU   A 1 10  ? -6.096  -10.223 1.321   1.000 18.283 0 122 LEU   A HB3  1 c 
ATOM   163  H  HG   . LEU   A 1 10  ? -5.327  -7.475  1.197   1.000 18.317 0 122 LEU   A HG   1 c 
ATOM   164  H  HD11 . LEU   A 1 10  ? -7.622  -7.669  0.928   1.000 17.815 0 122 LEU   A HD11 1 c 
ATOM   165  H  HD12 . LEU   A 1 10  ? -7.325  -7.030  2.349   1.000 17.800 0 122 LEU   A HD12 1 c 
ATOM   166  H  HD13 . LEU   A 1 10  ? -7.731  -8.559  2.236   1.000 17.787 0 122 LEU   A HD13 1 c 
ATOM   167  H  HD21 . LEU   A 1 10  ? -4.243  -8.540  2.974   1.000 19.197 0 122 LEU   A HD21 1 c 
ATOM   168  H  HD22 . LEU   A 1 10  ? -5.637  -9.044  3.539   1.000 19.096 0 122 LEU   A HD22 1 c 
ATOM   169  H  HD23 . LEU   A 1 10  ? -5.299  -7.494  3.529   1.000 19.157 0 122 LEU   A HD23 1 c 
ATOM   170  N  N    . PRO   A 1 11  ? -3.127  -11.813 -0.638  1.000 18.983 0 123 PRO   A N    1 ? 
ATOM   171  C  CA   . PRO   A 1 11  ? -2.980  -12.773 -1.734  1.000 18.006 0 123 PRO   A CA   1 ? 
ATOM   172  C  C    . PRO   A 1 11  ? -3.991  -13.910 -1.667  1.000 18.409 0 123 PRO   A C    1 ? 
ATOM   173  O  O    . PRO   A 1 11  ? -4.120  -14.569 -0.661  1.000 22.812 0 123 PRO   A O    1 ? 
ATOM   174  C  CB   . PRO   A 1 11  ? -1.536  -13.286 -1.568  1.000 18.966 0 123 PRO   A CB   1 ? 
ATOM   175  C  CG   . PRO   A 1 11  ? -0.855  -12.263 -0.689  1.000 20.130 0 123 PRO   A CG   1 ? 
ATOM   176  C  CD   . PRO   A 1 11  ? -1.928  -11.711 0.209   1.000 19.953 0 123 PRO   A CD   1 ? 
ATOM   177  H  HA   . PRO   A 1 11  ? -3.066  -12.293 -2.594  1.000 18.424 0 123 PRO   A HA   1 c 
ATOM   178  H  HB2  . PRO   A 1 11  ? -1.525  -14.175 -1.142  1.000 19.018 0 123 PRO   A HB2  1 c 
ATOM   179  H  HB3  . PRO   A 1 11  ? -1.086  -13.349 -2.442  1.000 19.035 0 123 PRO   A HB3  1 c 
ATOM   180  H  HG2  . PRO   A 1 11  ? -0.145  -12.680 -0.158  1.000 20.063 0 123 PRO   A HG2  1 c 
ATOM   181  H  HG3  . PRO   A 1 11  ? -0.460  -11.549 -1.232  1.000 19.793 0 123 PRO   A HG3  1 c 
ATOM   182  H  HD2  . PRO   A 1 11  ? -2.020  -12.249 1.026   1.000 19.896 0 123 PRO   A HD2  1 c 
ATOM   183  H  HD3  . PRO   A 1 11  ? -1.736  -10.781 0.452   1.000 19.786 0 123 PRO   A HD3  1 c 
ATOM   184  N  N    . GLY   A 1 12  ? -4.707  -14.177 -2.748  1.000 16.893 0 124 GLY   A N    1 ? 
ATOM   185  C  CA   . GLY   A 1 12  ? -5.768  -15.175 -2.712  1.000 18.381 0 124 GLY   A CA   1 ? 
ATOM   186  C  C    . GLY   A 1 12  ? -6.989  -14.686 -1.944  1.000 19.593 0 124 GLY   A C    1 ? 
ATOM   187  O  O    . GLY   A 1 12  ? -7.838  -15.492 -1.584  1.000 21.319 0 124 GLY   A O    1 ? 
ATOM   188  H  H    . GLY   A 1 12  ? -4.550  -13.721 -3.524  1.000 17.415 0 124 GLY   A H    1 c 
ATOM   189  H  HA2  . GLY   A 1 12  ? -6.030  -15.397 -3.636  1.000 18.237 0 124 GLY   A HA2  1 c 
ATOM   190  H  HA3  . GLY   A 1 12  ? -5.425  -15.997 -2.291  1.000 18.321 0 124 GLY   A HA3  1 c 
ATOM   191  N  N    . GLY   A 1 13  ? -7.044  -13.382 -1.654  1.000 18.116 0 125 GLY   A N    1 ? 
ATOM   192  C  CA   . GLY   A 1 13  ? -8.213  -12.786 -1.041  1.000 17.757 0 125 GLY   A CA   1 ? 
ATOM   193  C  C    . GLY   A 1 13  ? -8.301  -13.096 0.449   1.000 18.138 0 125 GLY   A C    1 ? 
ATOM   194  O  O    . GLY   A 1 13  ? -7.319  -13.502 1.079   1.000 21.169 0 125 GLY   A O    1 ? 
ATOM   195  H  H    . GLY   A 1 13  ? -6.336  -12.842 -1.857  1.000 18.323 0 125 GLY   A H    1 c 
ATOM   196  H  HA2  . GLY   A 1 13  ? -8.174  -11.814 -1.169  1.000 17.937 0 125 GLY   A HA2  1 c 
ATOM   197  H  HA3  . GLY   A 1 13  ? -9.020  -13.118 -1.495  1.000 17.936 0 125 GLY   A HA3  1 c 
ATOM   198  N  N    . VAL   A 1 14  ? -9.493  -12.852 0.993   1.000 16.395 0 126 VAL   A N    1 ? 
ATOM   199  C  CA   . VAL   A 1 14  ? -9.749  -13.051 2.407   1.000 15.706 0 126 VAL   A CA   1 ? 
ATOM   200  C  C    . VAL   A 1 14  ? -10.522 -14.356 2.600   1.000 16.525 0 126 VAL   A C    1 ? 
ATOM   201  O  O    . VAL   A 1 14  ? -11.048 -14.941 1.654   1.000 18.115 0 126 VAL   A O    1 ? 
ATOM   202  C  CB   . VAL   A 1 14  ? -10.485 -11.843 3.021   1.000 16.009 0 126 VAL   A CB   1 ? 
ATOM   203  C  CG1  . VAL   A 1 14  ? -9.674  -10.572 2.854   1.000 15.595 0 126 VAL   A CG1  1 ? 
ATOM   204  C  CG2  . VAL   A 1 14  ? -11.896 -11.653 2.479   1.000 16.073 0 126 VAL   A CG2  1 ? 
ATOM   205  H  H    . VAL   A 1 14  ? -10.174 -12.554 0.460   1.000 16.557 0 126 VAL   A H    1 c 
ATOM   206  H  HA   . VAL   A 1 14  ? -8.890  -13.141 2.860   1.000 15.938 0 126 VAL   A HA   1 c 
ATOM   207  H  HB   . VAL   A 1 14  ? -10.562 -12.017 3.986   1.000 15.903 0 126 VAL   A HB   1 c 
ATOM   208  H  HG11 . VAL   A 1 14  ? -9.542  -10.391 1.908   1.000 15.688 0 126 VAL   A HG11 1 c 
ATOM   209  H  HG12 . VAL   A 1 14  ? -8.810  -10.678 3.285   1.000 15.690 0 126 VAL   A HG12 1 c 
ATOM   210  H  HG13 . VAL   A 1 14  ? -10.149 -9.828  3.261   1.000 15.664 0 126 VAL   A HG13 1 c 
ATOM   211  H  HG21 . VAL   A 1 14  ? -12.274 -10.834 2.839   1.000 16.036 0 126 VAL   A HG21 1 c 
ATOM   212  H  HG22 . VAL   A 1 14  ? -12.450 -12.406 2.744   1.000 16.074 0 126 VAL   A HG22 1 c 
ATOM   213  H  HG23 . VAL   A 1 14  ? -11.870 -11.596 1.509   1.000 16.083 0 126 VAL   A HG23 1 c 
ATOM   214  N  N    . VAL   A 1 15  ? -10.563 -14.794 3.857   1.000 16.686 0 127 VAL   A N    1 ? 
ATOM   215  C  CA   . VAL   A 1 15  ? -11.178 -16.057 4.236   1.000 16.600 0 127 VAL   A CA   1 ? 
ATOM   216  C  C    . VAL   A 1 15  ? -11.671 -15.898 5.666   1.000 17.099 0 127 VAL   A C    1 ? 
ATOM   217  O  O    . VAL   A 1 15  ? -11.076 -15.146 6.443   1.000 16.189 0 127 VAL   A O    1 ? 
ATOM   218  C  CB   . VAL   A 1 15  ? -10.151 -17.200 4.101   1.000 18.695 0 127 VAL   A CB   1 ? 
ATOM   219  C  CG1  . VAL   A 1 15  ? -8.970  -17.032 5.052   1.000 18.047 0 127 VAL   A CG1  1 ? 
ATOM   220  C  CG2  . VAL   A 1 15  ? -10.771 -18.576 4.273   1.000 20.035 0 127 VAL   A CG2  1 ? 
ATOM   221  H  H    . VAL   A 1 15  ? -10.182 -14.283 4.512   1.000 16.592 0 127 VAL   A H    1 c 
ATOM   222  H  HA   . VAL   A 1 15  ? -11.936 -16.232 3.648   1.000 16.959 0 127 VAL   A HA   1 c 
ATOM   223  H  HB   . VAL   A 1 15  ? -9.794  -17.154 3.183   1.000 18.350 0 127 VAL   A HB   1 c 
ATOM   224  H  HG11 . VAL   A 1 15  ? -9.281  -17.079 5.972   1.000 18.179 0 127 VAL   A HG11 1 c 
ATOM   225  H  HG12 . VAL   A 1 15  ? -8.547  -16.172 4.897   1.000 18.181 0 127 VAL   A HG12 1 c 
ATOM   226  H  HG13 . VAL   A 1 15  ? -8.325  -17.742 4.894   1.000 18.123 0 127 VAL   A HG13 1 c 
ATOM   227  H  HG21 . VAL   A 1 15  ? -10.092 -19.257 4.134   1.000 19.749 0 127 VAL   A HG21 1 c 
ATOM   228  H  HG22 . VAL   A 1 15  ? -11.485 -18.694 3.623   1.000 19.718 0 127 VAL   A HG22 1 c 
ATOM   229  H  HG23 . VAL   A 1 15  ? -11.134 -18.660 5.170   1.000 19.689 0 127 VAL   A HG23 1 c 
ATOM   230  N  N    . PRO   A 1 16  ? -12.768 -16.570 6.084   1.000 16.983 0 128 PRO   A N    1 ? 
ATOM   231  C  CA   . PRO   A 1 16  ? -13.165 -16.496 7.486   1.000 17.821 0 128 PRO   A CA   1 ? 
ATOM   232  C  C    . PRO   A 1 16  ? -12.031 -16.891 8.428   1.000 17.922 0 128 PRO   A C    1 ? 
ATOM   233  O  O    . PRO   A 1 16  ? -11.273 -17.813 8.140   1.000 18.048 0 128 PRO   A O    1 ? 
ATOM   234  C  CB   . PRO   A 1 16  ? -14.382 -17.415 7.564   1.000 19.067 0 128 PRO   A CB   1 ? 
ATOM   235  C  CG   . PRO   A 1 16  ? -14.972 -17.326 6.182   1.000 19.041 0 128 PRO   A CG   1 ? 
ATOM   236  C  CD   . PRO   A 1 16  ? -13.737 -17.329 5.270   1.000 18.099 0 128 PRO   A CD   1 ? 
ATOM   237  H  HA   . PRO   A 1 16  ? -13.447 -15.569 7.675   1.000 17.834 0 128 PRO   A HA   1 c 
ATOM   238  H  HB2  . PRO   A 1 16  ? -14.115 -18.340 7.776   1.000 18.841 0 128 PRO   A HB2  1 c 
ATOM   239  H  HB3  . PRO   A 1 16  ? -15.022 -17.098 8.244   1.000 18.794 0 128 PRO   A HB3  1 c 
ATOM   240  H  HG2  . PRO   A 1 16  ? -15.551 -18.094 5.994   1.000 18.926 0 128 PRO   A HG2  1 c 
ATOM   241  H  HG3  . PRO   A 1 16  ? -15.488 -16.500 6.071   1.000 18.867 0 128 PRO   A HG3  1 c 
ATOM   242  H  HD2  . PRO   A 1 16  ? -13.424 -18.245 5.099   1.000 18.080 0 128 PRO   A HD2  1 c 
ATOM   243  H  HD3  . PRO   A 1 16  ? -13.924 -16.878 4.418   1.000 18.034 0 128 PRO   A HD3  1 c 
ATOM   244  N  N    . ARG   A 1 17  ? -11.988 -16.166 9.546   1.000 17.218 0 129 ARG   A N    1 ? 
ATOM   245  C  CA   . ARG   A 1 17  ? -11.013 -16.258 10.627  1.000 17.909 0 129 ARG   A CA   1 ? 
ATOM   246  C  C    . ARG   A 1 17  ? -9.758  -15.433 10.340  1.000 17.325 0 129 ARG   A C    1 ? 
ATOM   247  O  O    . ARG   A 1 17  ? -8.877  -15.374 11.189  1.000 18.685 0 129 ARG   A O    1 ? 
ATOM   248  C  CB   . ARG   A 1 17  ? -10.684 -17.699 11.015  1.000 18.799 0 129 ARG   A CB   1 ? 
ATOM   249  C  CG   . ARG   A 1 17  ? -11.903 -18.425 11.561  1.000 21.849 0 129 ARG   A CG   1 ? 
ATOM   250  C  CD   . ARG   A 1 17  ? -11.553 -19.772 12.160  1.000 25.589 0 129 ARG   A CD   1 ? 
ATOM   251  N  NE   . ARG   A 1 17  ? -11.166 -20.714 11.106  1.000 30.917 0 129 ARG   A NE   1 ? 
ATOM   252  C  CZ   . ARG   A 1 17  ? -10.204 -21.631 11.140  1.000 37.038 0 129 ARG   A CZ   1 ? 
ATOM   253  N  NH1  . ARG   A 1 17  ? -9.471  -21.829 12.222  1.000 40.747 0 129 ARG   A NH1  1 ? 
ATOM   254  N  NH2  . ARG   A 1 17  ? -9.999  -22.378 10.072  1.000 39.143 0 129 ARG   A NH2  1 ? 
ATOM   255  H  H    . ARG   A 1 17  ? -12.651 -15.545 9.650   1.000 17.315 0 129 ARG   A H    1 c 
ATOM   256  H  HA   . ARG   A 1 17  ? -11.437 -15.859 11.428  1.000 17.888 0 129 ARG   A HA   1 c 
ATOM   257  H  HB2  . ARG   A 1 17  ? -10.340 -18.184 10.235  1.000 18.973 0 129 ARG   A HB2  1 c 
ATOM   258  H  HB3  . ARG   A 1 17  ? -9.983  -17.695 11.701  1.000 19.033 0 129 ARG   A HB3  1 c 
ATOM   259  H  HG2  . ARG   A 1 17  ? -12.328 -17.870 12.250  1.000 21.635 0 129 ARG   A HG2  1 c 
ATOM   260  H  HG3  . ARG   A 1 17  ? -12.552 -18.556 10.836  1.000 21.693 0 129 ARG   A HG3  1 c 
ATOM   261  H  HD2  . ARG   A 1 17  ? -10.815 -19.663 12.793  1.000 25.483 0 129 ARG   A HD2  1 c 
ATOM   262  H  HD3  . ARG   A 1 17  ? -12.325 -20.126 12.643  1.000 25.402 0 129 ARG   A HD3  1 c 
ATOM   263  H  HE   . ARG   A 1 17  ? -11.621 -20.669 10.365  1.000 30.255 0 129 ARG   A HE   1 c 
ATOM   264  H  HH11 . ARG   A 1 17  ? -8.815  -22.422 12.204  1.000 39.733 0 129 ARG   A HH11 1 c 
ATOM   265  H  HH12 . ARG   A 1 17  ? -9.632  -21.380 12.964  1.000 39.245 0 129 ARG   A HH12 1 c 
ATOM   266  H  HH21 . ARG   A 1 17  ? -9.397  -23.025 10.095  1.000 38.508 0 129 ARG   A HH21 1 c 
ATOM   267  H  HH22 . ARG   A 1 17  ? -10.464 -22.234 9.334   1.000 38.541 0 129 ARG   A HH22 1 c 
ATOM   268  N  N    . MET   A 1 18  ? -9.719  -14.720 9.211   1.000 15.786 0 130 MET   A N    1 ? 
ATOM   269  C  CA   . MET   A 1 18  ? -8.627  -13.787 8.957   1.000 16.921 0 130 MET   A CA   1 ? 
ATOM   270  C  C    . MET   A 1 18  ? -8.901  -12.497 9.727   1.000 17.218 0 130 MET   A C    1 ? 
ATOM   271  O  O    . MET   A 1 18  ? -9.971  -11.909 9.582   1.000 17.428 0 130 MET   A O    1 ? 
ATOM   272  C  CB   . MET   A 1 18  ? -8.537  -13.489 7.462   1.000 18.291 0 130 MET   A CB   1 ? 
ATOM   273  C  CG   . MET   A 1 18  ? -7.344  -12.702 7.011   1.000 19.320 0 130 MET   A CG   1 ? 
ATOM   274  S  SD   . MET   A 1 18  ? -7.326  -12.765 5.210   1.000 23.149 0 130 MET   A SD   1 ? 
ATOM   275  C  CE   . MET   A 1 18  ? -5.793  -11.921 4.827   1.000 23.599 0 130 MET   A CE   1 ? 
ATOM   276  H  H    . MET   A 1 18  ? -10.380 -14.809 8.587   1.000 16.240 0 130 MET   A H    1 c 
ATOM   277  H  HA   . MET   A 1 18  ? -7.779  -14.190 9.272   1.000 17.110 0 130 MET   A HA   1 c 
ATOM   278  H  HB2  . MET   A 1 18  ? -8.545  -14.344 6.981   1.000 18.183 0 130 MET   A HB2  1 c 
ATOM   279  H  HB3  . MET   A 1 18  ? -9.347  -13.001 7.199   1.000 18.173 0 130 MET   A HB3  1 c 
ATOM   280  H  HG2  . MET   A 1 18  ? -7.412  -11.774 7.311   1.000 19.516 0 130 MET   A HG2  1 c 
ATOM   281  H  HG3  . MET   A 1 18  ? -6.521  -13.094 7.366   1.000 19.463 0 130 MET   A HG3  1 c 
ATOM   282  H  HE1  . MET   A 1 18  ? -5.722  -11.803 3.863   1.000 23.615 0 130 MET   A HE1  1 c 
ATOM   283  H  HE2  . MET   A 1 18  ? -5.786  -11.048 5.262   1.000 23.470 0 130 MET   A HE2  1 c 
ATOM   284  H  HE3  . MET   A 1 18  ? -5.042  -12.452 5.148   1.000 23.610 0 130 MET   A HE3  1 c 
ATOM   285  N  N    . LEU   A 1 19  ? -7.915  -12.076 10.531  1.000 17.130 0 131 LEU   A N    1 ? 
ATOM   286  C  CA   . LEU   A 1 19  ? -8.000  -10.889 11.364  1.000 16.788 0 131 LEU   A CA   1 ? 
ATOM   287  C  C    . LEU   A 1 19  ? -6.957  -9.886  10.879  1.000 16.486 0 131 LEU   A C    1 ? 
ATOM   288  O  O    . LEU   A 1 19  ? -5.759  -10.154 10.951  1.000 18.583 0 131 LEU   A O    1 ? 
ATOM   289  C  CB   . LEU   A 1 19  ? -7.776  -11.281 12.822  1.000 18.121 0 131 LEU   A CB   1 ? 
ATOM   290  C  CG   . LEU   A 1 19  ? -7.737  -10.119 13.818  1.000 21.273 0 131 LEU   A CG   1 ? 
ATOM   291  C  CD1  . LEU   A 1 19  ? -9.073  -9.406  13.854  1.000 22.087 0 131 LEU   A CD1  1 ? 
ATOM   292  C  CD2  . LEU   A 1 19  ? -7.330  -10.588 15.204  1.000 23.385 0 131 LEU   A CD2  1 ? 
ATOM   293  H  H    . LEU   A 1 19  ? -7.142  -12.562 10.559  1.000 17.144 0 131 LEU   A H    1 c 
ATOM   294  H  HA   . LEU   A 1 19  ? -8.903  -10.495 11.266  1.000 16.967 0 131 LEU   A HA   1 c 
ATOM   295  H  HB2  . LEU   A 1 19  ? -8.496  -11.898 13.090  1.000 18.227 0 131 LEU   A HB2  1 c 
ATOM   296  H  HB3  . LEU   A 1 19  ? -6.923  -11.771 12.881  1.000 18.169 0 131 LEU   A HB3  1 c 
ATOM   297  H  HG   . LEU   A 1 19  ? -7.054  -9.469  13.509  1.000 21.051 0 131 LEU   A HG   1 c 
ATOM   298  H  HD11 . LEU   A 1 19  ? -9.242  -8.985  12.995  1.000 21.777 0 131 LEU   A HD11 1 c 
ATOM   299  H  HD12 . LEU   A 1 19  ? -9.059  -8.727  14.549  1.000 21.860 0 131 LEU   A HD12 1 c 
ATOM   300  H  HD13 . LEU   A 1 19  ? -9.779  -10.047 14.044  1.000 21.869 0 131 LEU   A HD13 1 c 
ATOM   301  H  HD21 . LEU   A 1 19  ? -6.447  -10.992 15.164  1.000 22.943 0 131 LEU   A HD21 1 c 
ATOM   302  H  HD22 . LEU   A 1 19  ? -7.971  -11.245 15.525  1.000 22.943 0 131 LEU   A HD22 1 c 
ATOM   303  H  HD23 . LEU   A 1 19  ? -7.312  -9.830  15.812  1.000 22.875 0 131 LEU   A HD23 1 c 
ATOM   304  N  N    . ILE   A 1 20  ? -7.434  -8.747  10.376  1.000 15.994 0 132 ILE   A N    1 ? 
ATOM   305  C  CA   . ILE   A 1 20  ? -6.590  -7.704  9.836   1.000 16.371 0 132 ILE   A CA   1 ? 
ATOM   306  C  C    . ILE   A 1 20  ? -6.506  -6.612  10.884  1.000 15.800 0 132 ILE   A C    1 ? 
ATOM   307  O  O    . ILE   A 1 20  ? -7.533  -6.140  11.350  1.000 17.837 0 132 ILE   A O    1 ? 
ATOM   308  C  CB   . ILE   A 1 20  ? -7.120  -7.203  8.487   1.000 18.669 0 132 ILE   A CB   1 ? 
ATOM   309  C  CG1  . ILE   A 1 20  ? -7.209  -8.364  7.494   1.000 21.773 0 132 ILE   A CG1  1 ? 
ATOM   310  C  CG2  . ILE   A 1 20  ? -6.249  -6.053  7.959   1.000 18.735 0 132 ILE   A CG2  1 ? 
ATOM   311  C  CD1  . ILE   A 1 20  ? -8.423  -8.352  6.605   1.000 23.768 0 132 ILE   A CD1  1 ? 
ATOM   312  H  H    . ILE   A 1 20  ? -8.338  -8.615  10.371  1.000 16.223 0 132 ILE   A H    1 c 
ATOM   313  H  HA   . ILE   A 1 20  ? -5.697  -8.071  9.694   1.000 16.462 0 132 ILE   A HA   1 c 
ATOM   314  H  HB   . ILE   A 1 20  ? -8.024  -6.858  8.629   1.000 18.556 0 132 ILE   A HB   1 c 
ATOM   315  H  HG12 . ILE   A 1 20  ? -6.412  -8.348  6.927   1.000 21.402 0 132 ILE   A HG12 1 c 
ATOM   316  H  HG13 . ILE   A 1 20  ? -7.199  -9.206  7.992   1.000 21.283 0 132 ILE   A HG13 1 c 
ATOM   317  H  HG21 . ILE   A 1 20  ? -6.562  -5.786  7.079   1.000 18.663 0 132 ILE   A HG21 1 c 
ATOM   318  H  HG22 . ILE   A 1 20  ? -5.324  -6.347  7.897   1.000 18.796 0 132 ILE   A HG22 1 c 
ATOM   319  H  HG23 . ILE   A 1 20  ? -6.306  -5.294  8.564   1.000 18.766 0 132 ILE   A HG23 1 c 
ATOM   320  H  HD11 . ILE   A 1 20  ? -9.232  -8.403  7.149   1.000 23.407 0 132 ILE   A HD11 1 c 
ATOM   321  H  HD12 . ILE   A 1 20  ? -8.395  -9.112  5.994   1.000 23.243 0 132 ILE   A HD12 1 c 
ATOM   322  H  HD13 . ILE   A 1 20  ? -8.428  -7.524  6.093   1.000 23.206 0 132 ILE   A HD13 1 c 
ATOM   323  N  N    . THR   A 1 21  ? -5.266  -6.252  11.248  1.000 16.259 0 133 THR   A N    1 ? 
ATOM   324  C  CA   . THR   A 1 21  ? -5.004  -5.233  12.254  1.000 16.432 0 133 THR   A CA   1 ? 
ATOM   325  C  C    . THR   A 1 21  ? -4.270  -4.049  11.620  1.000 16.255 0 133 THR   A C    1 ? 
ATOM   326  O  O    . THR   A 1 21  ? -3.203  -4.211  11.035  1.000 17.622 0 133 THR   A O    1 ? 
ATOM   327  C  CB   . THR   A 1 21  ? -4.226  -5.812  13.440  1.000 17.288 0 133 THR   A CB   1 ? 
ATOM   328  O  OG1  . THR   A 1 21  ? -4.980  -6.882  14.020  1.000 18.814 0 133 THR   A OG1  1 ? 
ATOM   329  C  CG2  . THR   A 1 21  ? -3.973  -4.752  14.502  1.000 18.404 0 133 THR   A CG2  1 ? 
ATOM   330  H  H    . THR   A 1 21  ? -4.553  -6.661  10.849  1.000 16.260 0 133 THR   A H    1 c 
ATOM   331  H  HA   . THR   A 1 21  ? -5.868  -4.918  12.593  1.000 16.541 0 133 THR   A HA   1 c 
ATOM   332  H  HB   . THR   A 1 21  ? -3.358  -6.161  13.124  1.000 17.431 0 133 THR   A HB   1 c 
ATOM   333  H  HG1  . THR   A 1 21  ? -5.762  -6.594  14.283  0.000 19.563 0 133 THR   A HG1  1 c 
ATOM   334  H  HG21 . THR   A 1 21  ? -3.539  -5.161  15.270  1.000 18.101 0 133 THR   A HG21 1 c 
ATOM   335  H  HG22 . THR   A 1 21  ? -4.819  -4.363  14.778  1.000 18.186 0 133 THR   A HG22 1 c 
ATOM   336  H  HG23 . THR   A 1 21  ? -3.399  -4.056  14.141  1.000 18.194 0 133 THR   A HG23 1 c 
ATOM   337  N  N    A ILE   A 1 22  ? -4.887  -2.860  11.717  0.500 15.188 0 134 ILE   A N    1 ? 
ATOM   338  N  N    B ILE   A 1 22  ? -4.864  -2.867  11.782  0.500 15.206 0 134 ILE   A N    1 ? 
ATOM   339  C  CA   A ILE   A 1 22  ? -4.308  -1.597  11.285  0.500 14.629 0 134 ILE   A CA   1 ? 
ATOM   340  C  CA   B ILE   A 1 22  ? -4.328  -1.614  11.296  0.500 14.790 0 134 ILE   A CA   1 ? 
ATOM   341  C  C    A ILE   A 1 22  ? -4.055  -0.747  12.522  0.500 14.828 0 134 ILE   A C    1 ? 
ATOM   342  C  C    B ILE   A 1 22  ? -4.059  -0.754  12.526  0.500 14.860 0 134 ILE   A C    1 ? 
ATOM   343  O  O    A ILE   A 1 22  ? -4.981  -0.382  13.239  0.500 16.387 0 134 ILE   A O    1 ? 
ATOM   344  O  O    B ILE   A 1 22  ? -4.964  -0.476  13.307  0.500 16.244 0 134 ILE   A O    1 ? 
ATOM   345  C  CB   A ILE   A 1 22  ? -5.213  -0.817  10.312  0.500 15.594 0 134 ILE   A CB   1 ? 
ATOM   346  C  CB   B ILE   A 1 22  ? -5.309  -0.949  10.309  0.500 16.138 0 134 ILE   A CB   1 ? 
ATOM   347  C  CG1  A ILE   A 1 22  ? -5.733  -1.693  9.177   0.500 17.013 0 134 ILE   A CG1  1 ? 
ATOM   348  C  CG1  B ILE   A 1 22  ? -5.641  -1.864  9.114   0.500 17.050 0 134 ILE   A CG1  1 ? 
ATOM   349  C  CG2  A ILE   A 1 22  ? -4.478  0.422   9.801   0.500 15.400 0 134 ILE   A CG2  1 ? 
ATOM   350  C  CG2  B ILE   A 1 22  ? -4.795  0.415   9.862   0.500 16.425 0 134 ILE   A CG2  1 ? 
ATOM   351  C  CD1  A ILE   A 1 22  ? -4.627  -2.332  8.359   0.500 17.963 0 134 ILE   A CD1  1 ? 
ATOM   352  C  CD1  B ILE   A 1 22  ? -7.019  -2.500  9.164   0.500 17.757 0 134 ILE   A CD1  1 ? 
ATOM   353  H  H    A ILE   A 1 22  ? -5.728  -2.841  12.075  0.500 15.233 0 134 ILE   A H    1 c 
ATOM   354  H  H    B ILE   A 1 22  ? -5.661  -2.843  12.230  0.500 15.271 0 134 ILE   A H    1 c 
ATOM   355  H  HA   A ILE   A 1 22  ? -3.457  -1.776  10.841  0.500 14.739 0 134 ILE   A HA   1 c 
ATOM   356  H  HA   B ILE   A 1 22  ? -3.486  -1.786  10.833  0.500 14.900 0 134 ILE   A HA   1 c 
ATOM   357  H  HB   A ILE   A 1 22  ? -5.990  -0.509  10.820  0.500 15.595 0 134 ILE   A HB   1 c 
ATOM   358  H  HB   B ILE   A 1 22  ? -6.145  -0.799  10.794  0.500 16.095 0 134 ILE   A HB   1 c 
ATOM   359  H  HG12 A ILE   A 1 22  ? -6.298  -2.398  9.554   0.500 16.848 0 134 ILE   A HG12 1 c 
ATOM   360  H  HG12 B ILE   A 1 22  ? -5.568  -1.340  8.290   0.500 17.008 0 134 ILE   A HG12 1 c 
ATOM   361  H  HG13 A ILE   A 1 22  ? -6.288  -1.146  8.585   0.500 16.895 0 134 ILE   A HG13 1 c 
ATOM   362  H  HG13 B ILE   A 1 22  ? -4.971  -2.577  9.073   0.500 17.046 0 134 ILE   A HG13 1 c 
ATOM   363  H  HG21 A ILE   A 1 22  ? -5.053  0.914   9.191   0.500 15.392 0 134 ILE   A HG21 1 c 
ATOM   364  H  HG21 B ILE   A 1 22  ? -5.431  0.816   9.245   0.500 16.343 0 134 ILE   A HG21 1 c 
ATOM   365  H  HG22 A ILE   A 1 22  ? -3.669  0.152   9.334   0.500 15.500 0 134 ILE   A HG22 1 c 
ATOM   366  H  HG22 B ILE   A 1 22  ? -3.937  0.310   9.418   0.500 16.399 0 134 ILE   A HG22 1 c 
ATOM   367  H  HG23 A ILE   A 1 22  ? -4.241  0.993   10.551  0.500 15.439 0 134 ILE   A HG23 1 c 
ATOM   368  H  HG23 B ILE   A 1 22  ? -4.689  0.993   10.636  0.500 16.369 0 134 ILE   A HG23 1 c 
ATOM   369  H  HD11 A ILE   A 1 22  ? -4.028  -1.638  8.027   0.500 17.834 0 134 ILE   A HD11 1 c 
ATOM   370  H  HD11 B ILE   A 1 22  ? -7.105  -3.036  9.974   0.500 17.626 0 134 ILE   A HD11 1 c 
ATOM   371  H  HD12 A ILE   A 1 22  ? -5.012  -2.817  7.606   0.500 17.750 0 134 ILE   A HD12 1 c 
ATOM   372  H  HD12 B ILE   A 1 22  ? -7.143  -3.071  8.382   0.500 17.623 0 134 ILE   A HD12 1 c 
ATOM   373  H  HD13 A ILE   A 1 22  ? -4.123  -2.951  8.920   0.500 17.720 0 134 ILE   A HD13 1 c 
ATOM   374  H  HD13 B ILE   A 1 22  ? -7.700  -1.801  9.164   0.500 17.585 0 134 ILE   A HD13 1 c 
ATOM   375  N  N    . LEU   A 1 23  ? -2.786  -0.398  12.719  1.000 14.774 0 135 LEU   A N    1 ? 
ATOM   376  C  CA   . LEU   A 1 23  ? -2.357  0.462   13.810  1.000 14.874 0 135 LEU   A CA   1 ? 
ATOM   377  C  C    . LEU   A 1 23  ? -1.893  1.790   13.229  1.000 14.991 0 135 LEU   A C    1 ? 
ATOM   378  O  O    . LEU   A 1 23  ? -1.140  1.832   12.261  1.000 15.512 0 135 LEU   A O    1 ? 
ATOM   379  C  CB   . LEU   A 1 23  ? -1.202  -0.183  14.576  1.000 16.013 0 135 LEU   A CB   1 ? 
ATOM   380  C  CG   . LEU   A 1 23  ? -1.524  -1.451  15.363  1.000 19.354 0 135 LEU   A CG   1 ? 
ATOM   381  C  CD1  . LEU   A 1 23  ? -0.285  -2.189  15.832  1.000 21.236 0 135 LEU   A CD1  1 ? 
ATOM   382  C  CD2  . LEU   A 1 23  ? -2.401  -1.073  16.537  1.000 20.243 0 135 LEU   A CD2  1 ? 
ATOM   383  H  H    . LEU   A 1 23  ? -2.147  -0.710  12.145  1.000 14.716 0 135 LEU   A H    1 c 
ATOM   384  H  HA   . LEU   A 1 23  ? -3.116  0.620   14.423  1.000 15.098 0 135 LEU   A HA   1 c 
ATOM   385  H  HB2  . LEU   A 1 23  ? -0.488  -0.392  13.931  1.000 16.019 0 135 LEU   A HB2  1 c 
ATOM   386  H  HB3  . LEU   A 1 23  ? -0.840  0.486   15.202  1.000 16.318 0 135 LEU   A HB3  1 c 
ATOM   387  H  HG   . LEU   A 1 23  ? -2.042  -2.059  14.774  1.000 18.752 0 135 LEU   A HG   1 c 
ATOM   388  H  HD11 . LEU   A 1 23  ? 0.237   -2.470  15.062  1.000 20.615 0 135 LEU   A HD11 1 c 
ATOM   389  H  HD12 . LEU   A 1 23  ? -0.547  -2.971  16.346  1.000 20.725 0 135 LEU   A HD12 1 c 
ATOM   390  H  HD13 . LEU   A 1 23  ? 0.252   -1.602  16.389  1.000 20.862 0 135 LEU   A HD13 1 c 
ATOM   391  H  HD21 . LEU   A 1 23  ? -3.233  -0.689  16.213  1.000 19.763 0 135 LEU   A HD21 1 c 
ATOM   392  H  HD22 . LEU   A 1 23  ? -1.939  -0.422  17.092  1.000 20.062 0 135 LEU   A HD22 1 c 
ATOM   393  H  HD23 . LEU   A 1 23  ? -2.597  -1.866  17.064  1.000 19.958 0 135 LEU   A HD23 1 c 
ATOM   394  N  N    . GLY   A 1 24  ? -2.299  2.875   13.868  1.000 15.431 0 136 GLY   A N    1 ? 
ATOM   395  C  CA   . GLY   A 1 24  ? -1.802  4.178   13.489  1.000 16.344 0 136 GLY   A CA   1 ? 
ATOM   396  C  C    . GLY   A 1 24  ? -2.224  5.244   14.492  1.000 17.375 0 136 GLY   A C    1 ? 
ATOM   397  O  O    . GLY   A 1 24  ? -2.693  4.935   15.589  1.000 19.848 0 136 GLY   A O    1 ? 
ATOM   398  H  H    . GLY   A 1 24  ? -2.899  2.808   14.554  1.000 15.498 0 136 GLY   A H    1 c 
ATOM   399  H  HA2  . GLY   A 1 24  ? -0.818  4.148   13.436  1.000 16.310 0 136 GLY   A HA2  1 c 
ATOM   400  H  HA3  . GLY   A 1 24  ? -2.150  4.408   12.596  1.000 16.358 0 136 GLY   A HA3  1 c 
ATOM   401  N  N    . THR   A 1 25  ? -2.048  6.495   14.083  1.000 17.262 0 137 THR   A N    1 ? 
ATOM   402  C  CA   . THR   A 1 25  ? -2.449  7.644   14.876  1.000 17.757 0 137 THR   A CA   1 ? 
ATOM   403  C  C    . THR   A 1 25  ? -3.226  8.583   13.962  1.000 17.269 0 137 THR   A C    1 ? 
ATOM   404  O  O    . THR   A 1 25  ? -2.808  8.848   12.835  1.000 18.182 0 137 THR   A O    1 ? 
ATOM   405  C  CB   . THR   A 1 25  ? -1.233  8.339   15.499  1.000 19.522 0 137 THR   A CB   1 ? 
ATOM   406  O  OG1  . THR   A 1 25  ? -0.536  7.397   16.314  1.000 21.720 0 137 THR   A OG1  1 ? 
ATOM   407  C  CG2  . THR   A 1 25  ? -1.607  9.527   16.373  1.000 20.272 0 137 THR   A CG2  1 ? 
ATOM   408  H  H    . THR   A 1 25  ? -1.656  6.642   13.271  1.000 17.300 0 137 THR   A H    1 c 
ATOM   409  H  HA   . THR   A 1 25  ? -3.041  7.340   15.595  1.000 17.844 0 137 THR   A HA   1 c 
ATOM   410  H  HB   . THR   A 1 25  ? -0.632  8.651   14.781  1.000 19.659 0 137 THR   A HB   1 c 
ATOM   411  H  HG1  . THR   A 1 25  ? -1.057  7.094   16.941  0.000 22.568 0 137 THR   A HG1  1 c 
ATOM   412  H  HG21 . THR   A 1 25  ? -0.802  9.906   16.765  1.000 20.083 0 137 THR   A HG21 1 c 
ATOM   413  H  HG22 . THR   A 1 25  ? -2.203  9.233   17.082  1.000 20.075 0 137 THR   A HG22 1 c 
ATOM   414  H  HG23 . THR   A 1 25  ? -2.052  10.202  15.835  1.000 20.091 0 137 THR   A HG23 1 c 
ATOM   415  N  N    . VAL   A 1 26  ? -4.384  9.055   14.437  1.000 16.706 0 138 VAL   A N    1 ? 
ATOM   416  C  CA   . VAL   A 1 26  ? -5.152  10.013  13.663  1.000 17.402 0 138 VAL   A CA   1 ? 
ATOM   417  C  C    . VAL   A 1 26  ? -4.414  11.348  13.694  1.000 17.531 0 138 VAL   A C    1 ? 
ATOM   418  O  O    . VAL   A 1 26  ? -3.965  11.780  14.749  1.000 20.205 0 138 VAL   A O    1 ? 
ATOM   419  C  CB   . VAL   A 1 26  ? -6.596  10.136  14.177  1.000 18.275 0 138 VAL   A CB   1 ? 
ATOM   420  C  CG1  . VAL   A 1 26  ? -7.418  11.114  13.341  1.000 19.434 0 138 VAL   A CG1  1 ? 
ATOM   421  C  CG2  . VAL   A 1 26  ? -7.275  8.778   14.233  1.000 19.908 0 138 VAL   A CG2  1 ? 
ATOM   422  H  H    . VAL   A 1 26  ? -4.691  8.788   15.255  1.000 17.021 0 138 VAL   A H    1 c 
ATOM   423  H  HA   . VAL   A 1 26  ? -5.185  9.700   12.738  1.000 17.434 0 138 VAL   A HA   1 c 
ATOM   424  H  HB   . VAL   A 1 26  ? -6.549  10.489  15.095  1.000 18.497 0 138 VAL   A HB   1 c 
ATOM   425  H  HG11 . VAL   A 1 26  ? -7.400  10.840  12.409  1.000 19.160 0 138 VAL   A HG11 1 c 
ATOM   426  H  HG12 . VAL   A 1 26  ? -7.044  12.006  13.422  1.000 19.234 0 138 VAL   A HG12 1 c 
ATOM   427  H  HG13 . VAL   A 1 26  ? -8.336  11.120  13.659  1.000 19.260 0 138 VAL   A HG13 1 c 
ATOM   428  H  HG21 . VAL   A 1 26  ? -8.201  8.889   14.506  1.000 19.492 0 138 VAL   A HG21 1 c 
ATOM   429  H  HG22 . VAL   A 1 26  ? -6.817  8.211   14.874  1.000 19.512 0 138 VAL   A HG22 1 c 
ATOM   430  H  HG23 . VAL   A 1 26  ? -7.245  8.363   13.355  1.000 19.533 0 138 VAL   A HG23 1 c 
ATOM   431  N  N    . LYS   A 1 27  ? -4.311  12.000  12.537  1.000 18.318 0 139 LYS   A N    1 ? 
ATOM   432  C  CA   . LYS   A 1 27  ? -3.655  13.295  12.476  1.000 19.971 0 139 LYS   A CA   1 ? 
ATOM   433  C  C    . LYS   A 1 27  ? -4.456  14.318  13.277  1.000 21.211 0 139 LYS   A C    1 ? 
ATOM   434  O  O    . LYS   A 1 27  ? -5.652  14.165  13.477  1.000 19.825 0 139 LYS   A O    1 ? 
ATOM   435  C  CB   . LYS   A 1 27  ? -3.479  13.772  11.033  1.000 21.624 0 139 LYS   A CB   1 ? 
ATOM   436  C  CG   . LYS   A 1 27  ? -2.475  12.955  10.252  1.000 25.188 0 139 LYS   A CG   1 ? 
ATOM   437  C  CD   . LYS   A 1 27  ? -2.165  13.497  8.866   1.000 29.522 0 139 LYS   A CD   1 ? 
ATOM   438  C  CE   . LYS   A 1 27  ? -1.032  12.773  8.220   1.000 32.907 0 139 LYS   A CE   1 ? 
ATOM   439  N  NZ   . LYS   A 1 27  ? -0.943  13.132  6.802   1.000 36.489 0 139 LYS   A NZ   1 ? 
ATOM   440  H  H    . LYS   A 1 27  ? -4.653  11.636  11.772  1.000 18.411 0 139 LYS   A H    1 c 
ATOM   441  H  HA   . LYS   A 1 27  ? -2.759  13.203  12.886  1.000 20.214 0 139 LYS   A HA   1 c 
ATOM   442  H  HB2  . LYS   A 1 27  ? -4.345  13.728  10.574  1.000 21.538 0 139 LYS   A HB2  1 c 
ATOM   443  H  HB3  . LYS   A 1 27  ? -3.187  14.708  11.038  1.000 21.737 0 139 LYS   A HB3  1 c 
ATOM   444  H  HG2  . LYS   A 1 27  ? -1.641  12.912  10.769  1.000 25.135 0 139 LYS   A HG2  1 c 
ATOM   445  H  HG3  . LYS   A 1 27  ? -2.818  12.039  10.167  1.000 24.890 0 139 LYS   A HG3  1 c 
ATOM   446  H  HD2  . LYS   A 1 27  ? -2.965  13.411  8.302   1.000 28.958 0 139 LYS   A HD2  1 c 
ATOM   447  H  HD3  . LYS   A 1 27  ? -1.941  14.450  8.935   1.000 29.043 0 139 LYS   A HD3  1 c 
ATOM   448  H  HE2  . LYS   A 1 27  ? -0.197  13.007  8.662   1.000 32.799 0 139 LYS   A HE2  1 c 
ATOM   449  H  HE3  . LYS   A 1 27  ? -1.165  11.812  8.301   1.000 32.672 0 139 LYS   A HE3  1 c 
ATOM   450  H  HZ1  . LYS   A 1 27  ? -0.831  14.026  6.717   1.000 35.547 0 139 LYS   A HZ1  1 c 
ATOM   451  H  HZ2  . LYS   A 1 27  ? -1.703  12.885  6.375   1.000 35.558 0 139 LYS   A HZ2  1 c 
ATOM   452  H  HZ3  . LYS   A 1 27  ? -0.239  12.706  6.424   1.000 35.711 0 139 LYS   A HZ3  1 c 
ATOM   453  N  N    . PRO   A 1 28  ? -3.825  15.406  13.761  1.000 25.282 0 140 PRO   A N    1 ? 
ATOM   454  C  CA   . PRO   A 1 28  ? -4.590  16.523  14.314  1.000 27.385 0 140 PRO   A CA   1 ? 
ATOM   455  C  C    . PRO   A 1 28  ? -5.443  17.124  13.194  1.000 28.677 0 140 PRO   A C    1 ? 
ATOM   456  O  O    . PRO   A 1 28  ? -5.035  17.140  12.036  1.000 30.829 0 140 PRO   A O    1 ? 
ATOM   457  C  CB   . PRO   A 1 28  ? -3.495  17.460  14.842  1.000 28.715 0 140 PRO   A CB   1 ? 
ATOM   458  C  CG   . PRO   A 1 28  ? -2.273  17.109  14.026  1.000 29.797 0 140 PRO   A CG   1 ? 
ATOM   459  C  CD   . PRO   A 1 28  ? -2.370  15.622  13.770  1.000 27.385 0 140 PRO   A CD   1 ? 
ATOM   460  H  HA   . PRO   A 1 28  ? -5.161  16.208  15.059  1.000 27.377 0 140 PRO   A HA   1 c 
ATOM   461  H  HB2  . PRO   A 1 28  ? -3.747  18.404  14.711  1.000 28.749 0 140 PRO   A HB2  1 c 
ATOM   462  H  HB3  . PRO   A 1 28  ? -3.333  17.304  15.802  1.000 28.670 0 140 PRO   A HB3  1 c 
ATOM   463  H  HG2  . PRO   A 1 28  ? -2.269  17.604  13.180  1.000 29.101 0 140 PRO   A HG2  1 c 
ATOM   464  H  HG3  . PRO   A 1 28  ? -1.453  17.323  14.519  1.000 29.303 0 140 PRO   A HG3  1 c 
ATOM   465  H  HD2  . PRO   A 1 28  ? -1.965  15.385  12.907  1.000 27.181 0 140 PRO   A HD2  1 c 
ATOM   466  H  HD3  . PRO   A 1 28  ? -1.938  15.109  14.489  1.000 27.315 0 140 PRO   A HD3  1 c 
ATOM   467  N  N    . ASN   A 1 29  ? -6.657  17.567  13.520  1.000 30.525 0 141 ASN   A N    1 ? 
ATOM   468  C  CA   . ASN   A 1 29  ? -7.532  18.208  12.543  1.000 31.573 0 141 ASN   A CA   1 ? 
ATOM   469  C  C    . ASN   A 1 29  ? -7.886  17.261  11.395  1.000 27.898 0 141 ASN   A C    1 ? 
ATOM   470  O  O    . ASN   A 1 29  ? -8.074  17.691  10.257  1.000 27.437 0 141 ASN   A O    1 ? 
ATOM   471  C  CB   . ASN   A 1 29  ? -6.931  19.483  11.953  1.000 35.179 0 141 ASN   A CB   1 ? 
ATOM   472  C  CG   . ASN   A 1 29  ? -6.434  20.445  13.005  1.000 40.568 0 141 ASN   A CG   1 ? 
ATOM   473  O  OD1  . ASN   A 1 29  ? -7.101  20.653  14.026  1.000 44.484 0 141 ASN   A OD1  1 ? 
ATOM   474  N  ND2  . ASN   A 1 29  ? -5.272  21.039  12.774  1.000 44.773 0 141 ASN   A ND2  1 ? 
ATOM   475  H  H    . ASN   A 1 29  ? -6.954  17.470  14.379  1.000 30.378 0 141 ASN   A H    1 c 
ATOM   476  H  HA   . ASN   A 1 29  ? -8.365  18.461  13.002  1.000 31.289 0 141 ASN   A HA   1 c 
ATOM   477  H  HB2  . ASN   A 1 29  ? -6.188  19.243  11.364  1.000 35.206 0 141 ASN   A HB2  1 c 
ATOM   478  H  HB3  . ASN   A 1 29  ? -7.609  19.932  11.410  1.000 35.214 0 141 ASN   A HB3  1 c 
ATOM   479  H  HD21 . ASN   A 1 29  ? -4.848  20.911  12.005  1.000 43.495 0 141 ASN   A HD21 1 c 
ATOM   480  H  HD22 . ASN   A 1 29  ? -4.919  21.570  13.390  1.000 43.837 0 141 ASN   A HD22 1 c 
ATOM   481  N  N    . ALA   A 1 30  ? -7.998  15.966  11.694  1.000 25.252 0 142 ALA   A N    1 ? 
ATOM   482  C  CA   . ALA   A 1 30  ? -8.367  14.983  10.688  1.000 22.520 0 142 ALA   A CA   1 ? 
ATOM   483  C  C    . ALA   A 1 30  ? -9.753  15.282  10.113  1.000 20.483 0 142 ALA   A C    1 ? 
ATOM   484  O  O    . ALA   A 1 30  ? -10.638 15.745  10.832  1.000 21.986 0 142 ALA   A O    1 ? 
ATOM   485  C  CB   . ALA   A 1 30  ? -8.352  13.600  11.294  1.000 21.996 0 142 ALA   A CB   1 ? 
ATOM   486  H  H    . ALA   A 1 30  ? -7.853  15.686  12.551  1.000 25.064 0 142 ALA   A H    1 c 
ATOM   487  H  HA   . ALA   A 1 30  ? -7.701  15.026  9.948   1.000 22.451 0 142 ALA   A HA   1 c 
ATOM   488  H  HB1  . ALA   A 1 30  ? -7.457  13.394  11.613  1.000 21.959 0 142 ALA   A HB1  1 c 
ATOM   489  H  HB2  . ALA   A 1 30  ? -8.975  13.563  12.040  1.000 22.105 0 142 ALA   A HB2  1 c 
ATOM   490  H  HB3  . ALA   A 1 30  ? -8.613  12.946  10.625  1.000 22.101 0 142 ALA   A HB3  1 c 
ATOM   491  N  N    . ASN   A 1 31  ? -9.941  14.970  8.822   1.000 19.726 0 143 ASN   A N    1 ? 
ATOM   492  C  CA   . ASN   A 1 31  ? -11.241 15.072  8.171   1.000 20.721 0 143 ASN   A CA   1 ? 
ATOM   493  C  C    . ASN   A 1 31  ? -11.845 13.701  7.862   1.000 18.766 0 143 ASN   A C    1 ? 
ATOM   494  O  O    . ASN   A 1 31  ? -13.067 13.528  7.966   1.000 19.760 0 143 ASN   A O    1 ? 
ATOM   495  C  CB   . ASN   A 1 31  ? -11.160 15.872  6.873   1.000 23.665 0 143 ASN   A CB   1 ? 
ATOM   496  C  CG   . ASN   A 1 31  ? -10.930 17.341  7.124   1.000 28.474 0 143 ASN   A CG   1 ? 
ATOM   497  O  OD1  . ASN   A 1 31  ? -11.712 17.972  7.841   1.000 34.425 0 143 ASN   A OD1  1 ? 
ATOM   498  N  ND2  . ASN   A 1 31  ? -9.888  17.907  6.537   1.000 31.890 0 143 ASN   A ND2  1 ? 
ATOM   499  H  H    . ASN   A 1 31  ? -9.225  14.695  8.325   1.000 20.020 0 143 ASN   A H    1 c 
ATOM   500  H  HA   . ASN   A 1 31  ? -11.855 15.549  8.774   1.000 20.628 0 143 ASN   A HA   1 c 
ATOM   501  H  HB2  . ASN   A 1 31  ? -10.431 15.520  6.325   1.000 23.650 0 143 ASN   A HB2  1 c 
ATOM   502  H  HB3  . ASN   A 1 31  ? -11.994 15.760  6.375   1.000 23.651 0 143 ASN   A HB3  1 c 
ATOM   503  H  HD21 . ASN   A 1 31  ? -9.348  17.428  6.022   1.000 30.903 0 143 ASN   A HD21 1 c 
ATOM   504  H  HD22 . ASN   A 1 31  ? -9.729  18.771  6.661   1.000 30.908 0 143 ASN   A HD22 1 c 
ATOM   505  N  N    . ARG   A 1 32  ? -11.007 12.741  7.459   1.000 16.890 0 144 ARG   A N    1 ? 
ATOM   506  C  CA   . ARG   A 1 32  ? -11.504 11.465  6.963   1.000 18.148 0 144 ARG   A CA   1 ? 
ATOM   507  C  C    . ARG   A 1 32  ? -10.427 10.391  7.066   1.000 17.217 0 144 ARG   A C    1 ? 
ATOM   508  O  O    . ARG   A 1 32  ? -9.243  10.717  7.047   1.000 19.373 0 144 ARG   A O    1 ? 
ATOM   509  C  CB   . ARG   A 1 32  ? -11.908 11.622  5.493   1.000 19.896 0 144 ARG   A CB   1 ? 
ATOM   510  C  CG   . ARG   A 1 32  ? -10.805 12.132  4.577   1.000 23.331 0 144 ARG   A CG   1 ? 
ATOM   511  C  CD   . ARG   A 1 32  ? -11.266 12.439  3.159   1.000 27.041 0 144 ARG   A CD   1 ? 
ATOM   512  N  NE   . ARG   A 1 32  ? -10.112 12.761  2.311   1.000 31.500 0 144 ARG   A NE   1 ? 
ATOM   513  C  CZ   . ARG   A 1 32  ? -10.139 12.968  1.000   1.000 33.562 0 144 ARG   A CZ   1 ? 
ATOM   514  N  NH1  . ARG   A 1 32  ? -11.286 12.963  0.338   1.000 32.628 0 144 ARG   A NH1  1 ? 
ATOM   515  N  NH2  . ARG   A 1 32  ? -9.001  13.171  0.355   1.000 36.512 0 144 ARG   A NH2  1 ? 
ATOM   516  H  H    . ARG   A 1 32  ? -10.105 12.883  7.487   1.000 17.091 0 144 ARG   A H    1 c 
ATOM   517  H  HA   . ARG   A 1 32  ? -12.288 11.196  7.503   1.000 17.998 0 144 ARG   A HA   1 c 
ATOM   518  H  HB2  . ARG   A 1 32  ? -12.215 10.752  5.160   1.000 19.821 0 144 ARG   A HB2  1 c 
ATOM   519  H  HB3  . ARG   A 1 32  ? -12.667 12.242  5.443   1.000 19.994 0 144 ARG   A HB3  1 c 
ATOM   520  H  HG2  . ARG   A 1 32  ? -10.418 12.946  4.965   1.000 23.032 0 144 ARG   A HG2  1 c 
ATOM   521  H  HG3  . ARG   A 1 32  ? -10.090 11.460  4.535   1.000 22.964 0 144 ARG   A HG3  1 c 
ATOM   522  H  HD2  . ARG   A 1 32  ? -11.737 11.666  2.788   1.000 26.833 0 144 ARG   A HD2  1 c 
ATOM   523  H  HD3  . ARG   A 1 32  ? -11.883 13.199  3.170   1.000 26.737 0 144 ARG   A HD3  1 c 
ATOM   524  H  HE   . ARG   A 1 32  ? -9.336  12.823  2.703   1.000 30.899 0 144 ARG   A HE   1 c 
ATOM   525  H  HH11 . ARG   A 1 32  ? -11.294 12.739  -0.521  1.000 32.864 0 144 ARG   A HH11 1 c 
ATOM   526  H  HH12 . ARG   A 1 32  ? -12.039 13.185  0.749   1.000 32.858 0 144 ARG   A HH12 1 c 
ATOM   527  H  HH21 . ARG   A 1 32  ? -9.014  13.367  -0.507  1.000 35.712 0 144 ARG   A HH21 1 c 
ATOM   528  H  HH22 . ARG   A 1 32  ? -8.230  13.111  0.785   1.000 35.815 0 144 ARG   A HH22 1 c 
ATOM   529  N  N    . ILE   A 1 33  ? -10.874 9.137   7.150   1.000 16.001 0 145 ILE   A N    1 ? 
ATOM   530  C  CA   . ILE   A 1 33  ? -10.050 7.947   7.038   1.000 16.132 0 145 ILE   A CA   1 ? 
ATOM   531  C  C    . ILE   A 1 33  ? -10.777 6.998   6.093   1.000 14.941 0 145 ILE   A C    1 ? 
ATOM   532  O  O    . ILE   A 1 33  ? -12.002 6.994   6.112   1.000 15.066 0 145 ILE   A O    1 ? 
ATOM   533  C  CB   . ILE   A 1 33  ? -9.863  7.293   8.418   1.000 19.588 0 145 ILE   A CB   1 ? 
ATOM   534  C  CG1  . ILE   A 1 33  ? -9.255  8.265   9.432   1.000 20.537 0 145 ILE   A CG1  1 ? 
ATOM   535  C  CG2  . ILE   A 1 33  ? -9.057  5.996   8.307   1.000 20.360 0 145 ILE   A CG2  1 ? 
ATOM   536  C  CD1  . ILE   A 1 33  ? -9.346  7.776   10.866  1.000 21.126 0 145 ILE   A CD1  1 ? 
ATOM   537  H  H    . ILE   A 1 33  ? -11.769 9.018   7.291   1.000 16.189 0 145 ILE   A H    1 c 
ATOM   538  H  HA   . ILE   A 1 33  ? -9.178  8.182   6.664   1.000 16.315 0 145 ILE   A HA   1 c 
ATOM   539  H  HB   . ILE   A 1 33  ? -10.752 7.055   8.746   1.000 19.252 0 145 ILE   A HB   1 c 
ATOM   540  H  HG12 . ILE   A 1 33  ? -8.315  8.412   9.205   1.000 20.403 0 145 ILE   A HG12 1 c 
ATOM   541  H  HG13 . ILE   A 1 33  ? -9.718  9.124   9.365   1.000 20.451 0 145 ILE   A HG13 1 c 
ATOM   542  H  HG21 . ILE   A 1 33  ? -8.920  5.618   9.191   1.000 20.148 0 145 ILE   A HG21 1 c 
ATOM   543  H  HG22 . ILE   A 1 33  ? -8.194  6.182   7.900   1.000 20.247 0 145 ILE   A HG22 1 c 
ATOM   544  H  HG23 . ILE   A 1 33  ? -9.540  5.355   7.759   1.000 20.170 0 145 ILE   A HG23 1 c 
ATOM   545  H  HD11 . ILE   A 1 33  ? -10.278 7.593   11.091  1.000 21.044 0 145 ILE   A HD11 1 c 
ATOM   546  H  HD12 . ILE   A 1 33  ? -8.998  8.464   11.465  1.000 20.981 0 145 ILE   A HD12 1 c 
ATOM   547  H  HD13 . ILE   A 1 33  ? -8.821  6.960   10.974  1.000 20.991 0 145 ILE   A HD13 1 c 
ATOM   548  N  N    . ALA   A 1 34  ? -10.065 6.209   5.289   1.000 15.724 0 146 ALA   A N    1 ? 
ATOM   549  C  CA   . ALA   A 1 34  ? -10.725 5.177   4.504   1.000 15.396 0 146 ALA   A CA   1 ? 
ATOM   550  C  C    . ALA   A 1 34  ? -9.911  3.889   4.478   1.000 14.590 0 146 ALA   A C    1 ? 
ATOM   551  O  O    . ALA   A 1 34  ? -8.697  3.888   4.270   1.000 16.243 0 146 ALA   A O    1 ? 
ATOM   552  C  CB   . ALA   A 1 34  ? -10.971 5.646   3.095   1.000 16.113 0 146 ALA   A CB   1 ? 
ATOM   553  H  H    . ALA   A 1 34  ? -9.159  6.311   5.227   1.000 15.622 0 146 ALA   A H    1 c 
ATOM   554  H  HA   . ALA   A 1 34  ? -11.600 4.978   4.931   1.000 15.328 0 146 ALA   A HA   1 c 
ATOM   555  H  HB1  . ALA   A 1 34  ? -11.538 6.436   3.108   1.000 15.953 0 146 ALA   A HB1  1 c 
ATOM   556  H  HB2  . ALA   A 1 34  ? -10.126 5.865   2.670   1.000 16.048 0 146 ALA   A HB2  1 c 
ATOM   557  H  HB3  . ALA   A 1 34  ? -11.413 4.944   2.588   1.000 15.985 0 146 ALA   A HB3  1 c 
ATOM   558  N  N    . LEU   A 1 35  ? -10.628 2.778   4.658   1.000 14.613 0 147 LEU   A N    1 ? 
ATOM   559  C  CA   . LEU   A 1 35  ? -10.155 1.446   4.320   1.000 14.592 0 147 LEU   A CA   1 ? 
ATOM   560  C  C    . LEU   A 1 35  ? -10.967 0.976   3.118   1.000 14.138 0 147 LEU   A C    1 ? 
ATOM   561  O  O    . LEU   A 1 35  ? -12.197 1.051   3.147   1.000 14.723 0 147 LEU   A O    1 ? 
ATOM   562  C  CB   . LEU   A 1 35  ? -10.346 0.461   5.465   1.000 16.210 0 147 LEU   A CB   1 ? 
ATOM   563  C  CG   . LEU   A 1 35  ? -9.679  0.783   6.801   1.000 19.896 0 147 LEU   A CG   1 ? 
ATOM   564  C  CD1  . LEU   A 1 35  ? -9.930  -0.364  7.774   1.000 21.159 0 147 LEU   A CD1  1 ? 
ATOM   565  C  CD2  . LEU   A 1 35  ? -8.226  1.049   6.706   1.000 21.537 0 147 LEU   A CD2  1 ? 
ATOM   566  H  H    . LEU   A 1 35  ? -11.464 2.856   5.019   1.000 14.682 0 147 LEU   A H    1 c 
ATOM   567  H  HA   . LEU   A 1 35  ? -9.199  1.494   4.077   1.000 14.764 0 147 LEU   A HA   1 c 
ATOM   568  H  HB2  . LEU   A 1 35  ? -11.313 0.363   5.623   1.000 16.130 0 147 LEU   A HB2  1 c 
ATOM   569  H  HB3  . LEU   A 1 35  ? -10.021 -0.418  5.165   1.000 16.233 0 147 LEU   A HB3  1 c 
ATOM   570  H  HG   . LEU   A 1 35  ? -10.112 1.594   7.172   1.000 19.477 0 147 LEU   A HG   1 c 
ATOM   571  H  HD11 . LEU   A 1 35  ? -10.886 -0.476  7.905   1.000 20.927 0 147 LEU   A HD11 1 c 
ATOM   572  H  HD12 . LEU   A 1 35  ? -9.508  -0.166  8.626   1.000 20.831 0 147 LEU   A HD12 1 c 
ATOM   573  H  HD13 . LEU   A 1 35  ? -9.556  -1.185  7.412   1.000 20.919 0 147 LEU   A HD13 1 c 
ATOM   574  H  HD21 . LEU   A 1 35  ? -8.074  1.829   6.146   1.000 20.964 0 147 LEU   A HD21 1 c 
ATOM   575  H  HD22 . LEU   A 1 35  ? -7.780  0.279   6.316   1.000 21.171 0 147 LEU   A HD22 1 c 
ATOM   576  H  HD23 . LEU   A 1 35  ? -7.867  1.215   7.594   1.000 21.095 0 147 LEU   A HD23 1 c 
ATOM   577  N  N    . ASP   A 1 36  ? -10.296 0.406   2.112   1.000 13.939 0 148 ASP   A N    1 ? 
ATOM   578  C  CA   . ASP   A 1 36  ? -10.942 -0.068  0.894   1.000 14.377 0 148 ASP   A CA   1 ? 
ATOM   579  C  C    . ASP   A 1 36  ? -10.506 -1.500  0.597   1.000 13.832 0 148 ASP   A C    1 ? 
ATOM   580  O  O    . ASP   A 1 36  ? -9.396  -1.719  0.123   1.000 14.706 0 148 ASP   A O    1 ? 
ATOM   581  C  CB   . ASP   A 1 36  ? -10.604 0.849   -0.269  1.000 14.763 0 148 ASP   A CB   1 ? 
ATOM   582  C  CG   . ASP   A 1 36  ? -11.305 2.194   -0.202  1.000 17.346 0 148 ASP   A CG   1 ? 
ATOM   583  O  OD1  . ASP   A 1 36  ? -12.503 2.210   -0.522  1.000 19.704 0 148 ASP   A OD1  1 ? 
ATOM   584  O  OD2  . ASP   A 1 36  ? -10.654 3.182   0.212   1.000 21.449 0 148 ASP   A OD2  1 ? 
ATOM   585  H  H    . ASP   A 1 36  ? -9.391  0.306   2.190   1.000 13.920 0 148 ASP   A H    1 c 
ATOM   586  H  HA   . ASP   A 1 36  ? -11.916 -0.054  1.025   1.000 14.341 0 148 ASP   A HA   1 c 
ATOM   587  H  HB2  . ASP   A 1 36  ? -9.636  1.003   -0.284  1.000 14.967 0 148 ASP   A HB2  1 c 
ATOM   588  H  HB3  . ASP   A 1 36  ? -10.856 0.411   -1.109  1.000 15.031 0 148 ASP   A HB3  1 c 
ATOM   589  N  N    . PHE   A 1 37  ? -11.358 -2.480  0.904   1.000 13.043 0 149 PHE   A N    1 ? 
ATOM   590  C  CA   . PHE   A 1 37  ? -11.133 -3.859  0.512   1.000 13.100 0 149 PHE   A CA   1 ? 
ATOM   591  C  C    . PHE   A 1 37  ? -11.536 -4.002  -0.940  1.000 13.145 0 149 PHE   A C    1 ? 
ATOM   592  O  O    . PHE   A 1 37  ? -12.718 -3.873  -1.234  1.000 14.286 0 149 PHE   A O    1 ? 
ATOM   593  C  CB   . PHE   A 1 37  ? -11.922 -4.831  1.386   1.000 13.881 0 149 PHE   A CB   1 ? 
ATOM   594  C  CG   . PHE   A 1 37  ? -11.372 -4.937  2.796   1.000 15.362 0 149 PHE   A CG   1 ? 
ATOM   595  C  CD1  . PHE   A 1 37  ? -11.786 -4.055  3.792   1.000 15.926 0 149 PHE   A CD1  1 ? 
ATOM   596  C  CD2  . PHE   A 1 37  ? -10.496 -5.958  3.125   1.000 16.498 0 149 PHE   A CD2  1 ? 
ATOM   597  C  CE1  . PHE   A 1 37  ? -11.279 -4.161  5.078   1.000 16.974 0 149 PHE   A CE1  1 ? 
ATOM   598  C  CE2  . PHE   A 1 37  ? -10.010 -6.065  4.414   1.000 17.908 0 149 PHE   A CE2  1 ? 
ATOM   599  C  CZ   . PHE   A 1 37  ? -10.381 -5.169  5.379   1.000 18.463 0 149 PHE   A CZ   1 ? 
ATOM   600  H  H    . PHE   A 1 37  ? -12.112 -2.279  1.380   1.000 13.158 0 149 PHE   A H    1 c 
ATOM   601  H  HA   . PHE   A 1 37  ? -10.165 -4.064  0.602   1.000 13.101 0 149 PHE   A HA   1 c 
ATOM   602  H  HB2  . PHE   A 1 37  ? -12.857 -4.531  1.428   1.000 13.988 0 149 PHE   A HB2  1 c 
ATOM   603  H  HB3  . PHE   A 1 37  ? -11.902 -5.719  0.968   1.000 13.937 0 149 PHE   A HB3  1 c 
ATOM   604  H  HD1  . PHE   A 1 37  ? -12.383 -3.356  3.578   1.000 16.072 0 149 PHE   A HD1  1 c 
ATOM   605  H  HD2  . PHE   A 1 37  ? -10.219 -6.571  2.463   1.000 16.503 0 149 PHE   A HD2  1 c 
ATOM   606  H  HE1  . PHE   A 1 37  ? -11.547 -3.549  5.744   1.000 16.943 0 149 PHE   A HE1  1 c 
ATOM   607  H  HE2  . PHE   A 1 37  ? -9.398  -6.747  4.620   1.000 17.670 0 149 PHE   A HE2  1 c 
ATOM   608  H  HZ   . PHE   A 1 37  ? -10.047 -5.257  6.258   1.000 17.915 0 149 PHE   A HZ   1 c 
ATOM   609  N  N    . GLN   A 1 38  ? -10.584 -4.276  -1.834  1.000 13.029 0 150 GLN   A N    1 ? 
ATOM   610  C  CA   . GLN   A 1 38  ? -10.815 -4.226  -3.268  1.000 14.105 0 150 GLN   A CA   1 ? 
ATOM   611  C  C    . GLN   A 1 38  ? -10.837 -5.615  -3.898  1.000 14.333 0 150 GLN   A C    1 ? 
ATOM   612  O  O    . GLN   A 1 38  ? -10.010 -6.465  -3.579  1.000 15.914 0 150 GLN   A O    1 ? 
ATOM   613  C  CB   . GLN   A 1 38  ? -9.694  -3.433  -3.941  1.000 17.330 0 150 GLN   A CB   1 ? 
ATOM   614  C  CG   . GLN   A 1 38  ? -9.616  -1.978  -3.481  1.000 21.565 0 150 GLN   A CG   1 ? 
ATOM   615  C  CD   . GLN   A 1 38  ? -10.123 -0.952  -4.473  1.000 25.658 0 150 GLN   A CD   1 ? 
ATOM   616  O  OE1  . GLN   A 1 38  ? -10.627 -1.250  -5.566  1.000 32.681 0 150 GLN   A OE1  1 ? 
ATOM   617  N  NE2  . GLN   A 1 38  ? -9.946  0.305   -4.100  1.000 29.307 0 150 GLN   A NE2  1 ? 
ATOM   618  H  H    . GLN   A 1 38  ? -9.751  -4.506  -1.535  1.000 13.259 0 150 GLN   A H    1 c 
ATOM   619  H  HA   . GLN   A 1 38  ? -11.679 -3.776  -3.436  1.000 14.122 0 150 GLN   A HA   1 c 
ATOM   620  H  HB2  . GLN   A 1 38  ? -8.840  -3.873  -3.748  1.000 17.214 0 150 GLN   A HB2  1 c 
ATOM   621  H  HB3  . GLN   A 1 38  ? -9.827  -3.458  -4.912  1.000 17.092 0 150 GLN   A HB3  1 c 
ATOM   622  H  HG2  . GLN   A 1 38  ? -10.133 -1.878  -2.653  1.000 20.986 0 150 GLN   A HG2  1 c 
ATOM   623  H  HG3  . GLN   A 1 38  ? -8.683  -1.762  -3.270  1.000 21.217 0 150 GLN   A HG3  1 c 
ATOM   624  H  HE21 . GLN   A 1 38  ? -9.561  0.489   -3.322  1.000 28.236 0 150 GLN   A HE21 1 c 
ATOM   625  H  HE22 . GLN   A 1 38  ? -10.213 0.964   -4.630  1.000 28.420 0 150 GLN   A HE22 1 c 
ATOM   626  N  N    . ARG   A 1 39  ? -11.764 -5.787  -4.841  1.000 13.628 0 151 ARG   A N    1 ? 
ATOM   627  C  CA   . ARG   A 1 39  ? -11.791 -6.902  -5.779  1.000 13.434 0 151 ARG   A CA   1 ? 
ATOM   628  C  C    . ARG   A 1 39  ? -11.627 -6.301  -7.168  1.000 13.466 0 151 ARG   A C    1 ? 
ATOM   629  O  O    . ARG   A 1 39  ? -12.602 -5.852  -7.771  1.000 14.597 0 151 ARG   A O    1 ? 
ATOM   630  C  CB   . ARG   A 1 39  ? -13.130 -7.650  -5.679  1.000 14.830 0 151 ARG   A CB   1 ? 
ATOM   631  C  CG   . ARG   A 1 39  ? -13.252 -8.750  -6.727  1.000 16.196 0 151 ARG   A CG   1 ? 
ATOM   632  C  CD   . ARG   A 1 39  ? -14.501 -9.600  -6.562  1.000 18.362 0 151 ARG   A CD   1 ? 
ATOM   633  N  NE   . ARG   A 1 39  ? -14.636 -10.535 -7.684  1.000 19.449 0 151 ARG   A NE   1 ? 
ATOM   634  C  CZ   . ARG   A 1 39  ? -15.492 -10.448 -8.691  1.000 20.948 0 151 ARG   A CZ   1 ? 
ATOM   635  N  NH1  . ARG   A 1 39  ? -16.440 -9.528  -8.701  1.000 21.813 0 151 ARG   A NH1  1 ? 
ATOM   636  N  NH2  . ARG   A 1 39  ? -15.401 -11.307 -9.688  1.000 23.536 0 151 ARG   A NH2  1 ? 
ATOM   637  H  H    . ARG   A 1 39  ? -12.430 -5.164  -4.904  1.000 13.722 0 151 ARG   A H    1 c 
ATOM   638  H  HA   . ARG   A 1 39  ? -11.036 -7.512  -5.587  1.000 13.654 0 151 ARG   A HA   1 c 
ATOM   639  H  HB2  . ARG   A 1 39  ? -13.211 -8.047  -4.786  1.000 14.744 0 151 ARG   A HB2  1 c 
ATOM   640  H  HB3  . ARG   A 1 39  ? -13.867 -7.012  -5.794  1.000 14.785 0 151 ARG   A HB3  1 c 
ATOM   641  H  HG2  . ARG   A 1 39  ? -13.265 -8.346  -7.621  1.000 16.220 0 151 ARG   A HG2  1 c 
ATOM   642  H  HG3  . ARG   A 1 39  ? -12.463 -9.331  -6.674  1.000 16.229 0 151 ARG   A HG3  1 c 
ATOM   643  H  HD2  . ARG   A 1 39  ? -14.440 -10.106 -5.726  1.000 18.142 0 151 ARG   A HD2  1 c 
ATOM   644  H  HD3  . ARG   A 1 39  ? -15.288 -9.025  -6.510  1.000 18.214 0 151 ARG   A HD3  1 c 
ATOM   645  H  HE   . ARG   A 1 39  ? -14.097 -11.220 -7.688  1.000 19.554 0 151 ARG   A HE   1 c 
ATOM   646  H  HH11 . ARG   A 1 39  ? -16.963 -9.450  -9.410  1.000 21.611 0 151 ARG   A HH11 1 c 
ATOM   647  H  HH12 . ARG   A 1 39  ? -16.563 -8.992  -8.012  1.000 21.478 0 151 ARG   A HH12 1 c 
ATOM   648  H  HH21 . ARG   A 1 39  ? -15.966 -11.257 -10.366 1.000 22.772 0 151 ARG   A HH21 1 c 
ATOM   649  H  HH22 . ARG   A 1 39  ? -14.776 -11.932 -9.679  1.000 22.794 0 151 ARG   A HH22 1 c 
ATOM   650  N  N    . GLY   A 1 40  ? -10.373 -6.218  -7.639  1.000 13.478 0 152 GLY   A N    1 ? 
ATOM   651  C  CA   . GLY   A 1 40  ? -10.073 -5.446  -8.834  1.000 13.650 0 152 GLY   A CA   1 ? 
ATOM   652  C  C    . GLY   A 1 40  ? -10.487 -3.988  -8.634  1.000 14.987 0 152 GLY   A C    1 ? 
ATOM   653  O  O    . GLY   A 1 40  ? -10.123 -3.382  -7.633  1.000 16.046 0 152 GLY   A O    1 ? 
ATOM   654  H  H    . GLY   A 1 40  ? -9.693  -6.651  -7.208  1.000 13.400 0 152 GLY   A H    1 c 
ATOM   655  H  HA2  . GLY   A 1 40  ? -9.107  -5.496  -9.022  1.000 13.576 0 152 GLY   A HA2  1 c 
ATOM   656  H  HA3  . GLY   A 1 40  ? -10.556 -5.831  -9.600  1.000 13.805 0 152 GLY   A HA3  1 c 
ATOM   657  N  N    . ASN   A 1 41  ? -11.313 -3.450  -9.540  1.000 14.499 0 153 ASN   A N    1 ? 
ATOM   658  C  CA   . ASN   A 1 41  ? -11.782 -2.078  -9.413  1.000 14.833 0 153 ASN   A CA   1 ? 
ATOM   659  C  C    . ASN   A 1 41  ? -12.948 -1.977  -8.431  1.000 14.471 0 153 ASN   A C    1 ? 
ATOM   660  O  O    . ASN   A 1 41  ? -13.321 -0.870  -8.029  1.000 15.807 0 153 ASN   A O    1 ? 
ATOM   661  C  CB   . ASN   A 1 41  ? -12.216 -1.513  -10.762 1.000 15.128 0 153 ASN   A CB   1 ? 
ATOM   662  C  CG   . ASN   A 1 41  ? -12.578 -0.046  -10.667 1.000 16.582 0 153 ASN   A CG   1 ? 
ATOM   663  O  OD1  . ASN   A 1 41  ? -11.744 0.785   -10.292 1.000 17.792 0 153 ASN   A OD1  1 ? 
ATOM   664  N  ND2  . ASN   A 1 41  ? -13.829 0.290   -10.961 1.000 17.373 0 153 ASN   A ND2  1 ? 
ATOM   665  H  H    . ASN   A 1 41  ? -11.589 -3.948  -10.255 1.000 14.652 0 153 ASN   A H    1 c 
ATOM   666  H  HA   . ASN   A 1 41  ? -11.040 -1.522  -9.082  1.000 14.784 0 153 ASN   A HA   1 c 
ATOM   667  H  HB2  . ASN   A 1 41  ? -11.490 -1.622  -11.406 1.000 15.214 0 153 ASN   A HB2  1 c 
ATOM   668  H  HB3  . ASN   A 1 41  ? -12.987 -2.017  -11.088 1.000 15.321 0 153 ASN   A HB3  1 c 
ATOM   669  H  HD21 . ASN   A 1 41  ? -14.420 -0.332  -11.185 1.000 17.128 0 153 ASN   A HD21 1 c 
ATOM   670  H  HD22 . ASN   A 1 41  ? -14.073 1.142   -10.933 1.000 17.160 0 153 ASN   A HD22 1 c 
ATOM   671  N  N    . ASP   A 1 42  ? -13.561 -3.111  -8.075  1.000 13.489 0 154 ASP   A N    1 ? 
ATOM   672  C  CA   . ASP   A 1 42  ? -14.703 -3.049  -7.169  1.000 12.894 0 154 ASP   A CA   1 ? 
ATOM   673  C  C    . ASP   A 1 42  ? -14.195 -2.879  -5.743  1.000 14.011 0 154 ASP   A C    1 ? 
ATOM   674  O  O    . ASP   A 1 42  ? -13.109 -3.358  -5.405  1.000 14.735 0 154 ASP   A O    1 ? 
ATOM   675  C  CB   . ASP   A 1 42  ? -15.598 -4.266  -7.294  1.000 14.283 0 154 ASP   A CB   1 ? 
ATOM   676  C  CG   . ASP   A 1 42  ? -16.507 -4.237  -8.512  1.000 15.648 0 154 ASP   A CG   1 ? 
ATOM   677  O  OD1  . ASP   A 1 42  ? -16.503 -3.208  -9.212  1.000 16.720 0 154 ASP   A OD1  1 ? 
ATOM   678  O  OD2  . ASP   A 1 42  ? -17.234 -5.230  -8.726  1.000 16.993 0 154 ASP   A OD2  1 ? 
ATOM   679  H  H    . ASP   A 1 42  ? -13.283 -3.920  -8.396  1.000 13.509 0 154 ASP   A H    1 c 
ATOM   680  H  HA   . ASP   A 1 42  ? -15.238 -2.260  -7.401  1.000 13.328 0 154 ASP   A HA   1 c 
ATOM   681  H  HB2  . ASP   A 1 42  ? -15.045 -5.072  -7.340  1.000 14.213 0 154 ASP   A HB2  1 c 
ATOM   682  H  HB3  . ASP   A 1 42  ? -16.162 -4.331  -6.495  1.000 14.189 0 154 ASP   A HB3  1 c 
ATOM   683  N  N    . VAL   A 1 43  ? -14.952 -2.141  -4.935  1.000 13.538 0 155 VAL   A N    1 ? 
ATOM   684  C  CA   . VAL   A 1 43  ? -14.671 -2.038  -3.518  1.000 13.270 0 155 VAL   A CA   1 ? 
ATOM   685  C  C    . VAL   A 1 43  ? -15.684 -2.880  -2.754  1.000 12.803 0 155 VAL   A C    1 ? 
ATOM   686  O  O    . VAL   A 1 43  ? -16.861 -2.502  -2.653  1.000 13.866 0 155 VAL   A O    1 ? 
ATOM   687  C  CB   . VAL   A 1 43  ? -14.653 -0.581  -3.037  1.000 13.764 0 155 VAL   A CB   1 ? 
ATOM   688  C  CG1  . VAL   A 1 43  ? -14.308 -0.526  -1.557  1.000 13.891 0 155 VAL   A CG1  1 ? 
ATOM   689  C  CG2  . VAL   A 1 43  ? -13.683 0.245   -3.862  1.000 14.424 0 155 VAL   A CG2  1 ? 
ATOM   690  H  H    . VAL   A 1 43  ? -15.668 -1.686  -5.276  1.000 13.497 0 155 VAL   A H    1 c 
ATOM   691  H  HA   . VAL   A 1 43  ? -13.784 -2.413  -3.358  1.000 13.391 0 155 VAL   A HA   1 c 
ATOM   692  H  HB   . VAL   A 1 43  ? -15.560 -0.216  -3.162  1.000 13.760 0 155 VAL   A HB   1 c 
ATOM   693  H  HG11 . VAL   A 1 43  ? -13.473 -1.000  -1.400  1.000 13.917 0 155 VAL   A HG11 1 c 
ATOM   694  H  HG12 . VAL   A 1 43  ? -15.017 -0.942  -1.039  1.000 13.891 0 155 VAL   A HG12 1 c 
ATOM   695  H  HG13 . VAL   A 1 43  ? -14.209 0.400   -1.283  1.000 13.837 0 155 VAL   A HG13 1 c 
ATOM   696  H  HG21 . VAL   A 1 43  ? -13.671 1.158   -3.529  1.000 14.261 0 155 VAL   A HG21 1 c 
ATOM   697  H  HG22 . VAL   A 1 43  ? -13.963 0.245   -4.792  1.000 14.291 0 155 VAL   A HG22 1 c 
ATOM   698  H  HG23 . VAL   A 1 43  ? -12.792 -0.135  -3.792  1.000 14.367 0 155 VAL   A HG23 1 c 
ATOM   699  N  N    . ALA   A 1 44  ? -15.244 -4.055  -2.287  1.000 13.254 0 156 ALA   A N    1 ? 
ATOM   700  C  CA   . ALA   A 1 44  ? -16.133 -4.941  -1.550  1.000 13.522 0 156 ALA   A CA   1 ? 
ATOM   701  C  C    . ALA   A 1 44  ? -16.604 -4.273  -0.261  1.000 13.687 0 156 ALA   A C    1 ? 
ATOM   702  O  O    . ALA   A 1 44  ? -17.761 -4.421  0.121   1.000 14.265 0 156 ALA   A O    1 ? 
ATOM   703  C  CB   . ALA   A 1 44  ? -15.459 -6.257  -1.258  1.000 14.699 0 156 ALA   A CB   1 ? 
ATOM   704  H  H    . ALA   A 1 44  ? -14.378 -4.310  -2.429  1.000 13.204 0 156 ALA   A H    1 c 
ATOM   705  H  HA   . ALA   A 1 44  ? -16.935 -5.110  -2.116  1.000 13.629 0 156 ALA   A HA   1 c 
ATOM   706  H  HB1  . ALA   A 1 44  ? -15.205 -6.687  -2.091  1.000 14.430 0 156 ALA   A HB1  1 c 
ATOM   707  H  HB2  . ALA   A 1 44  ? -14.664 -6.105  -0.720  1.000 14.438 0 156 ALA   A HB2  1 c 
ATOM   708  H  HB3  . ALA   A 1 44  ? -16.069 -6.836  -0.771  1.000 14.439 0 156 ALA   A HB3  1 c 
ATOM   709  N  N    . PHE   A 1 45  ? -15.701 -3.566  0.415   1.000 12.809 0 157 PHE   A N    1 ? 
ATOM   710  C  CA   . PHE   A 1 45  ? -16.006 -2.979  1.705   1.000 12.624 0 157 PHE   A CA   1 ? 
ATOM   711  C  C    . PHE   A 1 45  ? -15.181 -1.719  1.878   1.000 12.770 0 157 PHE   A C    1 ? 
ATOM   712  O  O    . PHE   A 1 45  ? -13.957 -1.776  1.928   1.000 13.318 0 157 PHE   A O    1 ? 
ATOM   713  C  CB   . PHE   A 1 45  ? -15.755 -3.980  2.831   1.000 13.109 0 157 PHE   A CB   1 ? 
ATOM   714  C  CG   . PHE   A 1 45  ? -15.967 -3.462  4.246   1.000 12.788 0 157 PHE   A CG   1 ? 
ATOM   715  C  CD1  . PHE   A 1 45  ? -17.005 -2.595  4.574   1.000 13.404 0 157 PHE   A CD1  1 ? 
ATOM   716  C  CD2  . PHE   A 1 45  ? -15.137 -3.880  5.269   1.000 13.852 0 157 PHE   A CD2  1 ? 
ATOM   717  C  CE1  . PHE   A 1 45  ? -17.164 -2.147  5.877   1.000 14.499 0 157 PHE   A CE1  1 ? 
ATOM   718  C  CE2  . PHE   A 1 45  ? -15.318 -3.443  6.566   1.000 13.418 0 157 PHE   A CE2  1 ? 
ATOM   719  C  CZ   . PHE   A 1 45  ? -16.330 -2.572  6.868   1.000 13.644 0 157 PHE   A CZ   1 ? 
ATOM   720  H  H    . PHE   A 1 45  ? -14.864 -3.452  0.066   1.000 12.913 0 157 PHE   A H    1 c 
ATOM   721  H  HA   . PHE   A 1 45  ? -16.968 -2.731  1.716   1.000 12.706 0 157 PHE   A HA   1 c 
ATOM   722  H  HB2  . PHE   A 1 45  ? -16.347 -4.753  2.690   1.000 12.951 0 157 PHE   A HB2  1 c 
ATOM   723  H  HB3  . PHE   A 1 45  ? -14.831 -4.304  2.751   1.000 13.003 0 157 PHE   A HB3  1 c 
ATOM   724  H  HD1  . PHE   A 1 45  ? -17.590 -2.288  3.899   1.000 13.430 0 157 PHE   A HD1  1 c 
ATOM   725  H  HD2  . PHE   A 1 45  ? -14.433 -4.479  5.076   1.000 13.496 0 157 PHE   A HD2  1 c 
ATOM   726  H  HE1  . PHE   A 1 45  ? -17.869 -1.554  6.082   1.000 14.124 0 157 PHE   A HE1  1 c 
ATOM   727  H  HE2  . PHE   A 1 45  ? -14.731 -3.734  7.244   1.000 13.381 0 157 PHE   A HE2  1 c 
ATOM   728  H  HZ   . PHE   A 1 45  ? -16.449 -2.269  7.754   1.000 13.725 0 157 PHE   A HZ   1 c 
ATOM   729  N  N    . HIS   A 1 46  ? -15.859 -0.569  1.875   1.000 12.990 0 158 HIS   A N    1 ? 
ATOM   730  C  CA   . HIS   A 1 46  ? -15.291 0.735   2.153   1.000 13.580 0 158 HIS   A CA   1 ? 
ATOM   731  C  C    . HIS   A 1 46  ? -15.752 1.134   3.547   1.000 12.428 0 158 HIS   A C    1 ? 
ATOM   732  O  O    . HIS   A 1 46  ? -16.958 1.160   3.811   1.000 13.875 0 158 HIS   A O    1 ? 
ATOM   733  C  CB   . HIS   A 1 46  ? -15.819 1.704   1.094   1.000 13.560 0 158 HIS   A CB   1 ? 
ATOM   734  C  CG   . HIS   A 1 46  ? -15.464 3.146   1.234   1.000 13.979 0 158 HIS   A CG   1 ? 
ATOM   735  N  ND1  . HIS   A 1 46  ? -14.265 3.687   0.827   1.000 14.374 0 158 HIS   A ND1  1 ? 
ATOM   736  C  CD2  . HIS   A 1 46  ? -16.188 4.190   1.660   1.000 14.603 0 158 HIS   A CD2  1 ? 
ATOM   737  C  CE1  . HIS   A 1 46  ? -14.286 5.000   1.025   1.000 15.858 0 158 HIS   A CE1  1 ? 
ATOM   738  N  NE2  . HIS   A 1 46  ? -15.459 5.334   1.507   1.000 15.304 0 158 HIS   A NE2  1 ? 
ATOM   739  H  H    . HIS   A 1 46  ? -16.752 -0.607  1.682   1.000 12.972 0 158 HIS   A H    1 c 
ATOM   740  H  HA   . HIS   A 1 46  ? -14.307 0.692   2.131   1.000 13.371 0 158 HIS   A HA   1 c 
ATOM   741  H  HB2  . HIS   A 1 46  ? -15.510 1.395   0.216   1.000 13.635 0 158 HIS   A HB2  1 c 
ATOM   742  H  HB3  . HIS   A 1 46  ? -16.798 1.631   1.075   1.000 13.562 0 158 HIS   A HB3  1 c 
ATOM   743  H  HD1  . HIS   A 1 46  ? -13.605 3.237   0.434   0.000 14.512 0 158 HIS   A HD1  1 c 
ATOM   744  H  HD2  . HIS   A 1 46  ? -17.068 4.154   1.978   1.000 14.489 0 158 HIS   A HD2  1 c 
ATOM   745  H  HE1  . HIS   A 1 46  ? -13.576 5.590   0.842   1.000 15.554 0 158 HIS   A HE1  1 c 
ATOM   746  H  HE2  . HIS   A 1 46  ? -15.687 6.162   1.710   0.000 15.668 0 158 HIS   A HE2  1 c 
ATOM   747  N  N    . PHE   A 1 47  ? -14.792 1.436   4.417   1.000 12.849 0 159 PHE   A N    1 ? 
ATOM   748  C  CA   . PHE   A 1 47  ? -15.023 1.830   5.787   1.000 12.829 0 159 PHE   A CA   1 ? 
ATOM   749  C  C    . PHE   A 1 47  ? -14.473 3.238   5.934   1.000 13.253 0 159 PHE   A C    1 ? 
ATOM   750  O  O    . PHE   A 1 47  ? -13.248 3.428   5.826   1.000 13.551 0 159 PHE   A O    1 ? 
ATOM   751  C  CB   . PHE   A 1 47  ? -14.308 0.829   6.691   1.000 12.853 0 159 PHE   A CB   1 ? 
ATOM   752  C  CG   . PHE   A 1 47  ? -14.273 1.206   8.157   1.000 13.207 0 159 PHE   A CG   1 ? 
ATOM   753  C  CD1  . PHE   A 1 47  ? -15.329 0.879   8.987   1.000 13.511 0 159 PHE   A CD1  1 ? 
ATOM   754  C  CD2  . PHE   A 1 47  ? -13.179 1.857   8.719   1.000 14.078 0 159 PHE   A CD2  1 ? 
ATOM   755  C  CE1  . PHE   A 1 47  ? -15.296 1.200   10.330  1.000 14.362 0 159 PHE   A CE1  1 ? 
ATOM   756  C  CE2  . PHE   A 1 47  ? -13.177 2.191   10.064  1.000 15.001 0 159 PHE   A CE2  1 ? 
ATOM   757  C  CZ   . PHE   A 1 47  ? -14.223 1.845   10.870  1.000 15.176 0 159 PHE   A CZ   1 ? 
ATOM   758  H  H    . PHE   A 1 47  ? -13.926 1.393   4.130   1.000 12.725 0 159 PHE   A H    1 c 
ATOM   759  H  HA   . PHE   A 1 47  ? -15.998 1.824   5.982   1.000 12.849 0 159 PHE   A HA   1 c 
ATOM   760  H  HB2  . PHE   A 1 47  ? -14.752 -0.043  6.599   1.000 12.929 0 159 PHE   A HB2  1 c 
ATOM   761  H  HB3  . PHE   A 1 47  ? -13.386 0.727   6.370   1.000 12.858 0 159 PHE   A HB3  1 c 
ATOM   762  H  HD1  . PHE   A 1 47  ? -16.075 0.423   8.632   1.000 13.675 0 159 PHE   A HD1  1 c 
ATOM   763  H  HD2  . PHE   A 1 47  ? -12.447 2.096   8.173   1.000 14.094 0 159 PHE   A HD2  1 c 
ATOM   764  H  HE1  . PHE   A 1 47  ? -16.028 0.972   10.880  1.000 14.280 0 159 PHE   A HE1  1 c 
ATOM   765  H  HE2  . PHE   A 1 47  ? -12.429 2.634   10.433  1.000 14.777 0 159 PHE   A HE2  1 c 
ATOM   766  H  HZ   . PHE   A 1 47  ? -14.215 2.074   11.785  1.000 14.873 0 159 PHE   A HZ   1 c 
ATOM   767  N  N    . ASN   A 1 48  ? -15.344 4.222   6.177   1.000 14.225 0 160 ASN   A N    1 ? 
ATOM   768  C  CA   . ASN   A 1 48  ? -14.986 5.621   5.968   1.000 14.365 0 160 ASN   A CA   1 ? 
ATOM   769  C  C    . ASN   A 1 48  ? -15.447 6.477   7.141   1.000 14.390 0 160 ASN   A C    1 ? 
ATOM   770  O  O    . ASN   A 1 48  ? -16.554 7.039   7.106   1.000 14.519 0 160 ASN   A O    1 ? 
ATOM   771  C  CB   . ASN   A 1 48  ? -15.569 6.094   4.640   1.000 14.657 0 160 ASN   A CB   1 ? 
ATOM   772  C  CG   . ASN   A 1 48  ? -15.381 7.561   4.341   1.000 15.590 0 160 ASN   A CG   1 ? 
ATOM   773  O  OD1  . ASN   A 1 48  ? -16.228 8.150   3.663   1.000 17.648 0 160 ASN   A OD1  1 ? 
ATOM   774  N  ND2  . ASN   A 1 48  ? -14.265 8.151   4.747   1.000 16.154 0 160 ASN   A ND2  1 ? 
ATOM   775  H  H    . ASN   A 1 48  ? -16.182 4.021   6.481   1.000 13.918 0 160 ASN   A H    1 c 
ATOM   776  H  HA   . ASN   A 1 48  ? -14.010 5.684   5.900   1.000 14.402 0 160 ASN   A HA   1 c 
ATOM   777  H  HB2  . ASN   A 1 48  ? -15.157 5.577   3.922   1.000 14.736 0 160 ASN   A HB2  1 c 
ATOM   778  H  HB3  . ASN   A 1 48  ? -16.526 5.898   4.632   1.000 14.648 0 160 ASN   A HB3  1 c 
ATOM   779  H  HD21 . ASN   A 1 48  ? -13.538 7.670   4.915   1.000 16.037 0 160 ASN   A HD21 1 c 
ATOM   780  H  HD22 . ASN   A 1 48  ? -14.247 9.035   4.847   1.000 15.935 0 160 ASN   A HD22 1 c 
ATOM   781  N  N    . PRO   A 1 49  ? -14.647 6.566   8.232   1.000 13.569 0 161 PRO   A N    1 ? 
ATOM   782  C  CA   . PRO   A 1 49  ? -14.863 7.579   9.271   1.000 14.688 0 161 PRO   A CA   1 ? 
ATOM   783  C  C    . PRO   A 1 49  ? -14.767 8.982   8.693   1.000 15.010 0 161 PRO   A C    1 ? 
ATOM   784  O  O    . PRO   A 1 49  ? -13.780 9.322   8.048   1.000 16.203 0 161 PRO   A O    1 ? 
ATOM   785  C  CB   . PRO   A 1 49  ? -13.740 7.311   10.280  1.000 15.132 0 161 PRO   A CB   1 ? 
ATOM   786  C  CG   . PRO   A 1 49  ? -13.389 5.849   10.060  1.000 14.951 0 161 PRO   A CG   1 ? 
ATOM   787  C  CD   . PRO   A 1 49  ? -13.520 5.673   8.558   1.000 14.332 0 161 PRO   A CD   1 ? 
ATOM   788  H  HA   . PRO   A 1 49  ? -15.744 7.438   9.699   1.000 14.601 0 161 PRO   A HA   1 c 
ATOM   789  H  HB2  . PRO   A 1 49  ? -12.961 7.889   10.106  1.000 15.099 0 161 PRO   A HB2  1 c 
ATOM   790  H  HB3  . PRO   A 1 49  ? -14.052 7.463   11.203  1.000 15.029 0 161 PRO   A HB3  1 c 
ATOM   791  H  HG2  . PRO   A 1 49  ? -12.475 5.657   10.357  1.000 14.868 0 161 PRO   A HG2  1 c 
ATOM   792  H  HG3  . PRO   A 1 49  ? -14.010 5.261   10.538  1.000 14.866 0 161 PRO   A HG3  1 c 
ATOM   793  H  HD2  . PRO   A 1 49  ? -12.700 5.949   8.097   1.000 14.310 0 161 PRO   A HD2  1 c 
ATOM   794  H  HD3  . PRO   A 1 49  ? -13.726 4.740   8.328   1.000 14.264 0 161 PRO   A HD3  1 c 
ATOM   795  N  N    . ARG   A 1 50  ? -15.810 9.772   8.942   1.000 15.325 0 162 ARG   A N    1 ? 
ATOM   796  C  CA   . ARG   A 1 50  ? -15.894 11.172  8.556   1.000 15.440 0 162 ARG   A CA   1 ? 
ATOM   797  C  C    . ARG   A 1 50  ? -16.032 12.013  9.820   1.000 16.061 0 162 ARG   A C    1 ? 
ATOM   798  O  O    . ARG   A 1 50  ? -16.972 11.845  10.599  1.000 16.795 0 162 ARG   A O    1 ? 
ATOM   799  C  CB   . ARG   A 1 50  ? -17.104 11.456  7.663   1.000 15.759 0 162 ARG   A CB   1 ? 
ATOM   800  C  CG   . ARG   A 1 50  ? -17.043 10.656  6.375   1.000 16.153 0 162 ARG   A CG   1 ? 
ATOM   801  C  CD   . ARG   A 1 50  ? -18.264 10.824  5.525   1.000 16.480 0 162 ARG   A CD   1 ? 
ATOM   802  N  NE   . ARG   A 1 50  ? -18.173 10.003  4.314   1.000 17.118 0 162 ARG   A NE   1 ? 
ATOM   803  C  CZ   . ARG   A 1 50  ? -19.031 10.006  3.304   1.000 16.648 0 162 ARG   A CZ   1 ? 
ATOM   804  N  NH1  . ARG   A 1 50  ? -20.121 10.768  3.354   1.000 16.305 0 162 ARG   A NH1  1 ? 
ATOM   805  N  NH2  . ARG   A 1 50  ? -18.819 9.243   2.246   1.000 17.201 0 162 ARG   A NH2  1 ? 
ATOM   806  H  H    . ARG   A 1 50  ? -16.525 9.412   9.383   1.000 15.136 0 162 ARG   A H    1 c 
ATOM   807  H  HA   . ARG   A 1 50  ? -15.062 11.426  8.081   1.000 15.557 0 162 ARG   A HA   1 c 
ATOM   808  H  HB2  . ARG   A 1 50  ? -17.926 11.226  8.147   1.000 15.784 0 162 ARG   A HB2  1 c 
ATOM   809  H  HB3  . ARG   A 1 50  ? -17.133 12.413  7.448   1.000 15.760 0 162 ARG   A HB3  1 c 
ATOM   810  H  HG2  . ARG   A 1 50  ? -16.256 10.937  5.859   1.000 16.167 0 162 ARG   A HG2  1 c 
ATOM   811  H  HG3  . ARG   A 1 50  ? -16.935 9.704   6.591   1.000 16.129 0 162 ARG   A HG3  1 c 
ATOM   812  H  HD2  . ARG   A 1 50  ? -19.058 10.562  6.035   1.000 16.465 0 162 ARG   A HD2  1 c 
ATOM   813  H  HD3  . ARG   A 1 50  ? -18.360 11.765  5.272   1.000 16.557 0 162 ARG   A HD3  1 c 
ATOM   814  H  HE   . ARG   A 1 50  ? -17.494 9.462   4.251   1.000 16.919 0 162 ARG   A HE   1 c 
ATOM   815  H  HH11 . ARG   A 1 50  ? -20.651 10.821  2.648   1.000 16.263 0 162 ARG   A HH11 1 c 
ATOM   816  H  HH12 . ARG   A 1 50  ? -20.320 11.219  4.086   1.000 16.320 0 162 ARG   A HH12 1 c 
ATOM   817  H  HH21 . ARG   A 1 50  ? -19.392 9.253   1.573   1.000 17.031 0 162 ARG   A HH21 1 c 
ATOM   818  H  HH22 . ARG   A 1 50  ? -18.105 8.722   2.212   1.000 17.116 0 162 ARG   A HH22 1 c 
ATOM   819  N  N    . PHE   A 1 51  ? -15.090 12.939  9.999   1.000 16.925 0 163 PHE   A N    1 ? 
ATOM   820  C  CA   . PHE   A 1 51  ? -14.995 13.723  11.221  1.000 18.341 0 163 PHE   A CA   1 ? 
ATOM   821  C  C    . PHE   A 1 51  ? -15.886 14.962  11.165  1.000 19.438 0 163 PHE   A C    1 ? 
ATOM   822  O  O    . PHE   A 1 51  ? -16.166 15.535  12.205  1.000 20.581 0 163 PHE   A O    1 ? 
ATOM   823  C  CB   . PHE   A 1 51  ? -13.538 14.116  11.486  1.000 19.479 0 163 PHE   A CB   1 ? 
ATOM   824  C  CG   . PHE   A 1 51  ? -12.662 12.963  11.965  1.000 21.014 0 163 PHE   A CG   1 ? 
ATOM   825  C  CD1  . PHE   A 1 51  ? -12.207 11.999  11.073  1.000 21.090 0 163 PHE   A CD1  1 ? 
ATOM   826  C  CD2  . PHE   A 1 51  ? -12.308 12.841  13.301  1.000 22.612 0 163 PHE   A CD2  1 ? 
ATOM   827  C  CE1  . PHE   A 1 51  ? -11.414 10.944  11.502  1.000 21.796 0 163 PHE   A CE1  1 ? 
ATOM   828  C  CE2  . PHE   A 1 51  ? -11.493 11.797  13.723  1.000 22.111 0 163 PHE   A CE2  1 ? 
ATOM   829  C  CZ   . PHE   A 1 51  ? -11.059 10.847  12.826  1.000 22.235 0 163 PHE   A CZ   1 ? 
ATOM   830  H  H    . PHE   A 1 51  ? -14.483 13.093  9.334   1.000 16.963 0 163 PHE   A H    1 c 
ATOM   831  H  HA   . PHE   A 1 51  ? -15.302 13.156  11.978  1.000 18.419 0 163 PHE   A HA   1 c 
ATOM   832  H  HB2  . PHE   A 1 51  ? -13.157 14.483  10.658  1.000 19.503 0 163 PHE   A HB2  1 c 
ATOM   833  H  HB3  . PHE   A 1 51  ? -13.525 14.828  12.165  1.000 19.470 0 163 PHE   A HB3  1 c 
ATOM   834  H  HD1  . PHE   A 1 51  ? -12.447 12.060  10.163  1.000 21.096 0 163 PHE   A HD1  1 c 
ATOM   835  H  HD2  . PHE   A 1 51  ? -12.597 13.491  13.922  1.000 22.205 0 163 PHE   A HD2  1 c 
ATOM   836  H  HE1  . PHE   A 1 51  ? -11.111 10.299  10.882  1.000 21.662 0 163 PHE   A HE1  1 c 
ATOM   837  H  HE2  . PHE   A 1 51  ? -11.259 11.725  14.635  1.000 22.145 0 163 PHE   A HE2  1 c 
ATOM   838  H  HZ   . PHE   A 1 51  ? -10.517 10.132  13.120  1.000 22.108 0 163 PHE   A HZ   1 c 
ATOM   839  N  N    . ASN   A 1 52  ? -16.306 15.379  9.967   1.000 19.971 0 164 ASN   A N    1 ? 
ATOM   840  C  CA   . ASN   A 1 52  ? -17.148 16.559  9.838   1.000 22.108 0 164 ASN   A CA   1 ? 
ATOM   841  C  C    . ASN   A 1 52  ? -18.028 16.441  8.600   1.000 21.659 0 164 ASN   A C    1 ? 
ATOM   842  O  O    . ASN   A 1 52  ? -17.823 17.113  7.597   1.000 24.418 0 164 ASN   A O    1 ? 
ATOM   843  C  CB   . ASN   A 1 52  ? -16.324 17.842  9.816   1.000 26.081 0 164 ASN   A CB   1 ? 
ATOM   844  C  CG   . ASN   A 1 52  ? -17.218 19.059  9.763   1.000 29.620 0 164 ASN   A CG   1 ? 
ATOM   845  O  OD1  . ASN   A 1 52  ? -18.426 18.931  9.531   1.000 33.445 0 164 ASN   A OD1  1 ? 
ATOM   846  N  ND2  . ASN   A 1 52  ? -16.657 20.244  9.937   1.000 33.319 0 164 ASN   A ND2  1 ? 
ATOM   847  H  H    . ASN   A 1 52  ? -16.061 14.925  9.213   1.000 20.091 0 164 ASN   A H    1 c 
ATOM   848  H  HA   . ASN   A 1 52  ? -17.736 16.602  10.625  1.000 22.137 0 164 ASN   A HA   1 c 
ATOM   849  H  HB2  . ASN   A 1 52  ? -15.767 17.884  10.619  1.000 25.678 0 164 ASN   A HB2  1 c 
ATOM   850  H  HB3  . ASN   A 1 52  ? -15.735 17.838  9.035   1.000 25.736 0 164 ASN   A HB3  1 c 
ATOM   851  H  HD21 . ASN   A 1 52  ? -15.783 20.304  10.081  1.000 32.267 0 164 ASN   A HD21 1 c 
ATOM   852  H  HD22 . ASN   A 1 52  ? -17.154 20.977  9.911   1.000 32.547 0 164 ASN   A HD22 1 c 
ATOM   853  N  N    . GLU   A 1 53  ? -19.037 15.587  8.699   1.000 20.971 0 165 GLU   A N    1 ? 
ATOM   854  C  CA   . GLU   A 1 53  ? -20.111 15.582  7.727   1.000 21.264 0 165 GLU   A CA   1 ? 
ATOM   855  C  C    . GLU   A 1 53  ? -21.296 16.329  8.330   1.000 21.111 0 165 GLU   A C    1 ? 
ATOM   856  O  O    . GLU   A 1 53  ? -21.902 15.857  9.290   1.000 21.712 0 165 GLU   A O    1 ? 
ATOM   857  C  CB   . GLU   A 1 53  ? -20.498 14.147  7.387   1.000 21.758 0 165 GLU   A CB   1 ? 
ATOM   858  C  CG   . GLU   A 1 53  ? -21.481 14.068  6.228   1.000 21.306 0 165 GLU   A CG   1 ? 
ATOM   859  C  CD   . GLU   A 1 53  ? -22.154 12.720  6.104   1.000 22.089 0 165 GLU   A CD   1 ? 
ATOM   860  O  OE1  . GLU   A 1 53  ? -22.984 12.381  6.990   1.000 22.633 0 165 GLU   A OE1  1 ? 
ATOM   861  O  OE2  . GLU   A 1 53  ? -21.854 12.028  5.115   1.000 22.582 0 165 GLU   A OE2  1 ? 
ATOM   862  H  H    . GLU   A 1 53  ? -19.061 14.990  9.391   1.000 21.164 0 165 GLU   A H    1 c 
ATOM   863  H  HA   . GLU   A 1 53  ? -19.810 16.047  6.906   1.000 21.243 0 165 GLU   A HA   1 c 
ATOM   864  H  HB2  . GLU   A 1 53  ? -19.688 13.647  7.156   1.000 21.574 0 165 GLU   A HB2  1 c 
ATOM   865  H  HB3  . GLU   A 1 53  ? -20.894 13.727  8.179   1.000 21.586 0 165 GLU   A HB3  1 c 
ATOM   866  H  HG2  . GLU   A 1 53  ? -22.173 14.752  6.343   1.000 21.401 0 165 GLU   A HG2  1 c 
ATOM   867  H  HG3  . GLU   A 1 53  ? -21.006 14.260  5.391   1.000 21.530 0 165 GLU   A HG3  1 c 
ATOM   868  N  N    . ASN   A 1 54  ? -21.585 17.519  7.793   1.000 22.689 0 166 ASN   A N    1 ? 
ATOM   869  C  CA   . ASN   A 1 54  ? -22.647 18.357  8.330   1.000 24.540 0 166 ASN   A CA   1 ? 
ATOM   870  C  C    . ASN   A 1 54  ? -22.390 18.599  9.820   1.000 23.190 0 166 ASN   A C    1 ? 
ATOM   871  O  O    . ASN   A 1 54  ? -23.305 18.570  10.637  1.000 23.486 0 166 ASN   A O    1 ? 
ATOM   872  C  CB   . ASN   A 1 54  ? -24.014 17.723  8.065   1.000 28.125 0 166 ASN   A CB   1 ? 
ATOM   873  C  CG   . ASN   A 1 54  ? -25.182 18.617  8.414   1.000 32.626 0 166 ASN   A CG   1 ? 
ATOM   874  O  OD1  . ASN   A 1 54  ? -26.266 18.118  8.748   1.000 39.594 0 166 ASN   A OD1  1 ? 
ATOM   875  N  ND2  . ASN   A 1 54  ? -24.993 19.926  8.354   1.000 34.450 0 166 ASN   A ND2  1 ? 
ATOM   876  H  H    . ASN   A 1 54  ? -21.108 17.819  7.073   1.000 22.573 0 166 ASN   A H    1 c 
ATOM   877  H  HA   . ASN   A 1 54  ? -22.619 19.220  7.860   1.000 24.535 0 166 ASN   A HA   1 c 
ATOM   878  H  HB2  . ASN   A 1 54  ? -24.073 17.484  7.118   1.000 27.982 0 166 ASN   A HB2  1 c 
ATOM   879  H  HB3  . ASN   A 1 54  ? -24.086 16.898  8.584   1.000 27.990 0 166 ASN   A HB3  1 c 
ATOM   880  H  HD21 . ASN   A 1 54  ? -24.432 20.277  7.762   1.000 33.800 0 166 ASN   A HD21 1 c 
ATOM   881  H  HD22 . ASN   A 1 54  ? -25.446 20.458  8.906   1.000 34.110 0 166 ASN   A HD22 1 c 
ATOM   882  N  N    . ASN   A 1 55  ? -21.114 18.792  10.180  1.000 23.146 0 167 ASN   A N    1 ? 
ATOM   883  C  CA   . ASN   A 1 55  ? -20.713 19.119  11.544  1.000 23.075 0 167 ASN   A CA   1 ? 
ATOM   884  C  C    . ASN   A 1 55  ? -21.007 17.979  12.527  1.000 23.908 0 167 ASN   A C    1 ? 
ATOM   885  O  O    . ASN   A 1 55  ? -21.135 18.225  13.724  1.000 27.503 0 167 ASN   A O    1 ? 
ATOM   886  C  CB   . ASN   A 1 55  ? -21.308 20.454  11.977  1.000 24.257 0 167 ASN   A CB   1 ? 
ATOM   887  C  CG   . ASN   A 1 55  ? -20.681 21.588  11.212  1.000 24.094 0 167 ASN   A CG   1 ? 
ATOM   888  O  OD1  . ASN   A 1 55  ? -21.340 22.254  10.406  1.000 26.697 0 167 ASN   A OD1  1 ? 
ATOM   889  N  ND2  . ASN   A 1 55  ? -19.396 21.795  11.434  1.000 23.229 0 167 ASN   A ND2  1 ? 
ATOM   890  H  H    . ASN   A 1 55  ? -20.462 18.731  9.543   1.000 23.143 0 167 ASN   A H    1 c 
ATOM   891  H  HA   . ASN   A 1 55  ? -19.738 19.237  11.537  1.000 23.415 0 167 ASN   A HA   1 c 
ATOM   892  H  HB2  . ASN   A 1 55  ? -22.273 20.452  11.823  1.000 24.054 0 167 ASN   A HB2  1 c 
ATOM   893  H  HB3  . ASN   A 1 55  ? -21.152 20.587  12.933  1.000 23.996 0 167 ASN   A HB3  1 c 
ATOM   894  H  HD21 . ASN   A 1 55  ? -18.978 21.361  12.086  1.000 23.305 0 167 ASN   A HD21 1 c 
ATOM   895  H  HD22 . ASN   A 1 55  ? -18.950 22.372  10.929  1.000 23.345 0 167 ASN   A HD22 1 c 
ATOM   896  N  N    A ARG   A 1 56  ? -21.051 16.746  11.999  0.500 22.755 0 168 ARG   A N    1 ? 
ATOM   897  N  N    B ARG   A 1 56  ? -21.114 16.746  12.022  0.500 22.621 0 168 ARG   A N    1 ? 
ATOM   898  C  CA   A ARG   A 1 56  ? -21.322 15.533  12.756  0.500 22.942 0 168 ARG   A CA   1 ? 
ATOM   899  C  CA   B ARG   A 1 56  ? -21.281 15.570  12.861  0.500 22.819 0 168 ARG   A CA   1 ? 
ATOM   900  C  C    A ARG   A 1 56  ? -20.210 14.541  12.434  0.500 21.168 0 168 ARG   A C    1 ? 
ATOM   901  C  C    B ARG   A 1 56  ? -20.175 14.594  12.479  0.500 20.917 0 168 ARG   A C    1 ? 
ATOM   902  O  O    A ARG   A 1 56  ? -19.668 14.579  11.334  0.500 21.270 0 168 ARG   A O    1 ? 
ATOM   903  O  O    B ARG   A 1 56  ? -19.607 14.708  11.399  0.500 20.760 0 168 ARG   A O    1 ? 
ATOM   904  C  CB   A ARG   A 1 56  ? -22.675 14.911  12.371  0.500 23.646 0 168 ARG   A CB   1 ? 
ATOM   905  C  CB   B ARG   A 1 56  ? -22.637 14.863  12.702  0.500 23.186 0 168 ARG   A CB   1 ? 
ATOM   906  C  CG   A ARG   A 1 56  ? -23.874 15.849  12.451  0.500 25.476 0 168 ARG   A CG   1 ? 
ATOM   907  C  CG   B ARG   A 1 56  ? -23.907 15.577  13.155  0.500 25.246 0 168 ARG   A CG   1 ? 
ATOM   908  C  CD   A ARG   A 1 56  ? -25.227 15.162  12.588  0.500 26.780 0 168 ARG   A CD   1 ? 
ATOM   909  C  CD   B ARG   A 1 56  ? -24.753 16.079  11.987  0.500 26.797 0 168 ARG   A CD   1 ? 
ATOM   910  N  NE   A ARG   A 1 56  ? -26.307 16.156  12.666  0.500 29.197 0 168 ARG   A NE   1 ? 
ATOM   911  N  NE   B ARG   A 1 56  ? -26.111 16.522  12.336  0.500 29.545 0 168 ARG   A NE   1 ? 
ATOM   912  C  CZ   A ARG   A 1 56  ? -27.599 15.891  12.798  0.500 30.385 0 168 ARG   A CZ   1 ? 
ATOM   913  C  CZ   B ARG   A 1 56  ? -26.527 17.780  12.288  0.500 30.732 0 168 ARG   A CZ   1 ? 
ATOM   914  N  NH1  A ARG   A 1 56  ? -28.472 16.878  12.919  0.500 32.495 0 168 ARG   A NH1  1 ? 
ATOM   915  N  NH1  B ARG   A 1 56  ? -27.791 18.080  12.531  0.500 32.875 0 168 ARG   A NH1  1 ? 
ATOM   916  N  NH2  A ARG   A 1 56  ? -28.017 14.640  12.829  0.500 31.194 0 168 ARG   A NH2  1 ? 
ATOM   917  N  NH2  B ARG   A 1 56  ? -25.680 18.744  11.978  0.500 31.815 0 168 ARG   A NH2  1 ? 
ATOM   918  H  H    A ARG   A 1 56  ? -20.882 16.656  11.106  0.500 22.951 0 168 ARG   A H    1 c 
ATOM   919  H  H    B ARG   A 1 56  ? -21.068 16.628  11.118  0.500 22.879 0 168 ARG   A H    1 c 
ATOM   920  H  HA   A ARG   A 1 56  ? -21.306 15.743  13.725  0.500 22.784 0 168 ARG   A HA   1 c 
ATOM   921  H  HA   B ARG   A 1 56  ? -21.160 15.833  13.808  0.500 22.547 0 168 ARG   A HA   1 c 
ATOM   922  H  HB2  A ARG   A 1 56  ? -22.608 14.571  11.453  0.500 23.796 0 168 ARG   A HB2  1 c 
ATOM   923  H  HB2  B ARG   A 1 56  ? -22.742 14.640  11.753  0.500 23.505 0 168 ARG   A HB2  1 c 
ATOM   924  H  HB3  A ARG   A 1 56  ? -22.842 14.142  12.957  0.500 23.795 0 168 ARG   A HB3  1 c 
ATOM   925  H  HB3  B ARG   A 1 56  ? -22.582 14.013  13.189  0.500 23.378 0 168 ARG   A HB3  1 c 
ATOM   926  H  HG2  A ARG   A 1 56  ? -23.752 16.454  13.215  0.500 25.354 0 168 ARG   A HG2  1 c 
ATOM   927  H  HG2  B ARG   A 1 56  ? -24.446 14.962  13.699  0.500 25.044 0 168 ARG   A HG2  1 c 
ATOM   928  H  HG3  A ARG   A 1 56  ? -23.891 16.405  11.643  0.500 25.328 0 168 ARG   A HG3  1 c 
ATOM   929  H  HG3  B ARG   A 1 56  ? -23.661 16.341  13.720  0.500 25.080 0 168 ARG   A HG3  1 c 
ATOM   930  H  HD2  A ARG   A 1 56  ? -25.379 14.577  11.818  0.500 26.914 0 168 ARG   A HD2  1 c 
ATOM   931  H  HD2  B ARG   A 1 56  ? -24.281 16.818  11.562  0.500 26.894 0 168 ARG   A HD2  1 c 
ATOM   932  H  HD3  A ARG   A 1 56  ? -25.234 14.610  13.397  0.500 26.858 0 168 ARG   A HD3  1 c 
ATOM   933  H  HD3  B ARG   A 1 56  ? -24.818 15.357  11.329  0.500 26.939 0 168 ARG   A HD3  1 c 
ATOM   934  H  HE   A ARG   A 1 56  ? -26.082 16.996  12.623  0.500 28.884 0 168 ARG   A HE   1 c 
ATOM   935  H  HE   B ARG   A 1 56  ? -26.685 15.918  12.591  0.500 29.134 0 168 ARG   A HE   1 c 
ATOM   936  H  HH11 A ARG   A 1 56  ? -29.333 16.696  13.004  0.500 31.978 0 168 ARG   A HH11 1 c 
ATOM   937  H  HH11 B ARG   A 1 56  ? -28.056 18.922  12.499  0.500 32.320 0 168 ARG   A HH11 1 c 
ATOM   938  H  HH12 A ARG   A 1 56  ? -28.190 17.716  12.913  0.500 31.828 0 168 ARG   A HH12 1 c 
ATOM   939  H  HH12 B ARG   A 1 56  ? -28.365 17.436  12.724  0.500 32.302 0 168 ARG   A HH12 1 c 
ATOM   940  H  HH21 A ARG   A 1 56  ? -28.881 14.467  12.904  0.500 30.920 0 168 ARG   A HH21 1 c 
ATOM   941  H  HH21 B ARG   A 1 56  ? -25.956 19.583  11.970  0.500 31.612 0 168 ARG   A HH21 1 c 
ATOM   942  H  HH22 A ARG   A 1 56  ? -27.431 13.980  12.776  0.500 30.985 0 168 ARG   A HH22 1 c 
ATOM   943  H  HH22 B ARG   A 1 56  ? -24.842 18.544  11.780  0.500 31.535 0 168 ARG   A HH22 1 c 
ATOM   944  N  N    . ARG   A 1 57  ? -19.868 13.667  13.389  1.000 19.180 0 169 ARG   A N    1 ? 
ATOM   945  C  CA   . ARG   A 1 57  ? -18.945 12.576  13.121  1.000 19.147 0 169 ARG   A CA   1 ? 
ATOM   946  C  C    . ARG   A 1 57  ? -19.776 11.339  12.819  1.000 17.833 0 169 ARG   A C    1 ? 
ATOM   947  O  O    . ARG   A 1 57  ? -20.722 11.071  13.551  1.000 20.749 0 169 ARG   A O    1 ? 
ATOM   948  C  CB   . ARG   A 1 57  ? -18.003 12.374  14.310  1.000 20.063 0 169 ARG   A CB   1 ? 
ATOM   949  C  CG   . ARG   A 1 57  ? -17.331 13.686  14.691  1.000 22.388 0 169 ARG   A CG   1 ? 
ATOM   950  C  CD   . ARG   A 1 57  ? -16.139 13.540  15.598  1.000 23.312 0 169 ARG   A CD   1 ? 
ATOM   951  N  NE   . ARG   A 1 57  ? -16.452 12.777  16.810  1.000 23.508 0 169 ARG   A NE   1 ? 
ATOM   952  C  CZ   . ARG   A 1 57  ? -15.526 12.376  17.668  1.000 24.915 0 169 ARG   A CZ   1 ? 
ATOM   953  N  NH1  . ARG   A 1 57  ? -15.854 11.618  18.703  1.000 24.661 0 169 ARG   A NH1  1 ? 
ATOM   954  N  NH2  . ARG   A 1 57  ? -14.267 12.723  17.469  1.000 27.233 0 169 ARG   A NH2  1 ? 
ATOM   955  H  H    . ARG   A 1 57  ? -20.237 13.734  14.222  1.000 19.763 0 169 ARG   A H    1 c 
ATOM   956  H  HA   . ARG   A 1 57  ? -18.403 12.803  12.327  1.000 19.073 0 169 ARG   A HA   1 c 
ATOM   957  H  HB2  . ARG   A 1 57  ? -18.509 12.032  15.077  1.000 20.367 0 169 ARG   A HB2  1 c 
ATOM   958  H  HB3  . ARG   A 1 57  ? -17.316 11.714  14.076  1.000 20.171 0 169 ARG   A HB3  1 c 
ATOM   959  H  HG2  . ARG   A 1 57  ? -17.047 14.142  13.872  1.000 22.052 0 169 ARG   A HG2  1 c 
ATOM   960  H  HG3  . ARG   A 1 57  ? -17.990 14.265  15.131  1.000 22.189 0 169 ARG   A HG3  1 c 
ATOM   961  H  HD2  . ARG   A 1 57  ? -15.421 13.089  15.108  1.000 23.160 0 169 ARG   A HD2  1 c 
ATOM   962  H  HD3  . ARG   A 1 57  ? -15.820 14.430  15.851  1.000 23.257 0 169 ARG   A HD3  1 c 
ATOM   963  H  HE   . ARG   A 1 57  ? -17.284 12.586  16.980  1.000 23.745 0 169 ARG   A HE   1 c 
ATOM   964  H  HH11 . ARG   A 1 57  ? -15.231 11.357  19.273  1.000 24.713 0 169 ARG   A HH11 1 c 
ATOM   965  H  HH12 . ARG   A 1 57  ? -16.695 11.374  18.823  1.000 24.794 0 169 ARG   A HH12 1 c 
ATOM   966  H  HH21 . ARG   A 1 57  ? -13.624 12.278  17.880  1.000 26.527 0 169 ARG   A HH21 1 c 
ATOM   967  H  HH22 . ARG   A 1 57  ? -14.061 13.395  16.933  1.000 26.469 0 169 ARG   A HH22 1 c 
ATOM   968  N  N    . VAL   A 1 58  ? -19.427 10.617  11.748  1.000 16.768 0 170 VAL   A N    1 ? 
ATOM   969  C  CA   . VAL   A 1 58  ? -20.177 9.451   11.320  1.000 16.819 0 170 VAL   A CA   1 ? 
ATOM   970  C  C    . VAL   A 1 58  ? -19.227 8.462   10.649  1.000 15.848 0 170 VAL   A C    1 ? 
ATOM   971  O  O    . VAL   A 1 58  ? -18.249 8.876   10.039  1.000 17.742 0 170 VAL   A O    1 ? 
ATOM   972  C  CB   . VAL   A 1 58  ? -21.333 9.846   10.375  1.000 18.123 0 170 VAL   A CB   1 ? 
ATOM   973  C  CG1  . VAL   A 1 58  ? -20.836 10.491  9.090   1.000 18.362 0 170 VAL   A CG1  1 ? 
ATOM   974  C  CG2  . VAL   A 1 58  ? -22.216 8.653   10.028  1.000 19.329 0 170 VAL   A CG2  1 ? 
ATOM   975  H  H    . VAL   A 1 58  ? -18.689 10.863  11.268  1.000 16.968 0 170 VAL   A H    1 c 
ATOM   976  H  HA   . VAL   A 1 58  ? -20.558 9.023   12.112  1.000 16.819 0 170 VAL   A HA   1 c 
ATOM   977  H  HB   . VAL   A 1 58  ? -21.888 10.506  10.853  1.000 18.067 0 170 VAL   A HB   1 c 
ATOM   978  H  HG11 . VAL   A 1 58  ? -20.304 9.852   8.587   1.000 18.268 0 170 VAL   A HG11 1 c 
ATOM   979  H  HG12 . VAL   A 1 58  ? -20.292 11.267  9.304   1.000 18.339 0 170 VAL   A HG12 1 c 
ATOM   980  H  HG13 . VAL   A 1 58  ? -21.596 10.769  8.552   1.000 18.293 0 170 VAL   A HG13 1 c 
ATOM   981  H  HG21 . VAL   A 1 58  ? -22.966 8.953   9.487   1.000 19.084 0 170 VAL   A HG21 1 c 
ATOM   982  H  HG22 . VAL   A 1 58  ? -22.549 8.247   10.846  1.000 19.071 0 170 VAL   A HG22 1 c 
ATOM   983  H  HG23 . VAL   A 1 58  ? -21.701 7.999   9.528   1.000 19.095 0 170 VAL   A HG23 1 c 
ATOM   984  N  N    . ILE   A 1 59  ? -19.536 7.169   10.769  1.000 15.000 0 171 ILE   A N    1 ? 
ATOM   985  C  CA   . ILE   A 1 59  ? -18.877 6.128   9.988   1.000 15.971 0 171 ILE   A CA   1 ? 
ATOM   986  C  C    . ILE   A 1 59  ? -19.780 5.779   8.813   1.000 14.834 0 171 ILE   A C    1 ? 
ATOM   987  O  O    . ILE   A 1 59  ? -20.920 5.383   9.049   1.000 16.837 0 171 ILE   A O    1 ? 
ATOM   988  C  CB   . ILE   A 1 59  ? -18.635 4.849   10.805  1.000 18.279 0 171 ILE   A CB   1 ? 
ATOM   989  C  CG1  . ILE   A 1 59  ? -18.058 5.100   12.202  1.000 22.072 0 171 ILE   A CG1  1 ? 
ATOM   990  C  CG2  . ILE   A 1 59  ? -17.787 3.888   9.976   1.000 18.367 0 171 ILE   A CG2  1 ? 
ATOM   991  C  CD1  . ILE   A 1 59  ? -16.604 5.477   12.218  1.000 22.767 0 171 ILE   A CD1  1 ? 
ATOM   992  H  H    . ILE   A 1 59  ? -20.188 6.922   11.360  1.000 15.293 0 171 ILE   A H    1 c 
ATOM   993  H  HA   . ILE   A 1 59  ? -18.022 6.463   9.655   1.000 15.911 0 171 ILE   A HA   1 c 
ATOM   994  H  HB   . ILE   A 1 59  ? -19.504 4.424   10.934  1.000 18.297 0 171 ILE   A HB   1 c 
ATOM   995  H  HG12 . ILE   A 1 59  ? -18.572 5.813   12.633  1.000 21.193 0 171 ILE   A HG12 1 c 
ATOM   996  H  HG13 . ILE   A 1 59  ? -18.175 4.288   12.736  1.000 21.282 0 171 ILE   A HG13 1 c 
ATOM   997  H  HG21 . ILE   A 1 59  ? -17.557 3.112   10.514  1.000 18.298 0 171 ILE   A HG21 1 c 
ATOM   998  H  HG22 . ILE   A 1 59  ? -16.972 4.335   9.691   1.000 18.432 0 171 ILE   A HG22 1 c 
ATOM   999  H  HG23 . ILE   A 1 59  ? -18.287 3.600   9.194   1.000 18.331 0 171 ILE   A HG23 1 c 
ATOM   1000 H  HD11 . ILE   A 1 59  ? -16.065 4.742   11.870  1.000 22.617 0 171 ILE   A HD11 1 c 
ATOM   1001 H  HD12 . ILE   A 1 59  ? -16.331 5.672   13.134  1.000 22.560 0 171 ILE   A HD12 1 c 
ATOM   1002 H  HD13 . ILE   A 1 59  ? -16.465 6.269   11.664  1.000 22.637 0 171 ILE   A HD13 1 c 
ATOM   1003 N  N    . VAL   A 1 60  ? -19.269 5.910   7.587   1.000 14.261 0 172 VAL   A N    1 ? 
ATOM   1004 C  CA   . VAL   A 1 60  ? -19.976 5.479   6.398   1.000 13.931 0 172 VAL   A CA   1 ? 
ATOM   1005 C  C    . VAL   A 1 60  ? -19.333 4.214   5.854   1.000 13.215 0 172 VAL   A C    1 ? 
ATOM   1006 O  O    . VAL   A 1 60  ? -18.115 4.210   5.670   1.000 15.061 0 172 VAL   A O    1 ? 
ATOM   1007 C  CB   . VAL   A 1 60  ? -19.971 6.616   5.366   1.000 15.154 0 172 VAL   A CB   1 ? 
ATOM   1008 C  CG1  . VAL   A 1 60  ? -20.659 6.197   4.072   1.000 16.161 0 172 VAL   A CG1  1 ? 
ATOM   1009 C  CG2  . VAL   A 1 60  ? -20.611 7.878   5.936   1.000 16.873 0 172 VAL   A CG2  1 ? 
ATOM   1010 H  H    . VAL   A 1 60  ? -18.442 6.286   7.489   1.000 14.286 0 172 VAL   A H    1 c 
ATOM   1011 H  HA   . VAL   A 1 60  ? -20.902 5.282   6.638   1.000 14.009 0 172 VAL   A HA   1 c 
ATOM   1012 H  HB   . VAL   A 1 60  ? -19.029 6.819   5.158   1.000 15.141 0 172 VAL   A HB   1 c 
ATOM   1013 H  HG11 . VAL   A 1 60  ? -21.561 5.894   4.268   1.000 16.030 0 172 VAL   A HG11 1 c 
ATOM   1014 H  HG12 . VAL   A 1 60  ? -20.159 5.476   3.654   1.000 15.959 0 172 VAL   A HG12 1 c 
ATOM   1015 H  HG13 . VAL   A 1 60  ? -20.698 6.956   3.466   1.000 15.894 0 172 VAL   A HG13 1 c 
ATOM   1016 H  HG21 . VAL   A 1 60  ? -20.626 8.571   5.255   1.000 16.427 0 172 VAL   A HG21 1 c 
ATOM   1017 H  HG22 . VAL   A 1 60  ? -20.096 8.188   6.700   1.000 16.467 0 172 VAL   A HG22 1 c 
ATOM   1018 H  HG23 . VAL   A 1 60  ? -21.520 7.682   6.217   1.000 16.651 0 172 VAL   A HG23 1 c 
ATOM   1019 N  N    . CYS   A 1 61  ? -20.143 3.187   5.598   1.000 13.370 0 173 CYS   A N    1 ? 
ATOM   1020 C  CA   . CYS   A 1 61  ? -19.684 1.965   4.961   1.000 13.437 0 173 CYS   A CA   1 ? 
ATOM   1021 C  C    . CYS   A 1 61  ? -20.447 1.743   3.667   1.000 13.299 0 173 CYS   A C    1 ? 
ATOM   1022 O  O    . CYS   A 1 61  ? -21.668 2.006   3.618   1.000 14.698 0 173 CYS   A O    1 ? 
ATOM   1023 C  CB   . CYS   A 1 61  ? -19.841 0.750   5.867   1.000 15.101 0 173 CYS   A CB   1 ? 
ATOM   1024 S  SG   . CYS   A 1 61  ? -18.838 0.847   7.370   1.000 17.178 0 173 CYS   A SG   1 ? 
ATOM   1025 H  H    . CYS   A 1 61  ? -21.025 3.250   5.830   1.000 13.380 0 173 CYS   A H    1 c 
ATOM   1026 H  HA   . CYS   A 1 61  ? -18.728 2.074   4.746   1.000 13.408 0 173 CYS   A HA   1 c 
ATOM   1027 H  HB2  . CYS   A 1 61  ? -20.785 0.661   6.127   1.000 15.119 0 173 CYS   A HB2  1 c 
ATOM   1028 H  HB3  . CYS   A 1 61  ? -19.585 -0.058  5.371   1.000 14.966 0 173 CYS   A HB3  1 c 
ATOM   1029 H  HG   . CYS   A 1 61  ? -19.160 -0.214  7.858   0.000 17.473 0 173 CYS   A HG   1 c 
ATOM   1030 N  N    . ASN   A 1 62  ? -19.769 1.236   2.633   1.000 12.894 0 174 ASN   A N    1 ? 
ATOM   1031 C  CA   . ASN   A 1 62  ? -20.428 1.012   1.354   1.000 13.366 0 174 ASN   A CA   1 ? 
ATOM   1032 C  C    . ASN   A 1 62  ? -19.610 0.030   0.519   1.000 12.987 0 174 ASN   A C    1 ? 
ATOM   1033 O  O    . ASN   A 1 62  ? -18.518 -0.374  0.919   1.000 13.443 0 174 ASN   A O    1 ? 
ATOM   1034 C  CB   . ASN   A 1 62  ? -20.641 2.341   0.633   1.000 14.134 0 174 ASN   A CB   1 ? 
ATOM   1035 C  CG   . ASN   A 1 62  ? -21.813 2.362   -0.329  1.000 13.730 0 174 ASN   A CG   1 ? 
ATOM   1036 O  OD1  . ASN   A 1 62  ? -22.411 1.330   -0.657  1.000 14.709 0 174 ASN   A OD1  1 ? 
ATOM   1037 N  ND2  . ASN   A 1 62  ? -22.132 3.540   -0.828  1.000 15.272 0 174 ASN   A ND2  1 ? 
ATOM   1038 H  H    . ASN   A 1 62  ? -18.883 1.027   2.723   1.000 13.037 0 174 ASN   A H    1 c 
ATOM   1039 H  HA   . ASN   A 1 62  ? -21.313 0.617   1.525   1.000 13.377 0 174 ASN   A HA   1 c 
ATOM   1040 H  HB2  . ASN   A 1 62  ? -20.776 3.043   1.301   1.000 13.902 0 174 ASN   A HB2  1 c 
ATOM   1041 H  HB3  . ASN   A 1 62  ? -19.828 2.561   0.137   1.000 14.001 0 174 ASN   A HB3  1 c 
ATOM   1042 H  HD21 . ASN   A 1 62  ? -21.699 4.267   -0.559  1.000 14.766 0 174 ASN   A HD21 1 c 
ATOM   1043 H  HD22 . ASN   A 1 62  ? -22.777 3.609   -1.431  1.000 14.732 0 174 ASN   A HD22 1 c 
ATOM   1044 N  N    . THR   A 1 63  ? -20.159 -0.284  -0.659  1.000 13.474 0 175 THR   A N    1 ? 
ATOM   1045 C  CA   . THR   A 1 63  ? -19.566 -1.127  -1.681  1.000 13.596 0 175 THR   A CA   1 ? 
ATOM   1046 C  C    . THR   A 1 63  ? -19.640 -0.364  -3.003  1.000 14.346 0 175 THR   A C    1 ? 
ATOM   1047 O  O    . THR   A 1 63  ? -20.628 0.329   -3.246  1.000 14.510 0 175 THR   A O    1 ? 
ATOM   1048 C  CB   . THR   A 1 63  ? -20.347 -2.448  -1.746  1.000 13.926 0 175 THR   A CB   1 ? 
ATOM   1049 O  OG1  . THR   A 1 63  ? -20.158 -3.175  -0.537  1.000 14.288 0 175 THR   A OG1  1 ? 
ATOM   1050 C  CG2  . THR   A 1 63  ? -20.011 -3.326  -2.934  1.000 15.011 0 175 THR   A CG2  1 ? 
ATOM   1051 H  H    . THR   A 1 63  ? -20.994 0.045   -0.828  1.000 13.334 0 175 THR   A H    1 c 
ATOM   1052 H  HA   . THR   A 1 63  ? -18.630 -1.308  -1.452  1.000 13.799 0 175 THR   A HA   1 c 
ATOM   1053 H  HB   . THR   A 1 63  ? -21.305 -2.224  -1.822  1.000 13.958 0 175 THR   A HB   1 c 
ATOM   1054 H  HG1  . THR   A 1 63  ? -19.316 -3.349  -0.420  0.000 14.465 0 175 THR   A HG1  1 c 
ATOM   1055 H  HG21 . THR   A 1 63  ? -20.545 -4.138  -2.899  1.000 14.782 0 175 THR   A HG21 1 c 
ATOM   1056 H  HG22 . THR   A 1 63  ? -19.069 -3.561  -2.910  1.000 14.868 0 175 THR   A HG22 1 c 
ATOM   1057 H  HG23 . THR   A 1 63  ? -20.204 -2.850  -3.757  1.000 14.778 0 175 THR   A HG23 1 c 
ATOM   1058 N  N    . LYS   A 1 64  ? -18.598 -0.487  -3.839  1.000 14.250 0 176 LYS   A N    1 ? 
ATOM   1059 C  CA   . LYS   A 1 64  ? -18.549 0.123   -5.159  1.000 14.701 0 176 LYS   A CA   1 ? 
ATOM   1060 C  C    . LYS   A 1 64  ? -18.471 -1.000  -6.187  1.000 14.636 0 176 LYS   A C    1 ? 
ATOM   1061 O  O    . LYS   A 1 64  ? -17.573 -1.828  -6.129  1.000 15.443 0 176 LYS   A O    1 ? 
ATOM   1062 C  CB   . LYS   A 1 64  ? -17.351 1.073   -5.258  1.000 16.354 0 176 LYS   A CB   1 ? 
ATOM   1063 C  CG   . LYS   A 1 64  ? -17.372 2.048   -6.439  1.000 18.760 0 176 LYS   A CG   1 ? 
ATOM   1064 C  CD   . LYS   A 1 64  ? -16.040 2.772   -6.579  1.000 22.244 0 176 LYS   A CD   1 ? 
ATOM   1065 C  CE   . LYS   A 1 64  ? -16.116 4.018   -7.374  1.000 26.444 0 176 LYS   A CE   1 ? 
ATOM   1066 N  NZ   . LYS   A 1 64  ? -14.764 4.572   -7.494  1.000 29.083 0 176 LYS   A NZ   1 ? 
ATOM   1067 H  H    . LYS   A 1 64  ? -17.879 -0.981  -3.567  1.000 14.363 0 176 LYS   A H    1 c 
ATOM   1068 H  HA   . LYS   A 1 64  ? -19.380 0.638   -5.301  1.000 14.734 0 176 LYS   A HA   1 c 
ATOM   1069 H  HB2  . LYS   A 1 64  ? -17.300 1.595   -4.430  1.000 16.316 0 176 LYS   A HB2  1 c 
ATOM   1070 H  HB3  . LYS   A 1 64  ? -16.533 0.536   -5.319  1.000 16.340 0 176 LYS   A HB3  1 c 
ATOM   1071 H  HG2  . LYS   A 1 64  ? -17.563 1.550   -7.263  1.000 18.667 0 176 LYS   A HG2  1 c 
ATOM   1072 H  HG3  . LYS   A 1 64  ? -18.089 2.705   -6.299  1.000 18.653 0 176 LYS   A HG3  1 c 
ATOM   1073 H  HD2  . LYS   A 1 64  ? -15.702 2.987   -5.683  1.000 22.073 0 176 LYS   A HD2  1 c 
ATOM   1074 H  HD3  . LYS   A 1 64  ? -15.395 2.164   -7.003  1.000 22.186 0 176 LYS   A HD3  1 c 
ATOM   1075 H  HE2  . LYS   A 1 64  ? -16.473 3.836   -8.261  1.000 25.863 0 176 LYS   A HE2  1 c 
ATOM   1076 H  HE3  . LYS   A 1 64  ? -16.694 4.665   -6.930  1.000 25.891 0 176 LYS   A HE3  1 c 
ATOM   1077 H  HZ1  . LYS   A 1 64  ? -14.229 3.987   -7.933  1.000 28.420 0 176 LYS   A HZ1  1 c 
ATOM   1078 H  HZ2  . LYS   A 1 64  ? -14.421 4.730   -6.670  1.000 28.325 0 176 LYS   A HZ2  1 c 
ATOM   1079 H  HZ3  . LYS   A 1 64  ? -14.794 5.350   -7.956  1.000 28.502 0 176 LYS   A HZ3  1 c 
ATOM   1080 N  N    . LEU   A 1 65  ? -19.469 -1.056  -7.075  1.000 14.180 0 177 LEU   A N    1 ? 
ATOM   1081 C  CA   . LEU   A 1 65  ? -19.576 -2.082  -8.106  1.000 15.077 0 177 LEU   A CA   1 ? 
ATOM   1082 C  C    . LEU   A 1 65  ? -19.649 -1.383  -9.457  1.000 15.834 0 177 LEU   A C    1 ? 
ATOM   1083 O  O    . LEU   A 1 65  ? -20.504 -0.510  -9.637  1.000 17.930 0 177 LEU   A O    1 ? 
ATOM   1084 C  CB   . LEU   A 1 65  ? -20.818 -2.956  -7.902  1.000 16.310 0 177 LEU   A CB   1 ? 
ATOM   1085 C  CG   . LEU   A 1 65  ? -20.914 -3.722  -6.582  1.000 18.280 0 177 LEU   A CG   1 ? 
ATOM   1086 C  CD1  . LEU   A 1 65  ? -22.221 -4.484  -6.492  1.000 19.657 0 177 LEU   A CD1  1 ? 
ATOM   1087 C  CD2  . LEU   A 1 65  ? -19.729 -4.658  -6.422  1.000 19.282 0 177 LEU   A CD2  1 ? 
ATOM   1088 H  H    . LEU   A 1 65  ? -20.121 -0.417  -7.038  1.000 14.329 0 177 LEU   A H    1 c 
ATOM   1089 H  HA   . LEU   A 1 65  ? -18.767 -2.647  -8.080  1.000 15.205 0 177 LEU   A HA   1 c 
ATOM   1090 H  HB2  . LEU   A 1 65  ? -21.613 -2.379  -7.983  1.000 16.349 0 177 LEU   A HB2  1 c 
ATOM   1091 H  HB3  . LEU   A 1 65  ? -20.857 -3.607  -8.640  1.000 16.361 0 177 LEU   A HB3  1 c 
ATOM   1092 H  HG   . LEU   A 1 65  ? -20.891 -3.064  -5.841  1.000 18.148 0 177 LEU   A HG   1 c 
ATOM   1093 H  HD11 . LEU   A 1 65  ? -22.965 -3.861  -6.551  1.000 19.364 0 177 LEU   A HD11 1 c 
ATOM   1094 H  HD12 . LEU   A 1 65  ? -22.263 -4.958  -5.644  1.000 19.322 0 177 LEU   A HD12 1 c 
ATOM   1095 H  HD13 . LEU   A 1 65  ? -22.277 -5.123  -7.222  1.000 19.349 0 177 LEU   A HD13 1 c 
ATOM   1096 H  HD21 . LEU   A 1 65  ? -18.908 -4.141  -6.373  1.000 19.040 0 177 LEU   A HD21 1 c 
ATOM   1097 H  HD22 . LEU   A 1 65  ? -19.686 -5.262  -7.182  1.000 19.054 0 177 LEU   A HD22 1 c 
ATOM   1098 H  HD23 . LEU   A 1 65  ? -19.832 -5.175  -5.605  1.000 18.979 0 177 LEU   A HD23 1 c 
ATOM   1099 N  N    . ASP   A 1 66  ? -18.800 -1.791  -10.407 1.000 17.392 0 178 ASP   A N    1 ? 
ATOM   1100 C  CA   . ASP   A 1 66  ? -18.786 -1.196  -11.737 1.000 18.900 0 178 ASP   A CA   1 ? 
ATOM   1101 C  C    . ASP   A 1 66  ? -18.683 0.328   -11.636 1.000 18.512 0 178 ASP   A C    1 ? 
ATOM   1102 O  O    . ASP   A 1 66  ? -19.322 1.075   -12.395 1.000 21.178 0 178 ASP   A O    1 ? 
ATOM   1103 C  CB   . ASP   A 1 66  ? -20.002 -1.671  -12.523 1.000 21.610 0 178 ASP   A CB   1 ? 
ATOM   1104 C  CG   . ASP   A 1 66  ? -19.948 -3.128  -12.967 1.000 25.657 0 178 ASP   A CG   1 ? 
ATOM   1105 O  OD1  . ASP   A 1 66  ? -18.863 -3.747  -12.870 1.000 27.558 0 178 ASP   A OD1  1 ? 
ATOM   1106 O  OD2  . ASP   A 1 66  ? -20.987 -3.640  -13.411 1.000 30.598 0 178 ASP   A OD2  1 ? 
ATOM   1107 H  H    . ASP   A 1 66  ? -18.209 -2.463  -10.222 1.000 17.148 0 178 ASP   A H    1 c 
ATOM   1108 H  HA   . ASP   A 1 66  ? -17.986 -1.523  -12.207 1.000 18.956 0 178 ASP   A HA   1 c 
ATOM   1109 H  HB2  . ASP   A 1 66  ? -20.811 -1.546  -11.985 1.000 21.654 0 178 ASP   A HB2  1 c 
ATOM   1110 H  HB3  . ASP   A 1 66  ? -20.092 -1.121  -13.329 1.000 21.600 0 178 ASP   A HB3  1 c 
ATOM   1111 N  N    . ASN   A 1 67  ? -17.898 0.781   -10.651 1.000 19.124 0 179 ASN   A N    1 ? 
ATOM   1112 C  CA   . ASN   A 1 67  ? -17.554 2.181   -10.458 1.000 21.114 0 179 ASN   A CA   1 ? 
ATOM   1113 C  C    . ASN   A 1 67  ? -18.723 2.992   -9.894  1.000 21.355 0 179 ASN   A C    1 ? 
ATOM   1114 O  O    . ASN   A 1 67  ? -18.643 4.209   -9.889  1.000 23.441 0 179 ASN   A O    1 ? 
ATOM   1115 C  CB   . ASN   A 1 67  ? -16.982 2.792   -11.737 1.000 21.480 0 179 ASN   A CB   1 ? 
ATOM   1116 C  CG   . ASN   A 1 67  ? -15.735 3.601   -11.488 1.000 22.200 0 179 ASN   A CG   1 ? 
ATOM   1117 O  OD1  . ASN   A 1 67  ? -14.861 3.185   -10.713 1.000 21.950 0 179 ASN   A OD1  1 ? 
ATOM   1118 N  ND2  . ASN   A 1 67  ? -15.603 4.726   -12.170 1.000 22.962 0 179 ASN   A ND2  1 ? 
ATOM   1119 H  H    . ASN   A 1 67  ? -17.538 0.174   -10.070 1.000 19.260 0 179 ASN   A H    1 c 
ATOM   1120 H  HA   . ASN   A 1 67  ? -16.838 2.207   -9.785  1.000 20.893 0 179 ASN   A HA   1 c 
ATOM   1121 H  HB2  . ASN   A 1 67  ? -16.772 2.077   -12.369 1.000 21.488 0 179 ASN   A HB2  1 c 
ATOM   1122 H  HB3  . ASN   A 1 67  ? -17.659 3.366   -12.148 1.000 21.572 0 179 ASN   A HB3  1 c 
ATOM   1123 H  HD21 . ASN   A 1 67  ? -16.217 4.965   -12.765 1.000 22.805 0 179 ASN   A HD21 1 c 
ATOM   1124 H  HD22 . ASN   A 1 67  ? -14.896 5.244   -12.032 1.000 22.670 0 179 ASN   A HD22 1 c 
ATOM   1125 N  N    . ASN   A 1 68  ? -19.771 2.331   -9.372  1.000 20.315 0 180 ASN   A N    1 ? 
ATOM   1126 C  CA   . ASN   A 1 68  ? -20.896 3.000   -8.733  1.000 21.585 0 180 ASN   A CA   1 ? 
ATOM   1127 C  C    . ASN   A 1 68  ? -21.014 2.617   -7.256  1.000 19.403 0 180 ASN   A C    1 ? 
ATOM   1128 O  O    . ASN   A 1 68  ? -21.059 1.437   -6.905  1.000 18.302 0 180 ASN   A O    1 ? 
ATOM   1129 C  CB   . ASN   A 1 68  ? -22.213 2.658   -9.419  1.000 23.225 0 180 ASN   A CB   1 ? 
ATOM   1130 C  CG   . ASN   A 1 68  ? -22.209 2.945   -10.899 1.000 28.073 0 180 ASN   A CG   1 ? 
ATOM   1131 O  OD1  . ASN   A 1 68  ? -22.614 2.085   -11.692 1.000 35.257 0 180 ASN   A OD1  1 ? 
ATOM   1132 N  ND2  . ASN   A 1 68  ? -21.794 4.139   -11.293 1.000 30.040 0 180 ASN   A ND2  1 ? 
ATOM   1133 H  H    . ASN   A 1 68  ? -19.779 1.419   -9.408  1.000 20.680 0 180 ASN   A H    1 c 
ATOM   1134 H  HA   . ASN   A 1 68  ? -20.767 3.972   -8.802  1.000 21.231 0 180 ASN   A HA   1 c 
ATOM   1135 H  HB2  . ASN   A 1 68  ? -22.405 1.708   -9.282  1.000 23.668 0 180 ASN   A HB2  1 c 
ATOM   1136 H  HB3  . ASN   A 1 68  ? -22.932 3.171   -8.999  1.000 23.433 0 180 ASN   A HB3  1 c 
ATOM   1137 H  HD21 . ASN   A 1 68  ? -21.784 4.818   -10.721 1.000 29.301 0 180 ASN   A HD21 1 c 
ATOM   1138 H  HD22 . ASN   A 1 68  ? -21.529 4.259   -12.132 1.000 29.482 0 180 ASN   A HD22 1 c 
ATOM   1139 N  N    . TRP   A 1 69  ? -21.128 3.632   -6.392  1.000 18.433 0 181 TRP   A N    1 ? 
ATOM   1140 C  CA   . TRP   A 1 69  ? -21.400 3.408   -4.975  1.000 17.417 0 181 TRP   A CA   1 ? 
ATOM   1141 C  C    . TRP   A 1 69  ? -22.835 2.932   -4.748  1.000 16.984 0 181 TRP   A C    1 ? 
ATOM   1142 O  O    . TRP   A 1 69  ? -23.757 3.415   -5.385  1.000 19.570 0 181 TRP   A O    1 ? 
ATOM   1143 C  CB   . TRP   A 1 69  ? -21.108 4.684   -4.174  1.000 16.948 0 181 TRP   A CB   1 ? 
ATOM   1144 C  CG   . TRP   A 1 69  ? -19.637 4.993   -4.099  1.000 17.334 0 181 TRP   A CG   1 ? 
ATOM   1145 C  CD1  . TRP   A 1 69  ? -18.962 5.959   -4.782  1.000 18.134 0 181 TRP   A CD1  1 ? 
ATOM   1146 C  CD2  . TRP   A 1 69  ? -18.654 4.263   -3.342  1.000 16.611 0 181 TRP   A CD2  1 ? 
ATOM   1147 N  NE1  . TRP   A 1 69  ? -17.633 5.918   -4.466  1.000 18.618 0 181 TRP   A NE1  1 ? 
ATOM   1148 C  CE2  . TRP   A 1 69  ? -17.410 4.881   -3.594  1.000 17.479 0 181 TRP   A CE2  1 ? 
ATOM   1149 C  CE3  . TRP   A 1 69  ? -18.705 3.168   -2.466  1.000 16.341 0 181 TRP   A CE3  1 ? 
ATOM   1150 C  CZ2  . TRP   A 1 69  ? -16.226 4.432   -3.010  1.000 17.777 0 181 TRP   A CZ2  1 ? 
ATOM   1151 C  CZ3  . TRP   A 1 69  ? -17.525 2.709   -1.913  1.000 16.471 0 181 TRP   A CZ3  1 ? 
ATOM   1152 C  CH2  . TRP   A 1 69  ? -16.307 3.343   -2.174  1.000 16.913 0 181 TRP   A CH2  1 ? 
ATOM   1153 H  H    . TRP   A 1 69  ? -21.032 4.490   -6.692  1.000 18.382 0 181 TRP   A H    1 c 
ATOM   1154 H  HA   . TRP   A 1 69  ? -20.781 2.699   -4.653  1.000 17.424 0 181 TRP   A HA   1 c 
ATOM   1155 H  HB2  . TRP   A 1 69  ? -21.572 5.437   -4.599  1.000 17.119 0 181 TRP   A HB2  1 c 
ATOM   1156 H  HB3  . TRP   A 1 69  ? -21.458 4.573   -3.265  1.000 17.057 0 181 TRP   A HB3  1 c 
ATOM   1157 H  HD1  . TRP   A 1 69  ? -19.353 6.596   -5.359  1.000 17.903 0 181 TRP   A HD1  1 c 
ATOM   1158 H  HE1  . TRP   A 1 69  ? -17.021 6.452   -4.786  1.000 18.113 0 181 TRP   A HE1  1 c 
ATOM   1159 H  HE3  . TRP   A 1 69  ? -19.522 2.733   -2.289  1.000 16.434 0 181 TRP   A HE3  1 c 
ATOM   1160 H  HZ2  . TRP   A 1 69  ? -15.402 4.848   -3.196  1.000 17.525 0 181 TRP   A HZ2  1 c 
ATOM   1161 H  HZ3  . TRP   A 1 69  ? -17.546 1.976   -1.321  1.000 16.607 0 181 TRP   A HZ3  1 c 
ATOM   1162 H  HH2  . TRP   A 1 69  ? -15.523 3.017   -1.769  1.000 16.915 0 181 TRP   A HH2  1 c 
ATOM   1163 N  N    . GLY   A 1 70  ? -23.001 1.973   -3.835  1.000 16.200 0 182 GLY   A N    1 ? 
ATOM   1164 C  CA   . GLY   A 1 70  ? -24.308 1.424   -3.518  1.000 16.688 0 182 GLY   A CA   1 ? 
ATOM   1165 C  C    . GLY   A 1 70  ? -24.935 2.119   -2.313  1.000 17.251 0 182 GLY   A C    1 ? 
ATOM   1166 O  O    . GLY   A 1 70  ? -24.702 3.299   -2.054  1.000 16.791 0 182 GLY   A O    1 ? 
ATOM   1167 H  H    . GLY   A 1 70  ? -22.272 1.649   -3.389  1.000 16.291 0 182 GLY   A H    1 c 
ATOM   1168 H  HA2  . GLY   A 1 70  ? -24.901 1.522   -4.300  1.000 16.694 0 182 GLY   A HA2  1 c 
ATOM   1169 H  HA3  . GLY   A 1 70  ? -24.212 0.461   -3.330  1.000 16.713 0 182 GLY   A HA3  1 c 
ATOM   1170 N  N    . ARG   A 1 71  ? -25.744 1.356   -1.581  1.000 17.396 0 183 ARG   A N    1 ? 
ATOM   1171 C  CA   . ARG   A 1 71  ? -26.443 1.833   -0.403  1.000 18.245 0 183 ARG   A CA   1 ? 
ATOM   1172 C  C    . ARG   A 1 71  ? -25.499 1.985   0.790   1.000 16.826 0 183 ARG   A C    1 ? 
ATOM   1173 O  O    . ARG   A 1 71  ? -24.840 1.016   1.183   1.000 17.057 0 183 ARG   A O    1 ? 
ATOM   1174 C  CB   . ARG   A 1 71  ? -27.510 0.773   -0.111  1.000 20.664 0 183 ARG   A CB   1 ? 
ATOM   1175 C  CG   . ARG   A 1 71  ? -28.072 0.807   1.299   1.000 24.057 0 183 ARG   A CG   1 ? 
ATOM   1176 C  CD   . ARG   A 1 71  ? -28.936 2.009   1.450   1.000 26.352 0 183 ARG   A CD   1 ? 
ATOM   1177 N  NE   . ARG   A 1 71  ? -30.132 2.049   0.592   1.000 26.557 0 183 ARG   A NE   1 ? 
ATOM   1178 C  CZ   . ARG   A 1 71  ? -31.010 3.030   0.707   1.000 25.434 0 183 ARG   A CZ   1 ? 
ATOM   1179 N  NH1  . ARG   A 1 71  ? -32.033 3.147   -0.130  1.000 24.574 0 183 ARG   A NH1  1 ? 
ATOM   1180 N  NH2  . ARG   A 1 71  ? -30.827 3.918   1.660   1.000 26.621 0 183 ARG   A NH2  1 ? 
ATOM   1181 H  H    . ARG   A 1 71  ? -25.865 0.486   -1.834  1.000 17.489 0 183 ARG   A H    1 c 
ATOM   1182 H  HA   . ARG   A 1 71  ? -26.868 2.704   -0.610  1.000 18.146 0 183 ARG   A HA   1 c 
ATOM   1183 H  HB2  . ARG   A 1 71  ? -28.246 0.888   -0.748  1.000 20.584 0 183 ARG   A HB2  1 c 
ATOM   1184 H  HB3  . ARG   A 1 71  ? -27.123 -0.115  -0.267  1.000 20.646 0 183 ARG   A HB3  1 c 
ATOM   1185 H  HG2  . ARG   A 1 71  ? -28.607 -0.001  1.461   1.000 23.550 0 183 ARG   A HG2  1 c 
ATOM   1186 H  HG3  . ARG   A 1 71  ? -27.344 0.840   1.955   1.000 23.587 0 183 ARG   A HG3  1 c 
ATOM   1187 H  HD2  . ARG   A 1 71  ? -29.216 2.050   2.387   1.000 25.904 0 183 ARG   A HD2  1 c 
ATOM   1188 H  HD3  . ARG   A 1 71  ? -28.391 2.802   1.270   1.000 25.857 0 183 ARG   A HD3  1 c 
ATOM   1189 H  HE   . ARG   A 1 71  ? -30.266 1.416   0.009   1.000 26.144 0 183 ARG   A HE   1 c 
ATOM   1190 H  HH11 . ARG   A 1 71  ? -32.616 3.805   -0.028  1.000 24.664 0 183 ARG   A HH11 1 c 
ATOM   1191 H  HH12 . ARG   A 1 71  ? -32.130 2.567   -0.790  1.000 24.781 0 183 ARG   A HH12 1 c 
ATOM   1192 H  HH21 . ARG   A 1 71  ? -31.450 4.530   1.799   1.000 26.418 0 183 ARG   A HH21 1 c 
ATOM   1193 H  HH22 . ARG   A 1 71  ? -30.101 3.924   2.159   1.000 26.188 0 183 ARG   A HH22 1 c 
ATOM   1194 N  N    . GLU   A 1 72  ? -25.428 3.197   1.364   1.000 15.840 0 184 GLU   A N    1 ? 
ATOM   1195 C  CA   . GLU   A 1 72  ? -24.591 3.444   2.533   1.000 15.221 0 184 GLU   A CA   1 ? 
ATOM   1196 C  C    . GLU   A 1 72  ? -25.192 2.812   3.792   1.000 15.400 0 184 GLU   A C    1 ? 
ATOM   1197 O  O    . GLU   A 1 72  ? -26.403 2.861   4.008   1.000 17.214 0 184 GLU   A O    1 ? 
ATOM   1198 C  CB   . GLU   A 1 72  ? -24.423 4.946   2.746   1.000 16.039 0 184 GLU   A CB   1 ? 
ATOM   1199 C  CG   . GLU   A 1 72  ? -23.524 5.589   1.696   1.000 16.867 0 184 GLU   A CG   1 ? 
ATOM   1200 C  CD   . GLU   A 1 72  ? -23.351 7.084   1.825   1.000 18.516 0 184 GLU   A CD   1 ? 
ATOM   1201 O  OE1  . GLU   A 1 72  ? -24.113 7.722   2.589   1.000 19.731 0 184 GLU   A OE1  1 ? 
ATOM   1202 O  OE2  . GLU   A 1 72  ? -22.429 7.607   1.160   1.000 18.717 0 184 GLU   A OE2  1 ? 
ATOM   1203 H  H    . GLU   A 1 72  ? -25.913 3.888   1.016   1.000 15.885 0 184 GLU   A H    1 c 
ATOM   1204 H  HA   . GLU   A 1 72  ? -23.701 3.045   2.367   1.000 15.427 0 184 GLU   A HA   1 c 
ATOM   1205 H  HB2  . GLU   A 1 72  ? -25.305 5.370   2.724   1.000 16.028 0 184 GLU   A HB2  1 c 
ATOM   1206 H  HB3  . GLU   A 1 72  ? -24.039 5.100   3.635   1.000 16.006 0 184 GLU   A HB3  1 c 
ATOM   1207 H  HG2  . GLU   A 1 72  ? -22.637 5.172   1.742   1.000 16.911 0 184 GLU   A HG2  1 c 
ATOM   1208 H  HG3  . GLU   A 1 72  ? -23.890 5.396   0.807   1.000 16.932 0 184 GLU   A HG3  1 c 
ATOM   1209 N  N    . GLU   A 1 73  ? -24.332 2.213   4.618   1.000 15.884 0 185 GLU   A N    1 ? 
ATOM   1210 C  CA   . GLU   A 1 73  ? -24.682 1.846   5.979   1.000 15.639 0 185 GLU   A CA   1 ? 
ATOM   1211 C  C    . GLU   A 1 73  ? -23.944 2.809   6.899   1.000 15.372 0 185 GLU   A C    1 ? 
ATOM   1212 O  O    . GLU   A 1 73  ? -22.729 2.917   6.805   1.000 16.919 0 185 GLU   A O    1 ? 
ATOM   1213 C  CB   . GLU   A 1 73  ? -24.334 0.380   6.242   1.000 16.671 0 185 GLU   A CB   1 ? 
ATOM   1214 C  CG   . GLU   A 1 73  ? -25.143 -0.601  5.395   1.000 18.064 0 185 GLU   A CG   1 ? 
ATOM   1215 C  CD   . GLU   A 1 73  ? -24.748 -2.057  5.582   1.000 18.108 0 185 GLU   A CD   1 ? 
ATOM   1216 O  OE1  . GLU   A 1 73  ? -24.488 -2.453  6.733   1.000 20.310 0 185 GLU   A OE1  1 ? 
ATOM   1217 O  OE2  . GLU   A 1 73  ? -24.711 -2.797  4.578   1.000 19.658 0 185 GLU   A OE2  1 ? 
ATOM   1218 H  H    . GLU   A 1 73  ? -23.489 2.024   4.320   1.000 15.860 0 185 GLU   A H    1 c 
ATOM   1219 H  HA   . GLU   A 1 73  ? -25.657 1.969   6.101   1.000 15.694 0 185 GLU   A HA   1 c 
ATOM   1220 H  HB2  . GLU   A 1 73  ? -23.381 0.245   6.062   1.000 16.682 0 185 GLU   A HB2  1 c 
ATOM   1221 H  HB3  . GLU   A 1 73  ? -24.490 0.186   7.190   1.000 16.697 0 185 GLU   A HB3  1 c 
ATOM   1222 H  HG2  . GLU   A 1 73  ? -26.094 -0.506  5.616   1.000 17.944 0 185 GLU   A HG2  1 c 
ATOM   1223 H  HG3  . GLU   A 1 73  ? -25.036 -0.370  4.447   1.000 17.829 0 185 GLU   A HG3  1 c 
ATOM   1224 N  N    . ARG   A 1 74  ? -24.661 3.505   7.775   1.000 15.555 0 186 ARG   A N    1 ? 
ATOM   1225 C  CA   . ARG   A 1 74  ? -24.083 4.561   8.591   1.000 16.507 0 186 ARG   A CA   1 ? 
ATOM   1226 C  C    . ARG   A 1 74  ? -24.165 4.188   10.069  1.000 18.729 0 186 ARG   A C    1 ? 
ATOM   1227 O  O    . ARG   A 1 74  ? -25.138 3.570   10.503  1.000 20.438 0 186 ARG   A O    1 ? 
ATOM   1228 C  CB   . ARG   A 1 74  ? -24.804 5.869   8.261   1.000 17.826 0 186 ARG   A CB   1 ? 
ATOM   1229 C  CG   . ARG   A 1 74  ? -24.401 6.462   6.919   1.000 19.347 0 186 ARG   A CG   1 ? 
ATOM   1230 C  CD   . ARG   A 1 74  ? -25.476 7.375   6.330   1.000 20.012 0 186 ARG   A CD   1 ? 
ATOM   1231 N  NE   . ARG   A 1 74  ? -24.895 8.175   5.247   1.000 20.131 0 186 ARG   A NE   1 ? 
ATOM   1232 C  CZ   . ARG   A 1 74  ? -24.154 9.273   5.451   1.000 18.553 0 186 ARG   A CZ   1 ? 
ATOM   1233 N  NH1  . ARG   A 1 74  ? -24.155 9.847   6.635   1.000 21.213 0 186 ARG   A NH1  1 ? 
ATOM   1234 N  NH2  . ARG   A 1 74  ? -23.504 9.853   4.455   1.000 19.570 0 186 ARG   A NH2  1 ? 
ATOM   1235 H  H    . ARG   A 1 74  ? -25.550 3.315   7.874   1.000 15.738 0 186 ARG   A H    1 c 
ATOM   1236 H  HA   . ARG   A 1 74  ? -23.132 4.661   8.343   1.000 16.687 0 186 ARG   A HA   1 c 
ATOM   1237 H  HB2  . ARG   A 1 74  ? -25.772 5.706   8.259   1.000 17.792 0 186 ARG   A HB2  1 c 
ATOM   1238 H  HB3  . ARG   A 1 74  ? -24.613 6.524   8.967   1.000 17.792 0 186 ARG   A HB3  1 c 
ATOM   1239 H  HG2  . ARG   A 1 74  ? -23.572 6.975   7.031   1.000 19.284 0 186 ARG   A HG2  1 c 
ATOM   1240 H  HG3  . ARG   A 1 74  ? -24.221 5.733   6.285   1.000 19.084 0 186 ARG   A HG3  1 c 
ATOM   1241 H  HD2  . ARG   A 1 74  ? -26.209 6.833   5.976   1.000 19.821 0 186 ARG   A HD2  1 c 
ATOM   1242 H  HD3  . ARG   A 1 74  ? -25.839 7.964   7.022   1.000 19.992 0 186 ARG   A HD3  1 c 
ATOM   1243 H  HE   . ARG   A 1 74  ? -25.040 7.923   4.426   1.000 19.716 0 186 ARG   A HE   1 c 
ATOM   1244 H  HH11 . ARG   A 1 74  ? -23.661 10.566  6.771   1.000 20.436 0 186 ARG   A HH11 1 c 
ATOM   1245 H  HH12 . ARG   A 1 74  ? -24.639 9.527   7.298   1.000 20.478 0 186 ARG   A HH12 1 c 
ATOM   1246 H  HH21 . ARG   A 1 74  ? -23.022 10.578  4.601   1.000 19.313 0 186 ARG   A HH21 1 c 
ATOM   1247 H  HH22 . ARG   A 1 74  ? -23.555 9.512   3.641   1.000 19.270 0 186 ARG   A HH22 1 c 
ATOM   1248 N  N    . GLN   A 1 75  ? -23.145 4.617   10.829  1.000 19.793 0 187 GLN   A N    1 ? 
ATOM   1249 C  CA   . GLN   A 1 75  ? -23.035 4.404   12.268  1.000 23.381 0 187 GLN   A CA   1 ? 
ATOM   1250 C  C    . GLN   A 1 75  ? -22.602 5.728   12.906  1.000 23.703 0 187 GLN   A C    1 ? 
ATOM   1251 O  O    . GLN   A 1 75  ? -21.610 6.306   12.464  1.000 23.974 0 187 GLN   A O    1 ? 
ATOM   1252 C  CB   . GLN   A 1 75  ? -22.005 3.278   12.464  1.000 26.011 0 187 GLN   A CB   1 ? 
ATOM   1253 C  CG   . GLN   A 1 75  ? -21.435 3.090   13.869  1.000 30.512 0 187 GLN   A CG   1 ? 
ATOM   1254 C  CD   . GLN   A 1 75  ? -22.452 2.666   14.906  1.000 33.460 0 187 GLN   A CD   1 ? 
ATOM   1255 O  OE1  . GLN   A 1 75  ? -23.425 3.376   15.178  1.000 36.152 0 187 GLN   A OE1  1 ? 
ATOM   1256 N  NE2  . GLN   A 1 75  ? -22.212 1.521   15.533  1.000 37.682 0 187 GLN   A NE2  1 ? 
ATOM   1257 H  H    . GLN   A 1 75  ? -22.470 5.075   10.416  1.000 19.924 0 187 GLN   A H    1 c 
ATOM   1258 H  HA   . GLN   A 1 75  ? -23.918 4.133   12.627  1.000 23.109 0 187 GLN   A HA   1 c 
ATOM   1259 H  HB2  . GLN   A 1 75  ? -22.425 2.436   12.188  1.000 25.981 0 187 GLN   A HB2  1 c 
ATOM   1260 H  HB3  . GLN   A 1 75  ? -21.260 3.442   11.851  1.000 25.800 0 187 GLN   A HB3  1 c 
ATOM   1261 H  HG2  . GLN   A 1 75  ? -20.724 2.415   13.835  1.000 29.961 0 187 GLN   A HG2  1 c 
ATOM   1262 H  HG3  . GLN   A 1 75  ? -21.026 3.929   14.164  1.000 29.857 0 187 GLN   A HG3  1 c 
ATOM   1263 H  HE21 . GLN   A 1 75  ? -21.494 1.040   15.335  1.000 36.401 0 187 GLN   A HE21 1 c 
ATOM   1264 H  HE22 . GLN   A 1 75  ? -22.777 1.235   16.155  1.000 36.564 0 187 GLN   A HE22 1 c 
ATOM   1265 N  N    . SER   A 1 76  ? -23.303 6.183   13.960  1.000 23.824 0 188 SER   A N    1 ? 
ATOM   1266 C  CA   . SER   A 1 76  ? -22.923 7.402   14.673  1.000 24.988 0 188 SER   A CA   1 ? 
ATOM   1267 C  C    . SER   A 1 76  ? -21.918 7.122   15.793  1.000 24.491 0 188 SER   A C    1 ? 
ATOM   1268 O  O    . SER   A 1 76  ? -21.218 8.033   16.257  1.000 24.920 0 188 SER   A O    1 ? 
ATOM   1269 C  CB   . SER   A 1 76  ? -24.133 8.129   15.215  1.000 26.512 0 188 SER   A CB   1 ? 
ATOM   1270 O  OG   . SER   A 1 76  ? -24.837 8.769   14.163  1.000 30.396 0 188 SER   A OG   1 ? 
ATOM   1271 H  H    . SER   A 1 76  ? -24.039 5.720   14.242  1.000 23.961 0 188 SER   A H    1 c 
ATOM   1272 H  HA   . SER   A 1 76  ? -22.481 8.004   14.022  1.000 24.925 0 188 SER   A HA   1 c 
ATOM   1273 H  HB2  . SER   A 1 76  ? -24.722 7.491   15.662  1.000 26.854 0 188 SER   A HB2  1 c 
ATOM   1274 H  HB3  . SER   A 1 76  ? -23.847 8.795   15.869  1.000 26.843 0 188 SER   A HB3  1 c 
ATOM   1275 H  HG   . SER   A 1 76  ? -25.508 9.177   14.494  0.000 33.572 0 188 SER   A HG   1 c 
ATOM   1276 N  N    . VAL   A 1 77  ? -21.848 5.869   16.253  1.000 22.084 0 189 VAL   A N    1 ? 
ATOM   1277 C  CA   . VAL   A 1 77  ? -20.830 5.497   17.220  1.000 22.159 0 189 VAL   A CA   1 ? 
ATOM   1278 C  C    . VAL   A 1 77  ? -19.477 5.726   16.550  1.000 20.484 0 189 VAL   A C    1 ? 
ATOM   1279 O  O    . VAL   A 1 77  ? -19.208 5.187   15.479  1.000 21.399 0 189 VAL   A O    1 ? 
ATOM   1280 C  CB   . VAL   A 1 77  ? -20.954 4.059   17.757  1.000 25.302 0 189 VAL   A CB   1 ? 
ATOM   1281 C  CG1  . VAL   A 1 77  ? -19.827 3.717   18.728  1.000 26.409 0 189 VAL   A CG1  1 ? 
ATOM   1282 C  CG2  . VAL   A 1 77  ? -22.305 3.823   18.414  1.000 27.905 0 189 VAL   A CG2  1 ? 
ATOM   1283 H  H    . VAL   A 1 77  ? -22.446 5.240   15.968  1.000 22.547 0 189 VAL   A H    1 c 
ATOM   1284 H  HA   . VAL   A 1 77  ? -20.902 6.107   17.979  1.000 22.247 0 189 VAL   A HA   1 c 
ATOM   1285 H  HB   . VAL   A 1 77  ? -20.880 3.452   16.986  1.000 25.248 0 189 VAL   A HB   1 c 
ATOM   1286 H  HG11 . VAL   A 1 77  ? -19.819 4.362   19.456  1.000 26.183 0 189 VAL   A HG11 1 c 
ATOM   1287 H  HG12 . VAL   A 1 77  ? -18.975 3.743   18.264  1.000 26.224 0 189 VAL   A HG12 1 c 
ATOM   1288 H  HG13 . VAL   A 1 77  ? -19.970 2.826   19.090  1.000 26.144 0 189 VAL   A HG13 1 c 
ATOM   1289 H  HG21 . VAL   A 1 77  ? -22.346 2.913   18.753  1.000 27.239 0 189 VAL   A HG21 1 c 
ATOM   1290 H  HG22 . VAL   A 1 77  ? -23.013 3.957   17.762  1.000 27.312 0 189 VAL   A HG22 1 c 
ATOM   1291 H  HG23 . VAL   A 1 77  ? -22.421 4.447   19.150  1.000 27.262 0 189 VAL   A HG23 1 c 
ATOM   1292 N  N    . PHE   A 1 78  ? -18.634 6.534   17.198  1.000 18.851 0 190 PHE   A N    1 ? 
ATOM   1293 C  CA   . PHE   A 1 78  ? -17.472 7.084   16.526  1.000 17.644 0 190 PHE   A CA   1 ? 
ATOM   1294 C  C    . PHE   A 1 78  ? -16.282 7.016   17.475  1.000 18.427 0 190 PHE   A C    1 ? 
ATOM   1295 O  O    . PHE   A 1 78  ? -16.118 7.893   18.315  1.000 20.504 0 190 PHE   A O    1 ? 
ATOM   1296 C  CB   . PHE   A 1 78  ? -17.711 8.521   16.068  1.000 18.189 0 190 PHE   A CB   1 ? 
ATOM   1297 C  CG   . PHE   A 1 78  ? -16.705 9.024   15.048  1.000 17.636 0 190 PHE   A CG   1 ? 
ATOM   1298 C  CD1  . PHE   A 1 78  ? -15.514 9.606   15.463  1.000 17.383 0 190 PHE   A CD1  1 ? 
ATOM   1299 C  CD2  . PHE   A 1 78  ? -16.932 8.894   13.687  1.000 16.604 0 190 PHE   A CD2  1 ? 
ATOM   1300 C  CE1  . PHE   A 1 78  ? -14.620 10.098  14.536  1.000 17.648 0 190 PHE   A CE1  1 ? 
ATOM   1301 C  CE2  . PHE   A 1 78  ? -16.016 9.372   12.763  1.000 17.611 0 190 PHE   A CE2  1 ? 
ATOM   1302 C  CZ   . PHE   A 1 78  ? -14.852 9.949   13.191  1.000 17.568 0 190 PHE   A CZ   1 ? 
ATOM   1303 H  H    . PHE   A 1 78  ? -18.783 6.744   18.075  1.000 18.775 0 190 PHE   A H    1 c 
ATOM   1304 H  HA   . PHE   A 1 78  ? -17.274 6.533   15.726  1.000 18.031 0 190 PHE   A HA   1 c 
ATOM   1305 H  HB2  . PHE   A 1 78  ? -18.612 8.577   15.678  1.000 17.894 0 190 PHE   A HB2  1 c 
ATOM   1306 H  HB3  . PHE   A 1 78  ? -17.690 9.111   16.855  1.000 18.075 0 190 PHE   A HB3  1 c 
ATOM   1307 H  HD1  . PHE   A 1 78  ? -15.344 9.716   16.385  1.000 17.475 0 190 PHE   A HD1  1 c 
ATOM   1308 H  HD2  . PHE   A 1 78  ? -17.733 8.495   13.386  1.000 16.960 0 190 PHE   A HD2  1 c 
ATOM   1309 H  HE1  . PHE   A 1 78  ? -13.813 10.489  14.830  1.000 17.545 0 190 PHE   A HE1  1 c 
ATOM   1310 H  HE2  . PHE   A 1 78  ? -16.184 9.277   11.839  1.000 17.431 0 190 PHE   A HE2  1 c 
ATOM   1311 H  HZ   . PHE   A 1 78  ? -14.226 10.273  12.564  1.000 17.615 0 190 PHE   A HZ   1 c 
ATOM   1312 N  N    . PRO   A 1 79  ? -15.470 5.940   17.415  1.000 19.059 0 191 PRO   A N    1 ? 
ATOM   1313 C  CA   . PRO   A 1 79  ? -14.410 5.726   18.407  1.000 20.547 0 191 PRO   A CA   1 ? 
ATOM   1314 C  C    . PRO   A 1 79  ? -13.068 6.416   18.190  1.000 20.594 0 191 PRO   A C    1 ? 
ATOM   1315 O  O    . PRO   A 1 79  ? -12.161 6.242   19.003  1.000 23.778 0 191 PRO   A O    1 ? 
ATOM   1316 C  CB   . PRO   A 1 79  ? -14.264 4.200   18.328  1.000 21.325 0 191 PRO   A CB   1 ? 
ATOM   1317 C  CG   . PRO   A 1 79  ? -14.505 3.898   16.880  1.000 20.222 0 191 PRO   A CG   1 ? 
ATOM   1318 C  CD   . PRO   A 1 79  ? -15.659 4.799   16.509  1.000 19.453 0 191 PRO   A CD   1 ? 
ATOM   1319 H  HA   . PRO   A 1 79  ? -14.763 5.970   19.300  1.000 20.359 0 191 PRO   A HA   1 c 
ATOM   1320 H  HB2  . PRO   A 1 79  ? -13.361 3.914   18.603  1.000 21.125 0 191 PRO   A HB2  1 c 
ATOM   1321 H  HB3  . PRO   A 1 79  ? -14.932 3.751   18.898  1.000 21.017 0 191 PRO   A HB3  1 c 
ATOM   1322 H  HG2  . PRO   A 1 79  ? -13.714 4.105   16.341  1.000 20.279 0 191 PRO   A HG2  1 c 
ATOM   1323 H  HG3  . PRO   A 1 79  ? -14.742 2.956   16.751  1.000 20.206 0 191 PRO   A HG3  1 c 
ATOM   1324 H  HD2  . PRO   A 1 79  ? -15.602 5.077   15.568  1.000 19.508 0 191 PRO   A HD2  1 c 
ATOM   1325 H  HD3  . PRO   A 1 79  ? -16.521 4.356   16.668  1.000 19.448 0 191 PRO   A HD3  1 c 
ATOM   1326 N  N    . PHE   A 1 80  ? -12.943 7.179   17.101  1.000 18.050 0 192 PHE   A N    1 ? 
ATOM   1327 C  CA   . PHE   A 1 80  ? -11.703 7.845   16.734  1.000 16.947 0 192 PHE   A CA   1 ? 
ATOM   1328 C  C    . PHE   A 1 80  ? -11.671 9.256   17.309  1.000 18.435 0 192 PHE   A C    1 ? 
ATOM   1329 O  O    . PHE   A 1 80  ? -12.703 9.911   17.466  1.000 18.763 0 192 PHE   A O    1 ? 
ATOM   1330 C  CB   . PHE   A 1 80  ? -11.563 7.943   15.216  1.000 16.887 0 192 PHE   A CB   1 ? 
ATOM   1331 C  CG   . PHE   A 1 80  ? -11.578 6.586   14.543  1.000 15.898 0 192 PHE   A CG   1 ? 
ATOM   1332 C  CD1  . PHE   A 1 80  ? -10.419 5.822   14.470  1.000 15.705 0 192 PHE   A CD1  1 ? 
ATOM   1333 C  CD2  . PHE   A 1 80  ? -12.752 6.069   14.007  1.000 16.446 0 192 PHE   A CD2  1 ? 
ATOM   1334 C  CE1  . PHE   A 1 80  ? -10.444 4.581   13.869  1.000 16.332 0 192 PHE   A CE1  1 ? 
ATOM   1335 C  CE2  . PHE   A 1 80  ? -12.763 4.821   13.417  1.000 15.849 0 192 PHE   A CE2  1 ? 
ATOM   1336 C  CZ   . PHE   A 1 80  ? -11.615 4.079   13.356  1.000 15.926 0 192 PHE   A CZ   1 ? 
ATOM   1337 H  H    . PHE   A 1 80  ? -13.667 7.290   16.556  1.000 18.098 0 192 PHE   A H    1 c 
ATOM   1338 H  HA   . PHE   A 1 80  ? -10.937 7.327   17.096  1.000 17.213 0 192 PHE   A HA   1 c 
ATOM   1339 H  HB2  . PHE   A 1 80  ? -12.303 8.486   14.864  1.000 16.743 0 192 PHE   A HB2  1 c 
ATOM   1340 H  HB3  . PHE   A 1 80  ? -10.717 8.398   15.005  1.000 16.653 0 192 PHE   A HB3  1 c 
ATOM   1341 H  HD1  . PHE   A 1 80  ? -9.613  6.156   14.831  1.000 15.872 0 192 PHE   A HD1  1 c 
ATOM   1342 H  HD2  . PHE   A 1 80  ? -13.549 6.571   14.058  1.000 16.106 0 192 PHE   A HD2  1 c 
ATOM   1343 H  HE1  . PHE   A 1 80  ? -9.653  4.067   13.823  1.000 16.248 0 192 PHE   A HE1  1 c 
ATOM   1344 H  HE2  . PHE   A 1 80  ? -13.565 4.480   13.055  1.000 15.767 0 192 PHE   A HE2  1 c 
ATOM   1345 H  HZ   . PHE   A 1 80  ? -11.623 3.233   12.938  1.000 15.980 0 192 PHE   A HZ   1 c 
ATOM   1346 N  N    . GLU   A 1 81  ? -10.455 9.723   17.596  1.000 18.662 0 193 GLU   A N    1 ? 
ATOM   1347 C  CA   . GLU   A 1 81  ? -10.246 11.087  18.036  1.000 18.568 0 193 GLU   A CA   1 ? 
ATOM   1348 C  C    . GLU   A 1 81  ? -9.009  11.627  17.332  1.000 18.082 0 193 GLU   A C    1 ? 
ATOM   1349 O  O    . GLU   A 1 81  ? -7.994  10.931  17.255  1.000 17.619 0 193 GLU   A O    1 ? 
ATOM   1350 C  CB   . GLU   A 1 81  ? -10.076 11.157  19.553  1.000 19.960 0 193 GLU   A CB   1 ? 
ATOM   1351 C  CG   . GLU   A 1 81  ? -11.273 10.684  20.364  1.000 20.943 0 193 GLU   A CG   1 ? 
ATOM   1352 C  CD   . GLU   A 1 81  ? -12.481 11.586  20.254  1.000 22.493 0 193 GLU   A CD   1 ? 
ATOM   1353 O  OE1  . GLU   A 1 81  ? -12.303 12.792  19.968  1.000 23.077 0 193 GLU   A OE1  1 ? 
ATOM   1354 O  OE2  . GLU   A 1 81  ? -13.602 11.070  20.465  1.000 24.373 0 193 GLU   A OE2  1 ? 
ATOM   1355 H  H    . GLU   A 1 81  ? -9.731  9.171   17.515  1.000 18.689 0 193 GLU   A H    1 c 
ATOM   1356 H  HA   . GLU   A 1 81  ? -11.029 11.632  17.769  1.000 18.502 0 193 GLU   A HA   1 c 
ATOM   1357 H  HB2  . GLU   A 1 81  ? -9.304  10.608  19.804  1.000 19.881 0 193 GLU   A HB2  1 c 
ATOM   1358 H  HB3  . GLU   A 1 81  ? -9.872  12.082  19.802  1.000 19.870 0 193 GLU   A HB3  1 c 
ATOM   1359 H  HG2  . GLU   A 1 81  ? -11.527 9.784   20.069  1.000 20.877 0 193 GLU   A HG2  1 c 
ATOM   1360 H  HG3  . GLU   A 1 81  ? -11.015 10.624  21.308  1.000 20.974 0 193 GLU   A HG3  1 c 
ATOM   1361 N  N    . SER   A 1 82  ? -9.089  12.869  16.847  1.000 20.237 0 194 SER   A N    1 ? 
ATOM   1362 C  CA   . SER   A 1 82  ? -7.945  13.550  16.264  1.000 22.034 0 194 SER   A CA   1 ? 
ATOM   1363 C  C    . SER   A 1 82  ? -6.752  13.511  17.216  1.000 20.198 0 194 SER   A C    1 ? 
ATOM   1364 O  O    . SER   A 1 82  ? -6.900  13.816  18.398  1.000 22.416 0 194 SER   A O    1 ? 
ATOM   1365 C  CB   . SER   A 1 82  ? -8.281  14.974  15.903  1.000 25.252 0 194 SER   A CB   1 ? 
ATOM   1366 O  OG   . SER   A 1 82  ? -9.033  14.998  14.703  1.000 31.000 0 194 SER   A OG   1 ? 
ATOM   1367 H  H    . SER   A 1 82  ? -9.890  13.309  16.880  1.000 20.068 0 194 SER   A H    1 c 
ATOM   1368 H  HA   . SER   A 1 82  ? -7.695  13.070  15.434  1.000 21.616 0 194 SER   A HA   1 c 
ATOM   1369 H  HB2  . SER   A 1 82  ? -8.799  15.380  16.624  1.000 25.348 0 194 SER   A HB2  1 c 
ATOM   1370 H  HB3  . SER   A 1 82  ? -7.459  15.486  15.785  1.000 25.142 0 194 SER   A HB3  1 c 
ATOM   1371 H  HG   . SER   A 1 82  ? -9.239  15.843  14.550  0.000 37.626 0 194 SER   A HG   1 c 
ATOM   1372 N  N    . GLY   A 1 83  ? -5.589  13.128  16.675  1.000 18.574 0 195 GLY   A N    1 ? 
ATOM   1373 C  CA   . GLY   A 1 83  ? -4.348  13.132  17.434  1.000 17.974 0 195 GLY   A CA   1 ? 
ATOM   1374 C  C    . GLY   A 1 83  ? -4.057  11.827  18.178  1.000 17.814 0 195 GLY   A C    1 ? 
ATOM   1375 O  O    . GLY   A 1 83  ? -2.943  11.682  18.689  1.000 20.061 0 195 GLY   A O    1 ? 
ATOM   1376 H  H    . GLY   A 1 83  ? -5.568  12.858  15.802  1.000 18.740 0 195 GLY   A H    1 c 
ATOM   1377 H  HA2  . GLY   A 1 83  ? -3.604  13.318  16.814  1.000 17.962 0 195 GLY   A HA2  1 c 
ATOM   1378 H  HA3  . GLY   A 1 83  ? -4.378  13.872  18.085  1.000 18.055 0 195 GLY   A HA3  1 c 
ATOM   1379 N  N    . LYS   A 1 84  ? -5.022  10.889  18.242  1.000 15.814 0 196 LYS   A N    1 ? 
ATOM   1380 C  CA   . LYS   A 1 84  ? -4.904  9.739   19.125  1.000 15.547 0 196 LYS   A CA   1 ? 
ATOM   1381 C  C    . LYS   A 1 84  ? -4.552  8.466   18.355  1.000 15.147 0 196 LYS   A C    1 ? 
ATOM   1382 O  O    . LYS   A 1 84  ? -5.006  8.236   17.233  1.000 16.107 0 196 LYS   A O    1 ? 
ATOM   1383 C  CB   . LYS   A 1 84  ? -6.171  9.454   19.939  1.000 15.838 0 196 LYS   A CB   1 ? 
ATOM   1384 C  CG   . LYS   A 1 84  ? -6.573  10.519  20.931  1.000 16.149 0 196 LYS   A CG   1 ? 
ATOM   1385 C  CD   . LYS   A 1 84  ? -7.486  9.982   22.030  1.000 15.915 0 196 LYS   A CD   1 ? 
ATOM   1386 C  CE   . LYS   A 1 84  ? -8.197  11.076  22.749  1.000 16.775 0 196 LYS   A CE   1 ? 
ATOM   1387 N  NZ   . LYS   A 1 84  ? -8.880  10.646  23.968  1.000 17.429 0 196 LYS   A NZ   1 ? 
ATOM   1388 H  H    . LYS   A 1 84  ? -5.767  10.966  17.718  1.000 16.126 0 196 LYS   A H    1 c 
ATOM   1389 H  HA   . LYS   A 1 84  ? -4.177  9.928   19.768  1.000 15.535 0 196 LYS   A HA   1 c 
ATOM   1390 H  HB2  . LYS   A 1 84  ? -6.915  9.321   19.314  1.000 15.890 0 196 LYS   A HB2  1 c 
ATOM   1391 H  HB3  . LYS   A 1 84  ? -6.044  8.612   20.427  1.000 15.809 0 196 LYS   A HB3  1 c 
ATOM   1392 H  HG2  . LYS   A 1 84  ? -5.763  10.893  21.339  1.000 16.025 0 196 LYS   A HG2  1 c 
ATOM   1393 H  HG3  . LYS   A 1 84  ? -7.035  11.240  20.451  1.000 16.065 0 196 LYS   A HG3  1 c 
ATOM   1394 H  HD2  . LYS   A 1 84  ? -8.148  9.376   21.632  1.000 16.114 0 196 LYS   A HD2  1 c 
ATOM   1395 H  HD3  . LYS   A 1 84  ? -6.949  9.470   22.674  1.000 16.058 0 196 LYS   A HD3  1 c 
ATOM   1396 H  HE2  . LYS   A 1 84  ? -7.561  11.777  22.976  1.000 16.686 0 196 LYS   A HE2  1 c 
ATOM   1397 H  HE3  . LYS   A 1 84  ? -8.857  11.466  22.149  1.000 16.696 0 196 LYS   A HE3  1 c 
ATOM   1398 H  HZ1  . LYS   A 1 84  ? -8.294  10.224  24.514  1.000 17.291 0 196 LYS   A HZ1  1 c 
ATOM   1399 H  HZ2  . LYS   A 1 84  ? -9.551  10.076  23.757  1.000 17.323 0 196 LYS   A HZ2  1 c 
ATOM   1400 H  HZ3  . LYS   A 1 84  ? -9.223  11.366  24.398  1.000 17.236 0 196 LYS   A HZ3  1 c 
ATOM   1401 N  N    . PRO   A 1 85  ? -3.762  7.578   19.000  1.000 15.270 0 197 PRO   A N    1 ? 
ATOM   1402 C  CA   . PRO   A 1 85  ? -3.450  6.256   18.462  1.000 15.469 0 197 PRO   A CA   1 ? 
ATOM   1403 C  C    . PRO   A 1 85  ? -4.701  5.388   18.420  1.000 14.763 0 197 PRO   A C    1 ? 
ATOM   1404 O  O    . PRO   A 1 85  ? -5.486  5.377   19.361  1.000 15.213 0 197 PRO   A O    1 ? 
ATOM   1405 C  CB   . PRO   A 1 85  ? -2.387  5.673   19.414  1.000 16.588 0 197 PRO   A CB   1 ? 
ATOM   1406 C  CG   . PRO   A 1 85  ? -2.525  6.473   20.681  1.000 18.024 0 197 PRO   A CG   1 ? 
ATOM   1407 C  CD   . PRO   A 1 85  ? -3.172  7.796   20.329  1.000 16.285 0 197 PRO   A CD   1 ? 
ATOM   1408 H  HA   . PRO   A 1 85  ? -3.070  6.354   17.557  1.000 15.496 0 197 PRO   A HA   1 c 
ATOM   1409 H  HB2  . PRO   A 1 85  ? -2.553  4.716   19.584  1.000 16.616 0 197 PRO   A HB2  1 c 
ATOM   1410 H  HB3  . PRO   A 1 85  ? -1.483  5.774   19.033  1.000 16.541 0 197 PRO   A HB3  1 c 
ATOM   1411 H  HG2  . PRO   A 1 85  ? -3.076  5.989   21.331  1.000 17.451 0 197 PRO   A HG2  1 c 
ATOM   1412 H  HG3  . PRO   A 1 85  ? -1.644  6.628   21.081  1.000 17.542 0 197 PRO   A HG3  1 c 
ATOM   1413 H  HD2  . PRO   A 1 85  ? -3.863  8.029   20.988  1.000 16.273 0 197 PRO   A HD2  1 c 
ATOM   1414 H  HD3  . PRO   A 1 85  ? -2.503  8.515   20.303  1.000 16.288 0 197 PRO   A HD3  1 c 
ATOM   1415 N  N    . PHE   A 1 86  ? -4.835  4.624   17.342  1.000 14.259 0 198 PHE   A N    1 ? 
ATOM   1416 C  CA   . PHE   A 1 86  ? -5.935  3.707   17.186  1.000 14.075 0 198 PHE   A CA   1 ? 
ATOM   1417 C  C    . PHE   A 1 86  ? -5.458  2.345   16.712  1.000 14.577 0 198 PHE   A C    1 ? 
ATOM   1418 O  O    . PHE   A 1 86  ? -4.370  2.188   16.164  1.000 14.619 0 198 PHE   A O    1 ? 
ATOM   1419 C  CB   . PHE   A 1 86  ? -6.958  4.263   16.196  1.000 15.319 0 198 PHE   A CB   1 ? 
ATOM   1420 C  CG   . PHE   A 1 86  ? -6.426  4.335   14.782  1.000 15.062 0 198 PHE   A CG   1 ? 
ATOM   1421 C  CD1  . PHE   A 1 86  ? -6.456  3.230   13.950  1.000 15.745 0 198 PHE   A CD1  1 ? 
ATOM   1422 C  CD2  . PHE   A 1 86  ? -5.855  5.503   14.308  1.000 17.905 0 198 PHE   A CD2  1 ? 
ATOM   1423 C  CE1  . PHE   A 1 86  ? -5.903  3.287   12.681  1.000 16.962 0 198 PHE   A CE1  1 ? 
ATOM   1424 C  CE2  . PHE   A 1 86  ? -5.326  5.556   13.035  1.000 19.035 0 198 PHE   A CE2  1 ? 
ATOM   1425 C  CZ   . PHE   A 1 86  ? -5.358  4.449   12.222  1.000 17.924 0 198 PHE   A CZ   1 ? 
ATOM   1426 H  H    . PHE   A 1 86  ? -4.211  4.676   16.676  1.000 14.214 0 198 PHE   A H    1 c 
ATOM   1427 H  HA   . PHE   A 1 86  ? -6.379  3.595   18.067  1.000 14.397 0 198 PHE   A HA   1 c 
ATOM   1428 H  HB2  . PHE   A 1 86  ? -7.756  3.690   16.211  1.000 15.160 0 198 PHE   A HB2  1 c 
ATOM   1429 H  HB3  . PHE   A 1 86  ? -7.220  5.165   16.487  1.000 15.032 0 198 PHE   A HB3  1 c 
ATOM   1430 H  HD1  . PHE   A 1 86  ? -6.819  2.419   14.266  1.000 15.834 0 198 PHE   A HD1  1 c 
ATOM   1431 H  HD2  . PHE   A 1 86  ? -5.816  6.263   14.865  1.000 17.362 0 198 PHE   A HD2  1 c 
ATOM   1432 H  HE1  . PHE   A 1 86  ? -5.941  2.530   12.118  1.000 16.852 0 198 PHE   A HE1  1 c 
ATOM   1433 H  HE2  . PHE   A 1 86  ? -4.946  6.360   12.719  1.000 18.468 0 198 PHE   A HE2  1 c 
ATOM   1434 H  HZ   . PHE   A 1 86  ? -5.007  4.495   11.346  1.000 17.846 0 198 PHE   A HZ   1 c 
ATOM   1435 N  N    . LYS   A 1 87  ? -6.356  1.378   16.877  1.000 14.322 0 199 LYS   A N    1 ? 
ATOM   1436 C  CA   . LYS   A 1 87  ? -6.232  0.041   16.317  1.000 14.321 0 199 LYS   A CA   1 ? 
ATOM   1437 C  C    . LYS   A 1 87  ? -7.579  -0.303  15.695  1.000 14.345 0 199 LYS   A C    1 ? 
ATOM   1438 O  O    . LYS   A 1 87  ? -8.603  -0.302  16.386  1.000 16.218 0 199 LYS   A O    1 ? 
ATOM   1439 C  CB   . LYS   A 1 87  ? -5.859  -0.988  17.382  1.000 15.046 0 199 LYS   A CB   1 ? 
ATOM   1440 C  CG   . LYS   A 1 87  ? -5.806  -2.444  16.905  1.000 16.075 0 199 LYS   A CG   1 ? 
ATOM   1441 C  CD   . LYS   A 1 87  ? -5.274  -3.391  17.963  1.000 18.403 0 199 LYS   A CD   1 ? 
ATOM   1442 C  CE   . LYS   A 1 87  ? -6.227  -3.620  19.088  1.000 20.387 0 199 LYS   A CE   1 ? 
ATOM   1443 N  NZ   . LYS   A 1 87  ? -5.598  -4.432  20.135  1.000 23.076 0 199 LYS   A NZ   1 ? 
ATOM   1444 H  H    . LYS   A 1 87  ? -7.100  1.563   17.374  1.000 14.364 0 199 LYS   A H    1 c 
ATOM   1445 H  HA   . LYS   A 1 87  ? -5.538  0.054   15.615  1.000 14.457 0 199 LYS   A HA   1 c 
ATOM   1446 H  HB2  . LYS   A 1 87  ? -4.980  -0.753  17.748  1.000 15.003 0 199 LYS   A HB2  1 c 
ATOM   1447 H  HB3  . LYS   A 1 87  ? -6.510  -0.927  18.113  1.000 15.064 0 199 LYS   A HB3  1 c 
ATOM   1448 H  HG2  . LYS   A 1 87  ? -6.710  -2.725  16.648  1.000 16.286 0 199 LYS   A HG2  1 c 
ATOM   1449 H  HG3  . LYS   A 1 87  ? -5.233  -2.494  16.109  1.000 16.187 0 199 LYS   A HG3  1 c 
ATOM   1450 H  HD2  . LYS   A 1 87  ? -5.066  -4.253  17.541  1.000 18.174 0 199 LYS   A HD2  1 c 
ATOM   1451 H  HD3  . LYS   A 1 87  ? -4.437  -3.025  18.324  1.000 18.167 0 199 LYS   A HD3  1 c 
ATOM   1452 H  HE2  . LYS   A 1 87  ? -6.506  -2.770  19.470  1.000 20.276 0 199 LYS   A HE2  1 c 
ATOM   1453 H  HE3  . LYS   A 1 87  ? -7.019  -4.081  18.759  1.000 20.386 0 199 LYS   A HE3  1 c 
ATOM   1454 H  HZ1  . LYS   A 1 87  ? -4.870  -4.002  20.460  1.000 22.408 0 199 LYS   A HZ1  1 c 
ATOM   1455 H  HZ2  . LYS   A 1 87  ? -5.342  -5.230  19.790  1.000 22.388 0 199 LYS   A HZ2  1 c 
ATOM   1456 H  HZ3  . LYS   A 1 87  ? -6.183  -4.576  20.809  1.000 22.393 0 199 LYS   A HZ3  1 c 
ATOM   1457 N  N    . ILE   A 1 88  ? -7.588  -0.549  14.378  1.000 13.233 0 200 ILE   A N    1 ? 
ATOM   1458 C  CA   . ILE   A 1 88  ? -8.771  -1.065  13.695  1.000 13.210 0 200 ILE   A CA   1 ? 
ATOM   1459 C  C    . ILE   A 1 88  ? -8.503  -2.535  13.430  1.000 13.508 0 200 ILE   A C    1 ? 
ATOM   1460 O  O    . ILE   A 1 88  ? -7.459  -2.875  12.870  1.000 13.989 0 200 ILE   A O    1 ? 
ATOM   1461 C  CB   . ILE   A 1 88  ? -9.023  -0.341  12.364  1.000 14.080 0 200 ILE   A CB   1 ? 
ATOM   1462 C  CG1  . ILE   A 1 88  ? -9.199  1.169   12.575  1.000 14.436 0 200 ILE   A CG1  1 ? 
ATOM   1463 C  CG2  . ILE   A 1 88  ? -10.224 -0.971  11.653  1.000 14.866 0 200 ILE   A CG2  1 ? 
ATOM   1464 C  CD1  . ILE   A 1 88  ? -9.173  1.986   11.292  1.000 14.974 0 200 ILE   A CD1  1 ? 
ATOM   1465 H  H    . ILE   A 1 88  ? -6.833  -0.389  13.887  1.000 13.211 0 200 ILE   A H    1 c 
ATOM   1466 H  HA   . ILE   A 1 88  ? -9.554  -0.968  14.271  1.000 13.451 0 200 ILE   A HA   1 c 
ATOM   1467 H  HB   . ILE   A 1 88  ? -8.236  -0.473  11.799  1.000 14.062 0 200 ILE   A HB   1 c 
ATOM   1468 H  HG12 . ILE   A 1 88  ? -10.052 1.325   13.028  1.000 14.427 0 200 ILE   A HG12 1 c 
ATOM   1469 H  HG13 . ILE   A 1 88  ? -8.487  1.489   13.164  1.000 14.528 0 200 ILE   A HG13 1 c 
ATOM   1470 H  HG21 . ILE   A 1 88  ? -10.401 -0.493  10.826  1.000 14.714 0 200 ILE   A HG21 1 c 
ATOM   1471 H  HG22 . ILE   A 1 88  ? -11.006 -0.920  12.228  1.000 14.761 0 200 ILE   A HG22 1 c 
ATOM   1472 H  HG23 . ILE   A 1 88  ? -10.033 -1.902  11.450  1.000 14.694 0 200 ILE   A HG23 1 c 
ATOM   1473 H  HD11 . ILE   A 1 88  ? -8.327  1.838   10.829  1.000 14.930 0 200 ILE   A HD11 1 c 
ATOM   1474 H  HD12 . ILE   A 1 88  ? -9.261  2.934   11.509  1.000 14.840 0 200 ILE   A HD12 1 c 
ATOM   1475 H  HD13 . ILE   A 1 88  ? -9.911  1.719   10.713  1.000 14.857 0 200 ILE   A HD13 1 c 
ATOM   1476 N  N    . GLN   A 1 89  ? -9.409  -3.394  13.869  1.000 14.780 0 201 GLN   A N    1 ? 
ATOM   1477 C  CA   . GLN   A 1 89  ? -9.345  -4.799  13.541  1.000 14.781 0 201 GLN   A CA   1 ? 
ATOM   1478 C  C    . GLN   A 1 89  ? -10.562 -5.173  12.716  1.000 14.455 0 201 GLN   A C    1 ? 
ATOM   1479 O  O    . GLN   A 1 89  ? -11.692 -4.842  13.085  1.000 15.251 0 201 GLN   A O    1 ? 
ATOM   1480 C  CB   . GLN   A 1 89  ? -9.277  -5.617  14.814  1.000 16.215 0 201 GLN   A CB   1 ? 
ATOM   1481 C  CG   . GLN   A 1 89  ? -7.893  -5.488  15.427  1.000 18.306 0 201 GLN   A CG   1 ? 
ATOM   1482 C  CD   . GLN   A 1 89  ? -7.786  -6.179  16.753  1.000 21.656 0 201 GLN   A CD   1 ? 
ATOM   1483 O  OE1  . GLN   A 1 89  ? -8.597  -5.939  17.644  1.000 23.894 0 201 GLN   A OE1  1 ? 
ATOM   1484 N  NE2  . GLN   A 1 89  ? -6.780  -7.024  16.887  1.000 24.436 0 201 GLN   A NE2  1 ? 
ATOM   1485 H  H    . GLN   A 1 89  ? -10.096 -3.097  14.393  1.000 14.552 0 201 GLN   A H    1 c 
ATOM   1486 H  HA   . GLN   A 1 89  ? -8.529  -4.963  13.011  1.000 14.939 0 201 GLN   A HA   1 c 
ATOM   1487 H  HB2  . GLN   A 1 89  ? -9.951  -5.296  15.449  1.000 16.196 0 201 GLN   A HB2  1 c 
ATOM   1488 H  HB3  . GLN   A 1 89  ? -9.464  -6.557  14.614  1.000 16.223 0 201 GLN   A HB3  1 c 
ATOM   1489 H  HG2  . GLN   A 1 89  ? -7.232  -5.868  14.811  1.000 18.377 0 201 GLN   A HG2  1 c 
ATOM   1490 H  HG3  . GLN   A 1 89  ? -7.679  -4.539  15.547  1.000 18.339 0 201 GLN   A HG3  1 c 
ATOM   1491 H  HE21 . GLN   A 1 89  ? -6.192  -7.134  16.231  1.000 23.559 0 201 GLN   A HE21 1 c 
ATOM   1492 H  HE22 . GLN   A 1 89  ? -6.691  -7.484  17.640  1.000 23.593 0 201 GLN   A HE22 1 c 
ATOM   1493 N  N    . VAL   A 1 90  ? -10.308 -5.777  11.561  1.000 13.786 0 202 VAL   A N    1 ? 
ATOM   1494 C  CA   . VAL   A 1 90  ? -11.344 -6.295  10.695  1.000 13.742 0 202 VAL   A CA   1 ? 
ATOM   1495 C  C    . VAL   A 1 90  ? -11.223 -7.811  10.705  1.000 14.701 0 202 VAL   A C    1 ? 
ATOM   1496 O  O    . VAL   A 1 90  ? -10.214 -8.366  10.278  1.000 15.546 0 202 VAL   A O    1 ? 
ATOM   1497 C  CB   . VAL   A 1 90  ? -11.240 -5.765  9.263   1.000 14.857 0 202 VAL   A CB   1 ? 
ATOM   1498 C  CG1  . VAL   A 1 90  ? -12.417 -6.277  8.448   1.000 16.264 0 202 VAL   A CG1  1 ? 
ATOM   1499 C  CG2  . VAL   A 1 90  ? -11.132 -4.245  9.224   1.000 15.413 0 202 VAL   A CG2  1 ? 
ATOM   1500 H  H    . VAL   A 1 90  ? -9.438  -5.871  11.295  1.000 13.779 0 202 VAL   A H    1 c 
ATOM   1501 H  HA   . VAL   A 1 90  ? -12.212 -6.043  11.058  1.000 14.010 0 202 VAL   A HA   1 c 
ATOM   1502 H  HB   . VAL   A 1 90  ? -10.415 -6.136  8.871   1.000 14.843 0 202 VAL   A HB   1 c 
ATOM   1503 H  HG11 . VAL   A 1 90  ? -13.248 -6.020  8.882   1.000 16.064 0 202 VAL   A HG11 1 c 
ATOM   1504 H  HG12 . VAL   A 1 90  ? -12.373 -7.246  8.382   1.000 15.961 0 202 VAL   A HG12 1 c 
ATOM   1505 H  HG13 . VAL   A 1 90  ? -12.386 -5.892  7.556   1.000 15.927 0 202 VAL   A HG13 1 c 
ATOM   1506 H  HG21 . VAL   A 1 90  ? -11.088 -3.946  8.301   1.000 15.212 0 202 VAL   A HG21 1 c 
ATOM   1507 H  HG22 . VAL   A 1 90  ? -10.330 -3.962  9.694   1.000 15.382 0 202 VAL   A HG22 1 c 
ATOM   1508 H  HG23 . VAL   A 1 90  ? -11.912 -3.853  9.653   1.000 15.300 0 202 VAL   A HG23 1 c 
ATOM   1509 N  N    . LEU   A 1 91  ? -12.241 -8.454  11.272  1.000 15.132 0 203 LEU   A N    1 ? 
ATOM   1510 C  CA   . LEU   A 1 91  ? -12.341 -9.894  11.332  1.000 16.221 0 203 LEU   A CA   1 ? 
ATOM   1511 C  C    . LEU   A 1 91  ? -13.243 -10.345 10.203  1.000 15.586 0 203 LEU   A C    1 ? 
ATOM   1512 O  O    . LEU   A 1 91  ? -14.408 -9.966  10.160  1.000 15.907 0 203 LEU   A O    1 ? 
ATOM   1513 C  CB   . LEU   A 1 91  ? -12.894 -10.355 12.675  1.000 18.206 0 203 LEU   A CB   1 ? 
ATOM   1514 C  CG   . LEU   A 1 91  ? -13.031 -11.872 12.828  1.000 21.619 0 203 LEU   A CG   1 ? 
ATOM   1515 C  CD1  . LEU   A 1 91  ? -11.709 -12.607 12.658  1.000 22.316 0 203 LEU   A CD1  1 ? 
ATOM   1516 C  CD2  . LEU   A 1 91  ? -13.681 -12.186 14.170  1.000 25.290 0 203 LEU   A CD2  1 ? 
ATOM   1517 H  H    . LEU   A 1 91  ? -12.914 -7.961  11.647  1.000 15.122 0 203 LEU   A H    1 c 
ATOM   1518 H  HA   . LEU   A 1 91  ? -11.438 -10.278 11.201  1.000 16.143 0 203 LEU   A HA   1 c 
ATOM   1519 H  HB2  . LEU   A 1 91  ? -12.299 -10.022 13.385  1.000 18.141 0 203 LEU   A HB2  1 c 
ATOM   1520 H  HB3  . LEU   A 1 91  ? -13.781 -9.946  12.801  1.000 18.156 0 203 LEU   A HB3  1 c 
ATOM   1521 H  HG   . LEU   A 1 91  ? -13.646 -12.195 12.120  1.000 21.415 0 203 LEU   A HG   1 c 
ATOM   1522 H  HD11 . LEU   A 1 91  ? -11.383 -12.487 11.751  1.000 22.014 0 203 LEU   A HD11 1 c 
ATOM   1523 H  HD12 . LEU   A 1 91  ? -11.840 -13.555 12.830  1.000 22.076 0 203 LEU   A HD12 1 c 
ATOM   1524 H  HD13 . LEU   A 1 91  ? -11.057 -12.253 13.286  1.000 22.148 0 203 LEU   A HD13 1 c 
ATOM   1525 H  HD21 . LEU   A 1 91  ? -14.536 -11.729 14.233  1.000 24.522 0 203 LEU   A HD21 1 c 
ATOM   1526 H  HD22 . LEU   A 1 91  ? -13.101 -11.886 14.890  1.000 24.383 0 203 LEU   A HD22 1 c 
ATOM   1527 H  HD23 . LEU   A 1 91  ? -13.819 -13.142 14.244  1.000 24.366 0 203 LEU   A HD23 1 c 
ATOM   1528 N  N    . VAL   A 1 92  ? -12.719 -11.186 9.327   1.000 15.020 0 204 VAL   A N    1 ? 
ATOM   1529 C  CA   . VAL   A 1 92  ? -13.512 -11.744 8.253   1.000 15.994 0 204 VAL   A CA   1 ? 
ATOM   1530 C  C    . VAL   A 1 92  ? -14.295 -12.932 8.808   1.000 16.924 0 204 VAL   A C    1 ? 
ATOM   1531 O  O    . VAL   A 1 92  ? -13.710 -13.875 9.330   1.000 17.459 0 204 VAL   A O    1 ? 
ATOM   1532 C  CB   . VAL   A 1 92  ? -12.625 -12.162 7.071   1.000 16.717 0 204 VAL   A CB   1 ? 
ATOM   1533 C  CG1  . VAL   A 1 92  ? -13.463 -12.629 5.890   1.000 16.951 0 204 VAL   A CG1  1 ? 
ATOM   1534 C  CG2  . VAL   A 1 92  ? -11.694 -11.028 6.642   1.000 16.968 0 204 VAL   A CG2  1 ? 
ATOM   1535 H  H    . VAL   A 1 92  ? -11.842 -11.433 9.406   1.000 15.149 0 204 VAL   A H    1 c 
ATOM   1536 H  HA   . VAL   A 1 92  ? -14.142 -11.065 7.943   1.000 16.079 0 204 VAL   A HA   1 c 
ATOM   1537 H  HB   . VAL   A 1 92  ? -12.070 -12.918 7.374   1.000 16.639 0 204 VAL   A HB   1 c 
ATOM   1538 H  HG11 . VAL   A 1 92  ? -14.063 -11.915 5.616   1.000 16.899 0 204 VAL   A HG11 1 c 
ATOM   1539 H  HG12 . VAL   A 1 92  ? -13.984 -13.408 6.146   1.000 16.921 0 204 VAL   A HG12 1 c 
ATOM   1540 H  HG13 . VAL   A 1 92  ? -12.878 -12.862 5.149   1.000 16.945 0 204 VAL   A HG13 1 c 
ATOM   1541 H  HG21 . VAL   A 1 92  ? -11.156 -11.319 5.888   1.000 16.864 0 204 VAL   A HG21 1 c 
ATOM   1542 H  HG22 . VAL   A 1 92  ? -11.109 -10.787 7.379   1.000 16.904 0 204 VAL   A HG22 1 c 
ATOM   1543 H  HG23 . VAL   A 1 92  ? -12.222 -10.255 6.382   1.000 16.950 0 204 VAL   A HG23 1 c 
ATOM   1544 N  N    . GLU   A 1 93  ? -15.622 -12.845 8.710   1.000 16.193 0 205 GLU   A N    1 ? 
ATOM   1545 C  CA   . GLU   A 1 93  ? -16.511 -13.918 9.120   1.000 17.340 0 205 GLU   A CA   1 ? 
ATOM   1546 C  C    . GLU   A 1 93  ? -17.211 -14.463 7.874   1.000 16.915 0 205 GLU   A C    1 ? 
ATOM   1547 O  O    . GLU   A 1 93  ? -17.122 -13.876 6.796   1.000 16.327 0 205 GLU   A O    1 ? 
ATOM   1548 C  CB   . GLU   A 1 93  ? -17.472 -13.422 10.206  1.000 18.659 0 205 GLU   A CB   1 ? 
ATOM   1549 C  CG   . GLU   A 1 93  ? -16.756 -12.952 11.467  1.000 21.984 0 205 GLU   A CG   1 ? 
ATOM   1550 C  CD   . GLU   A 1 93  ? -17.601 -12.681 12.699  1.000 27.708 0 205 GLU   A CD   1 ? 
ATOM   1551 O  OE1  . GLU   A 1 93  ? -18.844 -12.789 12.626  1.000 32.434 0 205 GLU   A OE1  1 ? 
ATOM   1552 O  OE2  . GLU   A 1 93  ? -17.003 -12.392 13.764  1.000 35.557 0 205 GLU   A OE2  1 ? 
ATOM   1553 H  H    . GLU   A 1 93  ? -15.992 -12.081 8.371   1.000 16.437 0 205 GLU   A H    1 c 
ATOM   1554 H  HA   . GLU   A 1 93  ? -15.961 -14.643 9.508   1.000 17.246 0 205 GLU   A HA   1 c 
ATOM   1555 H  HB2  . GLU   A 1 93  ? -18.005 -12.683 9.845   1.000 18.856 0 205 GLU   A HB2  1 c 
ATOM   1556 H  HB3  . GLU   A 1 93  ? -18.087 -14.146 10.442  1.000 18.804 0 205 GLU   A HB3  1 c 
ATOM   1557 H  HG2  . GLU   A 1 93  ? -16.082 -13.623 11.707  1.000 21.862 0 205 GLU   A HG2  1 c 
ATOM   1558 H  HG3  . GLU   A 1 93  ? -16.267 -12.129 11.253  1.000 21.872 0 205 GLU   A HG3  1 c 
ATOM   1559 N  N    . PRO   A 1 94  ? -17.906 -15.621 7.961   1.000 17.221 0 206 PRO   A N    1 ? 
ATOM   1560 C  CA   . PRO   A 1 94  ? -18.515 -16.201 6.767   1.000 17.668 0 206 PRO   A CA   1 ? 
ATOM   1561 C  C    . PRO   A 1 94  ? -19.477 -15.291 6.013   1.000 16.274 0 206 PRO   A C    1 ? 
ATOM   1562 O  O    . PRO   A 1 94  ? -19.529 -15.335 4.782   1.000 17.725 0 206 PRO   A O    1 ? 
ATOM   1563 C  CB   . PRO   A 1 94  ? -19.203 -17.444 7.344   1.000 18.566 0 206 PRO   A CB   1 ? 
ATOM   1564 C  CG   . PRO   A 1 94  ? -18.295 -17.842 8.491   1.000 19.090 0 206 PRO   A CG   1 ? 
ATOM   1565 C  CD   . PRO   A 1 94  ? -18.016 -16.500 9.140   1.000 18.097 0 206 PRO   A CD   1 ? 
ATOM   1566 H  HA   . PRO   A 1 94  ? -17.791 -16.487 6.156   1.000 17.472 0 206 PRO   A HA   1 c 
ATOM   1567 H  HB2  . PRO   A 1 94  ? -20.109 -17.229 7.668   1.000 18.519 0 206 PRO   A HB2  1 c 
ATOM   1568 H  HB3  . PRO   A 1 94  ? -19.259 -18.162 6.671   1.000 18.388 0 206 PRO   A HB3  1 c 
ATOM   1569 H  HG2  . PRO   A 1 94  ? -18.747 -18.451 9.111   1.000 18.737 0 206 PRO   A HG2  1 c 
ATOM   1570 H  HG3  . PRO   A 1 94  ? -17.469 -18.259 8.166   1.000 18.814 0 206 PRO   A HG3  1 c 
ATOM   1571 H  HD2  . PRO   A 1 94  ? -18.758 -16.227 9.724   1.000 18.032 0 206 PRO   A HD2  1 c 
ATOM   1572 H  HD3  . PRO   A 1 94  ? -17.180 -16.522 9.655   1.000 18.006 0 206 PRO   A HD3  1 c 
ATOM   1573 N  N    . ASP   A 1 95  ? -20.276 -14.499 6.751   1.000 16.249 0 207 ASP   A N    1 ? 
ATOM   1574 C  CA   . ASP   A 1 95  ? -21.274 -13.655 6.125   1.000 16.943 0 207 ASP   A CA   1 ? 
ATOM   1575 C  C    . ASP   A 1 95  ? -21.060 -12.152 6.293   1.000 16.849 0 207 ASP   A C    1 ? 
ATOM   1576 O  O    . ASP   A 1 95  ? -21.821 -11.380 5.715   1.000 16.034 0 207 ASP   A O    1 ? 
ATOM   1577 C  CB   . ASP   A 1 95  ? -22.631 -13.973 6.705   1.000 16.868 0 207 ASP   A CB   1 ? 
ATOM   1578 C  CG   . ASP   A 1 95  ? -23.230 -15.293 6.275   1.000 18.171 0 207 ASP   A CG   1 ? 
ATOM   1579 O  OD1  . ASP   A 1 95  ? -22.863 -15.774 5.179   1.000 18.927 0 207 ASP   A OD1  1 ? 
ATOM   1580 O  OD2  . ASP   A 1 95  ? -24.072 -15.790 7.041   1.000 19.918 0 207 ASP   A OD2  1 ? 
ATOM   1581 H  H    . ASP   A 1 95  ? -20.201 -14.497 7.662   1.000 16.347 0 207 ASP   A H    1 c 
ATOM   1582 H  HA   . ASP   A 1 95  ? -21.296 -13.853 5.167   1.000 16.878 0 207 ASP   A HA   1 c 
ATOM   1583 H  HB2  . ASP   A 1 95  ? -22.553 -13.979 7.682   1.000 17.219 0 207 ASP   A HB2  1 c 
ATOM   1584 H  HB3  . ASP   A 1 95  ? -23.266 -13.268 6.461   1.000 17.049 0 207 ASP   A HB3  1 c 
ATOM   1585 N  N    . HIS   A 1 96  ? -20.039 -11.729 7.043   1.000 16.825 0 208 HIS   A N    1 ? 
ATOM   1586 C  CA   . HIS   A 1 96  ? -19.815 -10.302 7.221   1.000 15.331 0 208 HIS   A CA   1 ? 
ATOM   1587 C  C    . HIS   A 1 96  ? -18.356 -10.024 7.554   1.000 15.059 0 208 HIS   A C    1 ? 
ATOM   1588 O  O    . HIS   A 1 96  ? -17.622 -10.920 7.944   1.000 15.551 0 208 HIS   A O    1 ? 
ATOM   1589 C  CB   . HIS   A 1 96  ? -20.758 -9.694  8.269   1.000 17.202 0 208 HIS   A CB   1 ? 
ATOM   1590 C  CG   . HIS   A 1 96  ? -20.668 -10.339 9.598   1.000 20.015 0 208 HIS   A CG   1 ? 
ATOM   1591 N  ND1  . HIS   A 1 96  ? -21.610 -11.239 10.041  1.000 23.023 0 208 HIS   A ND1  1 ? 
ATOM   1592 C  CD2  . HIS   A 1 96  ? -19.771 -10.214 10.592  1.000 21.507 0 208 HIS   A CD2  1 ? 
ATOM   1593 C  CE1  . HIS   A 1 96  ? -21.274 -11.646 11.257  1.000 22.437 0 208 HIS   A CE1  1 ? 
ATOM   1594 N  NE2  . HIS   A 1 96  ? -20.168 -11.027 11.614  1.000 22.493 0 208 HIS   A NE2  1 ? 
ATOM   1595 H  H    . HIS   A 1 96  ? -19.477 -12.325 7.447   1.000 16.466 0 208 HIS   A H    1 c 
ATOM   1596 H  HA   . HIS   A 1 96  ? -20.012 -9.868  6.355   1.000 15.813 0 208 HIS   A HA   1 c 
ATOM   1597 H  HB2  . HIS   A 1 96  ? -20.549 -8.740  8.365   1.000 17.144 0 208 HIS   A HB2  1 c 
ATOM   1598 H  HB3  . HIS   A 1 96  ? -21.679 -9.769  7.943   1.000 17.256 0 208 HIS   A HB3  1 c 
ATOM   1599 H  HD1  . HIS   A 1 96  ? -22.330 -11.489 9.564   0.000 26.206 0 208 HIS   A HD1  1 c 
ATOM   1600 H  HD2  . HIS   A 1 96  ? -19.011 -9.666  10.594  1.000 21.110 0 208 HIS   A HD2  1 c 
ATOM   1601 H  HE1  . HIS   A 1 96  ? -21.756 -12.263 11.781  1.000 22.398 0 208 HIS   A HE1  1 c 
ATOM   1602 H  HE2  . HIS   A 1 96  ? -19.781 -11.133 12.386  0.000 22.726 0 208 HIS   A HE2  1 c 
ATOM   1603 N  N    . PHE   A 1 97  ? -17.996 -8.752  7.407   1.000 14.616 0 209 PHE   A N    1 ? 
ATOM   1604 C  CA   . PHE   A 1 97  ? -16.817 -8.199  8.056   1.000 14.448 0 209 PHE   A CA   1 ? 
ATOM   1605 C  C    . PHE   A 1 97  ? -17.249 -7.654  9.410   1.000 15.133 0 209 PHE   A C    1 ? 
ATOM   1606 O  O    . PHE   A 1 97  ? -18.242 -6.942  9.474   1.000 16.678 0 209 PHE   A O    1 ? 
ATOM   1607 C  CB   . PHE   A 1 97  ? -16.231 -7.035  7.259   1.000 14.428 0 209 PHE   A CB   1 ? 
ATOM   1608 C  CG   . PHE   A 1 97  ? -15.695 -7.407  5.889   1.000 14.694 0 209 PHE   A CG   1 ? 
ATOM   1609 C  CD1  . PHE   A 1 97  ? -14.404 -7.917  5.733   1.000 15.292 0 209 PHE   A CD1  1 ? 
ATOM   1610 C  CD2  . PHE   A 1 97  ? -16.472 -7.207  4.756   1.000 16.228 0 209 PHE   A CD2  1 ? 
ATOM   1611 C  CE1  . PHE   A 1 97  ? -13.931 -8.230  4.472   1.000 16.989 0 209 PHE   A CE1  1 ? 
ATOM   1612 C  CE2  . PHE   A 1 97  ? -15.985 -7.527  3.501   1.000 17.096 0 209 PHE   A CE2  1 ? 
ATOM   1613 C  CZ   . PHE   A 1 97  ? -14.723 -8.037  3.363   1.000 16.156 0 209 PHE   A CZ   1 ? 
ATOM   1614 H  H    . PHE   A 1 97  ? -18.503 -8.204  6.880   1.000 14.674 0 209 PHE   A H    1 c 
ATOM   1615 H  HA   . PHE   A 1 97  ? -16.130 -8.907  8.175   1.000 14.506 0 209 PHE   A HA   1 c 
ATOM   1616 H  HB2  . PHE   A 1 97  ? -16.930 -6.352  7.150   1.000 14.501 0 209 PHE   A HB2  1 c 
ATOM   1617 H  HB3  . PHE   A 1 97  ? -15.503 -6.635  7.784   1.000 14.391 0 209 PHE   A HB3  1 c 
ATOM   1618 H  HD1  . PHE   A 1 97  ? -13.857 -8.053  6.490   1.000 15.387 0 209 PHE   A HD1  1 c 
ATOM   1619 H  HD2  . PHE   A 1 97  ? -17.343 -6.856  4.845   1.000 16.159 0 209 PHE   A HD2  1 c 
ATOM   1620 H  HE1  . PHE   A 1 97  ? -13.061 -8.584  4.373   1.000 16.385 0 209 PHE   A HE1  1 c 
ATOM   1621 H  HE2  . PHE   A 1 97  ? -16.526 -7.394  2.740   1.000 16.689 0 209 PHE   A HE2  1 c 
ATOM   1622 H  HZ   . PHE   A 1 97  ? -14.394 -8.255  2.505   1.000 16.326 0 209 PHE   A HZ   1 c 
ATOM   1623 N  N    . LYS   A 1 98  ? -16.525 -8.002  10.472  1.000 14.928 0 210 LYS   A N    1 ? 
ATOM   1624 C  CA   . LYS   A 1 98  ? -16.731 -7.433  11.790  1.000 15.776 0 210 LYS   A CA   1 ? 
ATOM   1625 C  C    . LYS   A 1 98  ? -15.590 -6.466  12.076  1.000 15.119 0 210 LYS   A C    1 ? 
ATOM   1626 O  O    . LYS   A 1 98  ? -14.420 -6.800  11.876  1.000 16.887 0 210 LYS   A O    1 ? 
ATOM   1627 C  CB   . LYS   A 1 98  ? -16.780 -8.562  12.821  1.000 18.312 0 210 LYS   A CB   1 ? 
ATOM   1628 C  CG   . LYS   A 1 98  ? -16.975 -8.140  14.270  1.000 20.472 0 210 LYS   A CG   1 ? 
ATOM   1629 C  CD   . LYS   A 1 98  ? -16.331 -9.100  15.267  1.000 25.748 0 210 LYS   A CD   1 ? 
ATOM   1630 H  H    . LYS   A 1 98  ? -15.868 -8.629  10.370  1.000 15.035 0 210 LYS   A H    1 c 
ATOM   1631 H  HA   . LYS   A 1 98  ? -17.590 -6.940  11.798  1.000 15.787 0 210 LYS   A HA   1 c 
ATOM   1632 H  HB2  . LYS   A 1 98  ? -17.512 -9.168  12.579  1.000 18.051 0 210 LYS   A HB2  1 c 
ATOM   1633 H  HB3  . LYS   A 1 98  ? -15.945 -9.071  12.760  1.000 18.123 0 210 LYS   A HB3  1 c 
ATOM   1634 H  HG2  . LYS   A 1 98  ? -16.591 -7.245  14.394  1.000 20.495 0 210 LYS   A HG2  1 c 
ATOM   1635 H  HG3  . LYS   A 1 98  ? -17.938 -8.084  14.454  1.000 20.624 0 210 LYS   A HG3  1 c 
ATOM   1636 H  HD2  . LYS   A 1 98  ? -16.803 -9.961  15.233  1.000 24.230 0 210 LYS   A HD2  1 c 
ATOM   1637 H  HD3  . LYS   A 1 98  ? -15.461 -9.297  15.115  0.000 32.954 0 210 LYS   A HD3  1 c 
ATOM   1638 N  N    . VAL   A 1 99  ? -15.924 -5.251  12.504  1.000 13.627 0 211 VAL   A N    1 ? 
ATOM   1639 C  CA   . VAL   A 1 99  ? -14.922 -4.242  12.820  1.000 13.425 0 211 VAL   A CA   1 ? 
ATOM   1640 C  C    . VAL   A 1 99  ? -14.948 -3.939  14.310  1.000 13.457 0 211 VAL   A C    1 ? 
ATOM   1641 O  O    . VAL   A 1 99  ? -16.003 -3.688  14.876  1.000 14.568 0 211 VAL   A O    1 ? 
ATOM   1642 C  CB   . VAL   A 1 99  ? -15.153 -2.947  12.017  1.000 14.120 0 211 VAL   A CB   1 ? 
ATOM   1643 C  CG1  . VAL   A 1 99  ? -14.094 -1.888  12.327  1.000 14.819 0 211 VAL   A CG1  1 ? 
ATOM   1644 C  CG2  . VAL   A 1 99  ? -15.190 -3.263  10.531  1.000 15.522 0 211 VAL   A CG2  1 ? 
ATOM   1645 H  H    . VAL   A 1 99  ? -16.807 -5.038  12.605  1.000 13.743 0 211 VAL   A H    1 c 
ATOM   1646 H  HA   . VAL   A 1 99  ? -14.045 -4.594  12.588  1.000 13.565 0 211 VAL   A HA   1 c 
ATOM   1647 H  HB   . VAL   A 1 99  ? -16.034 -2.591  12.280  1.000 14.163 0 211 VAL   A HB   1 c 
ATOM   1648 H  HG11 . VAL   A 1 99  ? -13.210 -2.250  12.147  1.000 14.764 0 211 VAL   A HG11 1 c 
ATOM   1649 H  HG12 . VAL   A 1 99  ? -14.153 -1.629  13.261  1.000 14.647 0 211 VAL   A HG12 1 c 
ATOM   1650 H  HG13 . VAL   A 1 99  ? -14.243 -1.108  11.767  1.000 14.632 0 211 VAL   A HG13 1 c 
ATOM   1651 H  HG21 . VAL   A 1 99  ? -15.311 -2.440  10.028  1.000 15.191 0 211 VAL   A HG21 1 c 
ATOM   1652 H  HG22 . VAL   A 1 99  ? -15.928 -3.866  10.343  1.000 15.218 0 211 VAL   A HG22 1 c 
ATOM   1653 H  HG23 . VAL   A 1 99  ? -14.354 -3.682  10.267  1.000 15.290 0 211 VAL   A HG23 1 c 
ATOM   1654 N  N    . ALA   A 1 100 ? -13.771 -3.948  14.927  1.000 14.203 0 212 ALA   A N    1 ? 
ATOM   1655 C  CA   . ALA   A 1 100 ? -13.576 -3.481  16.282  1.000 14.093 0 212 ALA   A CA   1 ? 
ATOM   1656 C  C    . ALA   A 1 100 ? -12.514 -2.384  16.264  1.000 14.388 0 212 ALA   A C    1 ? 
ATOM   1657 O  O    . ALA   A 1 100 ? -11.524 -2.486  15.540  1.000 15.194 0 212 ALA   A O    1 ? 
ATOM   1658 C  CB   . ALA   A 1 100 ? -13.154 -4.622  17.196  1.000 15.269 0 212 ALA   A CB   1 ? 
ATOM   1659 H  H    . ALA   A 1 100 ? -13.044 -4.266  14.474  1.000 14.164 0 212 ALA   A H    1 c 
ATOM   1660 H  HA   . ALA   A 1 100 ? -14.431 -3.090  16.611  1.000 14.317 0 212 ALA   A HA   1 c 
ATOM   1661 H  HB1  . ALA   A 1 100 ? -13.841 -5.310  17.199  1.000 15.033 0 212 ALA   A HB1  1 c 
ATOM   1662 H  HB2  . ALA   A 1 100 ? -12.319 -5.003  16.879  1.000 15.009 0 212 ALA   A HB2  1 c 
ATOM   1663 H  HB3  . ALA   A 1 100 ? -13.031 -4.287  18.101  1.000 15.012 0 212 ALA   A HB3  1 c 
ATOM   1664 N  N    . VAL   A 1 101 ? -12.718 -1.346  17.064  1.000 13.515 0 213 VAL   A N    1 ? 
ATOM   1665 C  CA   . VAL   A 1 101 ? -11.743 -0.276  17.178  1.000 13.470 0 213 VAL   A CA   1 ? 
ATOM   1666 C  C    . VAL   A 1 101 ? -11.321 -0.181  18.637  1.000 14.119 0 213 VAL   A C    1 ? 
ATOM   1667 O  O    . VAL   A 1 101 ? -12.139 -0.133  19.535  1.000 15.190 0 213 VAL   A O    1 ? 
ATOM   1668 C  CB   . VAL   A 1 101 ? -12.292 1.066   16.650  1.000 14.032 0 213 VAL   A CB   1 ? 
ATOM   1669 C  CG1  . VAL   A 1 101 ? -11.284 2.197   16.799  1.000 14.379 0 213 VAL   A CG1  1 ? 
ATOM   1670 C  CG2  . VAL   A 1 101 ? -12.723 0.934   15.190  1.000 14.819 0 213 VAL   A CG2  1 ? 
ATOM   1671 H  H    . VAL   A 1 101 ? -13.486 -1.298  17.557  1.000 13.666 0 213 VAL   A H    1 c 
ATOM   1672 H  HA   . VAL   A 1 101 ? -10.963 -0.514  16.647  1.000 13.574 0 213 VAL   A HA   1 c 
ATOM   1673 H  HB   . VAL   A 1 101 ? -13.087 1.289   17.187  1.000 14.110 0 213 VAL   A HB   1 c 
ATOM   1674 H  HG11 . VAL   A 1 101 ? -10.458 1.958   16.346  1.000 14.369 0 213 VAL   A HG11 1 c 
ATOM   1675 H  HG12 . VAL   A 1 101 ? -11.102 2.350   17.742  1.000 14.308 0 213 VAL   A HG12 1 c 
ATOM   1676 H  HG13 . VAL   A 1 101 ? -11.645 3.008   16.405  1.000 14.276 0 213 VAL   A HG13 1 c 
ATOM   1677 H  HG21 . VAL   A 1 101 ? -13.047 1.792   14.868  1.000 14.640 0 213 VAL   A HG21 1 c 
ATOM   1678 H  HG22 . VAL   A 1 101 ? -13.433 0.274   15.118  1.000 14.665 0 213 VAL   A HG22 1 c 
ATOM   1679 H  HG23 . VAL   A 1 101 ? -11.965 0.652   14.651  1.000 14.667 0 213 VAL   A HG23 1 c 
ATOM   1680 N  N    . ASN   A 1 102 ? -10.003 -0.215  18.877  1.000 13.924 0 214 ASN   A N    1 ? 
ATOM   1681 C  CA   . ASN   A 1 102 ? -9.454  -0.098  20.222  1.000 14.587 0 214 ASN   A CA   1 ? 
ATOM   1682 C  C    . ASN   A 1 102 ? -10.105 -1.141  21.134  1.000 15.097 0 214 ASN   A C    1 ? 
ATOM   1683 O  O    . ASN   A 1 102 ? -10.476 -0.845  22.280  1.000 17.791 0 214 ASN   A O    1 ? 
ATOM   1684 C  CB   . ASN   A 1 102 ? -9.591  1.313   20.779  1.000 14.373 0 214 ASN   A CB   1 ? 
ATOM   1685 C  CG   . ASN   A 1 102 ? -8.956  2.364   19.900  1.000 14.617 0 214 ASN   A CG   1 ? 
ATOM   1686 O  OD1  . ASN   A 1 102 ? -8.059  2.055   19.108  1.000 14.525 0 214 ASN   A OD1  1 ? 
ATOM   1687 N  ND2  . ASN   A 1 102 ? -9.416  3.599   20.021  1.000 15.132 0 214 ASN   A ND2  1 ? 
ATOM   1688 H  H    . ASN   A 1 102 ? -9.424  -0.315  18.177  1.000 14.031 0 214 ASN   A H    1 c 
ATOM   1689 H  HA   . ASN   A 1 102 ? -8.492  -0.300  20.172  1.000 14.577 0 214 ASN   A HA   1 c 
ATOM   1690 H  HB2  . ASN   A 1 102 ? -10.540 1.521   20.888  1.000 14.334 0 214 ASN   A HB2  1 c 
ATOM   1691 H  HB3  . ASN   A 1 102 ? -9.173  1.347   21.663  1.000 14.438 0 214 ASN   A HB3  1 c 
ATOM   1692 H  HD21 . ASN   A 1 102 ? -10.047 3.784   20.617  1.000 14.924 0 214 ASN   A HD21 1 c 
ATOM   1693 H  HD22 . ASN   A 1 102 ? -9.092  4.243   19.504  1.000 14.990 0 214 ASN   A HD22 1 c 
ATOM   1694 N  N    . ASP   A 1 103 ? -10.236 -2.359  20.594  1.000 16.424 0 215 ASP   A N    1 ? 
ATOM   1695 C  CA   . ASP   A 1 103 ? -10.747 -3.527  21.307  1.000 18.308 0 215 ASP   A CA   1 ? 
ATOM   1696 C  C    . ASP   A 1 103 ? -12.234 -3.465  21.666  1.000 19.357 0 215 ASP   A C    1 ? 
ATOM   1697 O  O    . ASP   A 1 103 ? -12.689 -4.287  22.457  1.000 21.344 0 215 ASP   A O    1 ? 
ATOM   1698 C  CB   . ASP   A 1 103 ? -9.893  -3.871  22.515  1.000 19.555 0 215 ASP   A CB   1 ? 
ATOM   1699 C  CG   . ASP   A 1 103 ? -8.490  -4.313  22.151  1.000 22.165 0 215 ASP   A CG   1 ? 
ATOM   1700 O  OD1  . ASP   A 1 103 ? -8.377  -5.211  21.308  1.000 24.051 0 215 ASP   A OD1  1 ? 
ATOM   1701 O  OD2  . ASP   A 1 103 ? -7.541  -3.705  22.666  1.000 27.261 0 215 ASP   A OD2  1 ? 
ATOM   1702 H  H    . ASP   A 1 103 ? -9.979  -2.473  19.724  1.000 16.403 0 215 ASP   A H    1 c 
ATOM   1703 H  HA   . ASP   A 1 103 ? -10.639 -4.297  20.704  1.000 18.267 0 215 ASP   A HA   1 c 
ATOM   1704 H  HB2  . ASP   A 1 103 ? -9.833  -3.099  23.115  1.000 19.670 0 215 ASP   A HB2  1 c 
ATOM   1705 H  HB3  . ASP   A 1 103 ? -10.314 -4.604  23.011  1.000 19.645 0 215 ASP   A HB3  1 c 
ATOM   1706 N  N    . ALA   A 1 104 ? -12.993 -2.544  21.060  1.000 17.578 0 216 ALA   A N    1 ? 
ATOM   1707 C  CA   . ALA   A 1 104 ? -14.436 -2.467  21.246  1.000 17.523 0 216 ALA   A CA   1 ? 
ATOM   1708 C  C    . ALA   A 1 104 ? -15.130 -2.736  19.919  1.000 17.044 0 216 ALA   A C    1 ? 
ATOM   1709 O  O    . ALA   A 1 104 ? -14.833 -2.098  18.919  1.000 16.303 0 216 ALA   A O    1 ? 
ATOM   1710 C  CB   . ALA   A 1 104 ? -14.839 -1.110  21.779  1.000 18.916 0 216 ALA   A CB   1 ? 
ATOM   1711 H  H    . ALA   A 1 104 ? -12.598 -1.943  20.497  1.000 17.818 0 216 ALA   A H    1 c 
ATOM   1712 H  HA   . ALA   A 1 104 ? -14.713 -3.170  21.896  1.000 17.597 0 216 ALA   A HA   1 c 
ATOM   1713 H  HB1  . ALA   A 1 104 ? -14.421 -0.961  22.644  1.000 18.571 0 216 ALA   A HB1  1 c 
ATOM   1714 H  HB2  . ALA   A 1 104 ? -14.551 -0.418  21.161  1.000 18.754 0 216 ALA   A HB2  1 c 
ATOM   1715 H  HB3  . ALA   A 1 104 ? -15.805 -1.070  21.878  1.000 18.552 0 216 ALA   A HB3  1 c 
ATOM   1716 N  N    . HIS   A 1 105 ? -16.128 -3.624  19.941  1.000 17.512 0 217 HIS   A N    1 ? 
ATOM   1717 C  CA   . HIS   A 1 105 ? -16.913 -3.921  18.756  1.000 17.352 0 217 HIS   A CA   1 ? 
ATOM   1718 C  C    . HIS   A 1 105 ? -17.562 -2.641  18.240  1.000 17.124 0 217 HIS   A C    1 ? 
ATOM   1719 O  O    . HIS   A 1 105 ? -18.146 -1.903  19.035  1.000 18.431 0 217 HIS   A O    1 ? 
ATOM   1720 C  CB   . HIS   A 1 105 ? -18.024 -4.928  19.070  1.000 19.059 0 217 HIS   A CB   1 ? 
ATOM   1721 C  CG   . HIS   A 1 105 ? -18.914 -5.166  17.905  1.000 20.888 0 217 HIS   A CG   1 ? 
ATOM   1722 N  ND1  . HIS   A 1 105 ? -18.520 -5.959  16.856  1.000 23.956 0 217 HIS   A ND1  1 ? 
ATOM   1723 C  CD2  . HIS   A 1 105 ? -20.128 -4.690  17.580  1.000 22.063 0 217 HIS   A CD2  1 ? 
ATOM   1724 C  CE1  . HIS   A 1 105 ? -19.479 -5.971  15.938  1.000 24.151 0 217 HIS   A CE1  1 ? 
ATOM   1725 N  NE2  . HIS   A 1 105 ? -20.476 -5.223  16.365  1.000 22.295 0 217 HIS   A NE2  1 ? 
ATOM   1726 H  H    . HIS   A 1 105 ? -16.327 -4.059  20.720  1.000 17.322 0 217 HIS   A H    1 c 
ATOM   1727 H  HA   . HIS   A 1 105 ? -16.315 -4.283  18.056  1.000 17.619 0 217 HIS   A HA   1 c 
ATOM   1728 H  HB2  . HIS   A 1 105 ? -17.616 -5.778  19.342  1.000 19.032 0 217 HIS   A HB2  1 c 
ATOM   1729 H  HB3  . HIS   A 1 105 ? -18.559 -4.587  19.820  1.000 19.113 0 217 HIS   A HB3  1 c 
ATOM   1730 H  HD1  . HIS   A 1 105 ? -17.752 -6.386  16.804  0.000 25.590 0 217 HIS   A HD1  1 c 
ATOM   1731 H  HD2  . HIS   A 1 105 ? -20.661 -4.120  18.098  1.000 21.942 0 217 HIS   A HD2  1 c 
ATOM   1732 H  HE1  . HIS   A 1 105 ? -19.459 -6.458  15.133  1.000 23.509 0 217 HIS   A HE1  1 c 
ATOM   1733 H  HE2  . HIS   A 1 105 ? -21.223 -5.053  15.919  0.000 23.050 0 217 HIS   A HE2  1 c 
ATOM   1734 N  N    . LEU   A 1 106 ? -17.494 -2.424  16.917  1.000 16.305 0 218 LEU   A N    1 ? 
ATOM   1735 C  CA   . LEU   A 1 106 ? -18.034 -1.220  16.306  1.000 16.454 0 218 LEU   A CA   1 ? 
ATOM   1736 C  C    . LEU   A 1 106 ? -19.214 -1.556  15.396  1.000 16.468 0 218 LEU   A C    1 ? 
ATOM   1737 O  O    . LEU   A 1 106 ? -20.309 -1.024  15.575  1.000 17.497 0 218 LEU   A O    1 ? 
ATOM   1738 C  CB   . LEU   A 1 106 ? -16.965 -0.456  15.532  1.000 17.228 0 218 LEU   A CB   1 ? 
ATOM   1739 C  CG   . LEU   A 1 106 ? -17.446 0.814   14.813  1.000 17.254 0 218 LEU   A CG   1 ? 
ATOM   1740 C  CD1  . LEU   A 1 106 ? -18.038 1.853   15.757  1.000 18.845 0 218 LEU   A CD1  1 ? 
ATOM   1741 C  CD2  . LEU   A 1 106 ? -16.291 1.393   14.001  1.000 17.957 0 218 LEU   A CD2  1 ? 
ATOM   1742 H  H    . LEU   A 1 106 ? -17.097 -3.048  16.380  1.000 16.456 0 218 LEU   A H    1 c 
ATOM   1743 H  HA   . LEU   A 1 106 ? -18.372 -0.637  17.031  1.000 16.550 0 218 LEU   A HA   1 c 
ATOM   1744 H  HB2  . LEU   A 1 106 ? -16.249 -0.206  16.161  1.000 17.140 0 218 LEU   A HB2  1 c 
ATOM   1745 H  HB3  . LEU   A 1 106 ? -16.576 -1.065  14.862  1.000 17.074 0 218 LEU   A HB3  1 c 
ATOM   1746 H  HG   . LEU   A 1 106 ? -18.156 0.553   14.172  1.000 17.564 0 218 LEU   A HG   1 c 
ATOM   1747 H  HD11 . LEU   A 1 106 ? -18.824 1.487   16.195  1.000 18.417 0 218 LEU   A HD11 1 c 
ATOM   1748 H  HD12 . LEU   A 1 106 ? -18.290 2.645   15.252  1.000 18.507 0 218 LEU   A HD12 1 c 
ATOM   1749 H  HD13 . LEU   A 1 106 ? -17.378 2.096   16.429  1.000 18.461 0 218 LEU   A HD13 1 c 
ATOM   1750 H  HD21 . LEU   A 1 106 ? -15.996 0.741   13.343  1.000 17.822 0 218 LEU   A HD21 1 c 
ATOM   1751 H  HD22 . LEU   A 1 106 ? -15.552 1.609   14.595  1.000 17.793 0 218 LEU   A HD22 1 c 
ATOM   1752 H  HD23 . LEU   A 1 106 ? -16.586 2.200   13.546  1.000 17.789 0 218 LEU   A HD23 1 c 
ATOM   1753 N  N    . LEU   A 1 107 ? -18.996 -2.416  14.397  1.000 15.635 0 219 LEU   A N    1 ? 
ATOM   1754 C  CA   . LEU   A 1 107 ? -20.054 -2.722  13.443  1.000 16.029 0 219 LEU   A CA   1 ? 
ATOM   1755 C  C    . LEU   A 1 107 ? -19.787 -4.045  12.729  1.000 15.630 0 219 LEU   A C    1 ? 
ATOM   1756 O  O    . LEU   A 1 107 ? -18.693 -4.607  12.798  1.000 15.375 0 219 LEU   A O    1 ? 
ATOM   1757 C  CB   . LEU   A 1 107 ? -20.219 -1.558  12.460  1.000 16.626 0 219 LEU   A CB   1 ? 
ATOM   1758 C  CG   . LEU   A 1 107 ? -19.025 -1.217  11.561  1.000 16.659 0 219 LEU   A CG   1 ? 
ATOM   1759 C  CD1  . LEU   A 1 107 ? -18.915 -2.152  10.374  1.000 17.435 0 219 LEU   A CD1  1 ? 
ATOM   1760 C  CD2  . LEU   A 1 107 ? -19.089 0.232   11.103  1.000 17.909 0 219 LEU   A CD2  1 ? 
ATOM   1761 H  H    . LEU   A 1 107 ? -18.179 -2.816  14.305  1.000 15.688 0 219 LEU   A H    1 c 
ATOM   1762 H  HA   . LEU   A 1 107 ? -20.898 -2.825  13.953  1.000 16.019 0 219 LEU   A HA   1 c 
ATOM   1763 H  HB2  . LEU   A 1 107 ? -20.990 -1.757  11.881  1.000 16.534 0 219 LEU   A HB2  1 c 
ATOM   1764 H  HB3  . LEU   A 1 107 ? -20.455 -0.753  12.976  1.000 16.547 0 219 LEU   A HB3  1 c 
ATOM   1765 H  HG   . LEU   A 1 107 ? -18.199 -1.322  12.100  1.000 16.723 0 219 LEU   A HG   1 c 
ATOM   1766 H  HD11 . LEU   A 1 107 ? -18.716 -3.051  10.680  1.000 17.212 0 219 LEU   A HD11 1 c 
ATOM   1767 H  HD12 . LEU   A 1 107 ? -18.202 -1.848  9.787   1.000 17.245 0 219 LEU   A HD12 1 c 
ATOM   1768 H  HD13 . LEU   A 1 107 ? -19.755 -2.156  9.884   1.000 17.366 0 219 LEU   A HD13 1 c 
ATOM   1769 H  HD21 . LEU   A 1 107 ? -19.064 0.820   11.876  1.000 17.578 0 219 LEU   A HD21 1 c 
ATOM   1770 H  HD22 . LEU   A 1 107 ? -19.913 0.381   10.610  1.000 17.757 0 219 LEU   A HD22 1 c 
ATOM   1771 H  HD23 . LEU   A 1 107 ? -18.330 0.425   10.527  1.000 17.603 0 219 LEU   A HD23 1 c 
ATOM   1772 N  N    . GLN   A 1 108 ? -20.830 -4.554  12.078  1.000 16.094 0 220 GLN   A N    1 ? 
ATOM   1773 C  CA   . GLN   A 1 108 ? -20.724 -5.619  11.097  1.000 17.830 0 220 GLN   A CA   1 ? 
ATOM   1774 C  C    . GLN   A 1 108 ? -21.214 -5.090  9.756   1.000 16.761 0 220 GLN   A C    1 ? 
ATOM   1775 O  O    . GLN   A 1 108 ? -22.092 -4.227  9.720   1.000 18.674 0 220 GLN   A O    1 ? 
ATOM   1776 C  CB   . GLN   A 1 108 ? -21.557 -6.818  11.536  1.000 21.321 0 220 GLN   A CB   1 ? 
ATOM   1777 C  CG   . GLN   A 1 108 ? -21.089 -7.401  12.860  1.000 25.738 0 220 GLN   A CG   1 ? 
ATOM   1778 C  CD   . GLN   A 1 108 ? -21.905 -8.581  13.338  1.000 29.734 0 220 GLN   A CD   1 ? 
ATOM   1779 O  OE1  . GLN   A 1 108 ? -21.638 -9.129  14.414  1.000 36.217 0 220 GLN   A OE1  1 ? 
ATOM   1780 N  NE2  . GLN   A 1 108 ? -22.908 -8.985  12.569  1.000 31.891 0 220 GLN   A NE2  1 ? 
ATOM   1781 H  H    . GLN   A 1 108 ? -21.660 -4.217  12.257  1.000 16.115 0 220 GLN   A H    1 c 
ATOM   1782 H  HA   . GLN   A 1 108 ? -19.776 -5.885  11.017  1.000 17.715 0 220 GLN   A HA   1 c 
ATOM   1783 H  HB2  . GLN   A 1 108 ? -22.493 -6.538  11.619  1.000 21.332 0 220 GLN   A HB2  1 c 
ATOM   1784 H  HB3  . GLN   A 1 108 ? -21.507 -7.508  10.842  1.000 21.099 0 220 GLN   A HB3  1 c 
ATOM   1785 H  HG2  . GLN   A 1 108 ? -20.153 -7.683  12.773  1.000 25.232 0 220 GLN   A HG2  1 c 
ATOM   1786 H  HG3  . GLN   A 1 108 ? -21.125 -6.703  13.547  1.000 25.175 0 220 GLN   A HG3  1 c 
ATOM   1787 H  HE21 . GLN   A 1 108 ? -23.086 -8.600  11.794  1.000 31.089 0 220 GLN   A HE21 1 c 
ATOM   1788 H  HE22 . GLN   A 1 108 ? -23.409 -9.665  12.838  1.000 31.032 0 220 GLN   A HE22 1 c 
ATOM   1789 N  N    . TYR   A 1 109 ? -20.658 -5.632  8.674   1.000 14.987 0 221 TYR   A N    1 ? 
ATOM   1790 C  CA   . TYR   A 1 109 ? -21.025 -5.267  7.316   1.000 14.258 0 221 TYR   A CA   1 ? 
ATOM   1791 C  C    . TYR   A 1 109 ? -21.174 -6.558  6.523   1.000 14.901 0 221 TYR   A C    1 ? 
ATOM   1792 O  O    . TYR   A 1 109 ? -20.190 -7.257  6.302   1.000 15.733 0 221 TYR   A O    1 ? 
ATOM   1793 C  CB   . TYR   A 1 109 ? -19.937 -4.388  6.694   1.000 13.701 0 221 TYR   A CB   1 ? 
ATOM   1794 C  CG   . TYR   A 1 109 ? -20.276 -3.811  5.336   1.000 14.018 0 221 TYR   A CG   1 ? 
ATOM   1795 C  CD1  . TYR   A 1 109 ? -20.984 -2.626  5.253   1.000 14.269 0 221 TYR   A CD1  1 ? 
ATOM   1796 C  CD2  . TYR   A 1 109 ? -19.899 -4.431  4.155   1.000 14.947 0 221 TYR   A CD2  1 ? 
ATOM   1797 C  CE1  . TYR   A 1 109 ? -21.288 -2.059  4.034   1.000 14.490 0 221 TYR   A CE1  1 ? 
ATOM   1798 C  CE2  . TYR   A 1 109 ? -20.216 -3.884  2.922   1.000 15.371 0 221 TYR   A CE2  1 ? 
ATOM   1799 C  CZ   . TYR   A 1 109 ? -20.896 -2.680  2.867   1.000 14.361 0 221 TYR   A CZ   1 ? 
ATOM   1800 O  OH   . TYR   A 1 109 ? -21.210 -2.106  1.682   1.000 15.622 0 221 TYR   A OH   1 ? 
ATOM   1801 H  H    . TYR   A 1 109 ? -20.013 -6.270  8.790   1.000 15.206 0 221 TYR   A H    1 c 
ATOM   1802 H  HA   . TYR   A 1 109 ? -21.888 -4.775  7.322   1.000 14.291 0 221 TYR   A HA   1 c 
ATOM   1803 H  HB2  . TYR   A 1 109 ? -19.748 -3.647  7.311   1.000 13.805 0 221 TYR   A HB2  1 c 
ATOM   1804 H  HB3  . TYR   A 1 109 ? -19.114 -4.921  6.614   1.000 13.869 0 221 TYR   A HB3  1 c 
ATOM   1805 H  HD1  . TYR   A 1 109 ? -21.240 -2.182  6.046   1.000 14.218 0 221 TYR   A HD1  1 c 
ATOM   1806 H  HD2  . TYR   A 1 109 ? -19.419 -5.244  4.190   1.000 14.843 0 221 TYR   A HD2  1 c 
ATOM   1807 H  HE1  . TYR   A 1 109 ? -21.761 -1.245  3.997   1.000 14.420 0 221 TYR   A HE1  1 c 
ATOM   1808 H  HE2  . TYR   A 1 109 ? -19.940 -4.308  2.128   1.000 15.062 0 221 TYR   A HE2  1 c 
ATOM   1809 H  HH   . TYR   A 1 109 ? -20.581 -1.574  1.443   0.000 16.041 0 221 TYR   A HH   1 c 
ATOM   1810 N  N    . ASN   A 1 110 ? -22.397 -6.882  6.117   1.000 15.764 0 222 ASN   A N    1 ? 
ATOM   1811 C  CA   . ASN   A 1 110 ? -22.660 -8.110  5.393   1.000 16.487 0 222 ASN   A CA   1 ? 
ATOM   1812 C  C    . ASN   A 1 110 ? -21.957 -8.113  4.038   1.000 15.203 0 222 ASN   A C    1 ? 
ATOM   1813 O  O    . ASN   A 1 110 ? -21.887 -7.082  3.364   1.000 16.482 0 222 ASN   A O    1 ? 
ATOM   1814 C  CB   . ASN   A 1 110 ? -24.159 -8.282  5.169   1.000 18.283 0 222 ASN   A CB   1 ? 
ATOM   1815 C  CG   . ASN   A 1 110 ? -24.964 -8.558  6.419   1.000 22.177 0 222 ASN   A CG   1 ? 
ATOM   1816 O  OD1  . ASN   A 1 110 ? -26.173 -8.288  6.464   1.000 28.897 0 222 ASN   A OD1  1 ? 
ATOM   1817 N  ND2  . ASN   A 1 110 ? -24.347 -9.131  7.431   1.000 20.814 0 222 ASN   A ND2  1 ? 
ATOM   1818 H  H    . ASN   A 1 110 ? -23.094 -6.318  6.295   1.000 15.762 0 222 ASN   A H    1 c 
ATOM   1819 H  HA   . ASN   A 1 110 ? -22.338 -8.867  5.927   1.000 16.382 0 222 ASN   A HA   1 c 
ATOM   1820 H  HB2  . ASN   A 1 110 ? -24.507 -7.471  4.748   1.000 18.390 0 222 ASN   A HB2  1 c 
ATOM   1821 H  HB3  . ASN   A 1 110 ? -24.298 -9.020  4.543   1.000 18.383 0 222 ASN   A HB3  1 c 
ATOM   1822 H  HD21 . ASN   A 1 110 ? -23.765 -9.788  7.286   1.000 20.914 0 222 ASN   A HD21 1 c 
ATOM   1823 H  HD22 . ASN   A 1 110 ? -24.525 -8.863  8.262   1.000 21.104 0 222 ASN   A HD22 1 c 
ATOM   1824 N  N    . HIS   A 1 111 ? -21.457 -9.292  3.636   1.000 14.505 0 223 HIS   A N    1 ? 
ATOM   1825 C  CA   . HIS   A 1 111 ? -20.793 -9.435  2.348   1.000 14.489 0 223 HIS   A CA   1 ? 
ATOM   1826 C  C    . HIS   A 1 111 ? -21.769 -9.204  1.199   1.000 15.841 0 223 HIS   A C    1 ? 
ATOM   1827 O  O    . HIS   A 1 111 ? -22.720 -9.959  1.034   1.000 17.994 0 223 HIS   A O    1 ? 
ATOM   1828 C  CB   . HIS   A 1 111 ? -20.130 -10.813 2.186   1.000 14.420 0 223 HIS   A CB   1 ? 
ATOM   1829 C  CG   . HIS   A 1 111 ? -19.023 -11.078 3.152   1.000 14.422 0 223 HIS   A CG   1 ? 
ATOM   1830 N  ND1  . HIS   A 1 111 ? -18.003 -10.177 3.379   1.000 14.583 0 223 HIS   A ND1  1 ? 
ATOM   1831 C  CD2  . HIS   A 1 111 ? -18.786 -12.147 3.932   1.000 14.559 0 223 HIS   A CD2  1 ? 
ATOM   1832 C  CE1  . HIS   A 1 111 ? -17.195 -10.703 4.289   1.000 14.818 0 223 HIS   A CE1  1 ? 
ATOM   1833 N  NE2  . HIS   A 1 111 ? -17.669 -11.887 4.655   1.000 14.772 0 223 HIS   A NE2  1 ? 
ATOM   1834 H  H    . HIS   A 1 111 ? -21.535 -10.024 4.177   1.000 14.617 0 223 HIS   A H    1 c 
ATOM   1835 H  HA   . HIS   A 1 111 ? -20.086 -8.745  2.299   1.000 14.622 0 223 HIS   A HA   1 c 
ATOM   1836 H  HB2  . HIS   A 1 111 ? -20.817 -11.505 2.295   1.000 14.414 0 223 HIS   A HB2  1 c 
ATOM   1837 H  HB3  . HIS   A 1 111 ? -19.779 -10.886 1.273   1.000 14.461 0 223 HIS   A HB3  1 c 
ATOM   1838 H  HD1  . HIS   A 1 111 ? -17.911 -9.392  2.971   0.000 14.752 0 223 HIS   A HD1  1 c 
ATOM   1839 H  HD2  . HIS   A 1 111 ? -19.320 -12.913 4.005   1.000 14.450 0 223 HIS   A HD2  1 c 
ATOM   1840 H  HE1  . HIS   A 1 111 ? -16.419 -10.291 4.629   1.000 14.772 0 223 HIS   A HE1  1 c 
ATOM   1841 H  HE2  . HIS   A 1 111 ? -17.303 -12.429 5.256   0.000 14.773 0 223 HIS   A HE2  1 c 
ATOM   1842 N  N    . ARG   A 1 112 ? -21.540 -8.154  0.412   1.000 15.072 0 224 ARG   A N    1 ? 
ATOM   1843 C  CA   . ARG   A 1 112 ? -22.258 -7.906  -0.824  1.000 15.863 0 224 ARG   A CA   1 ? 
ATOM   1844 C  C    . ARG   A 1 112 ? -21.512 -8.547  -1.987  1.000 16.249 0 224 ARG   A C    1 ? 
ATOM   1845 O  O    . ARG   A 1 112 ? -22.109 -9.134  -2.880  1.000 17.287 0 224 ARG   A O    1 ? 
ATOM   1846 C  CB   . ARG   A 1 112 ? -22.379 -6.398  -1.056  1.000 14.800 0 224 ARG   A CB   1 ? 
ATOM   1847 C  CG   . ARG   A 1 112 ? -23.167 -5.715  0.056   1.000 15.805 0 224 ARG   A CG   1 ? 
ATOM   1848 C  CD   . ARG   A 1 112 ? -23.452 -4.257  -0.245  1.000 15.187 0 224 ARG   A CD   1 ? 
ATOM   1849 N  NE   . ARG   A 1 112 ? -23.964 -3.508  0.912   1.000 15.465 0 224 ARG   A NE   1 ? 
ATOM   1850 C  CZ   . ARG   A 1 112 ? -24.081 -2.184  0.930   1.000 15.614 0 224 ARG   A CZ   1 ? 
ATOM   1851 N  NH1  . ARG   A 1 112 ? -23.892 -1.495  -0.190  1.000 15.698 0 224 ARG   A NH1  1 ? 
ATOM   1852 N  NH2  . ARG   A 1 112 ? -24.418 -1.576  2.052   1.000 16.446 0 224 ARG   A NH2  1 ? 
ATOM   1853 H  H    . ARG   A 1 112 ? -20.901 -7.552  0.666   1.000 15.260 0 224 ARG   A H    1 c 
ATOM   1854 H  HA   . ARG   A 1 112 ? -23.163 -8.304  -0.758  1.000 15.720 0 224 ARG   A HA   1 c 
ATOM   1855 H  HB2  . ARG   A 1 112 ? -21.482 -6.005  -1.103  1.000 14.909 0 224 ARG   A HB2  1 c 
ATOM   1856 H  HB3  . ARG   A 1 112 ? -22.828 -6.238  -1.914  1.000 15.114 0 224 ARG   A HB3  1 c 
ATOM   1857 H  HG2  . ARG   A 1 112 ? -24.019 -6.186  0.185   1.000 15.565 0 224 ARG   A HG2  1 c 
ATOM   1858 H  HG3  . ARG   A 1 112 ? -22.659 -5.773  0.895   1.000 15.506 0 224 ARG   A HG3  1 c 
ATOM   1859 H  HD2  . ARG   A 1 112 ? -22.629 -3.833  -0.562  1.000 15.335 0 224 ARG   A HD2  1 c 
ATOM   1860 H  HD3  . ARG   A 1 112 ? -24.108 -4.211  -0.970  1.000 15.339 0 224 ARG   A HD3  1 c 
ATOM   1861 H  HE   . ARG   A 1 112 ? -24.203 -3.956  1.621   1.000 15.406 0 224 ARG   A HE   1 c 
ATOM   1862 H  HH11 . ARG   A 1 112 ? -23.616 -0.653  -0.141  1.000 15.628 0 224 ARG   A HH11 1 c 
ATOM   1863 H  HH12 . ARG   A 1 112 ? -24.044 -1.869  -0.978  1.000 15.719 0 224 ARG   A HH12 1 c 
ATOM   1864 H  HH21 . ARG   A 1 112 ? -24.388 -0.693  2.099   1.000 16.100 0 224 ARG   A HH21 1 c 
ATOM   1865 H  HH22 . ARG   A 1 112 ? -24.674 -2.050  2.752   1.000 16.066 0 224 ARG   A HH22 1 c 
ATOM   1866 N  N    . VAL   A 1 113 ? -20.189 -8.352  -1.988  1.000 16.269 0 225 VAL   A N    1 ? 
ATOM   1867 C  CA   . VAL   A 1 113 ? -19.276 -9.091  -2.851  1.000 16.124 0 225 VAL   A CA   1 ? 
ATOM   1868 C  C    . VAL   A 1 113 ? -19.043 -10.471 -2.240  1.000 16.821 0 225 VAL   A C    1 ? 
ATOM   1869 O  O    . VAL   A 1 113 ? -18.621 -10.586 -1.089  1.000 18.683 0 225 VAL   A O    1 ? 
ATOM   1870 C  CB   . VAL   A 1 113 ? -17.958 -8.322  -3.052  1.000 16.818 0 225 VAL   A CB   1 ? 
ATOM   1871 C  CG1  . VAL   A 1 113 ? -16.937 -9.152  -3.811  1.000 17.039 0 225 VAL   A CG1  1 ? 
ATOM   1872 C  CG2  . VAL   A 1 113 ? -18.189 -6.994  -3.758  1.000 17.748 0 225 VAL   A CG2  1 ? 
ATOM   1873 H  H    . VAL   A 1 113 ? -19.838 -7.720  -1.428  1.000 16.220 0 225 VAL   A H    1 c 
ATOM   1874 H  HA   . VAL   A 1 113 ? -19.702 -9.203  -3.723  1.000 16.306 0 225 VAL   A HA   1 c 
ATOM   1875 H  HB   . VAL   A 1 113 ? -17.591 -8.131  -2.157  1.000 16.862 0 225 VAL   A HB   1 c 
ATOM   1876 H  HG11 . VAL   A 1 113 ? -17.319 -9.446  -4.655  1.000 16.981 0 225 VAL   A HG11 1 c 
ATOM   1877 H  HG12 . VAL   A 1 113 ? -16.687 -9.928  -3.282  1.000 16.964 0 225 VAL   A HG12 1 c 
ATOM   1878 H  HG13 . VAL   A 1 113 ? -16.146 -8.614  -3.985  1.000 17.093 0 225 VAL   A HG13 1 c 
ATOM   1879 H  HG21 . VAL   A 1 113 ? -17.338 -6.547  -3.896  1.000 17.496 0 225 VAL   A HG21 1 c 
ATOM   1880 H  HG22 . VAL   A 1 113 ? -18.765 -6.432  -3.213  1.000 17.495 0 225 VAL   A HG22 1 c 
ATOM   1881 H  HG23 . VAL   A 1 113 ? -18.613 -7.154  -4.618  1.000 17.576 0 225 VAL   A HG23 1 c 
ATOM   1882 N  N    . LYS   A 1 114 ? -19.401 -11.512 -2.997  1.000 17.820 0 226 LYS   A N    1 ? 
ATOM   1883 C  CA   . LYS   A 1 114 ? -19.434 -12.875 -2.490  1.000 18.707 0 226 LYS   A CA   1 ? 
ATOM   1884 C  C    . LYS   A 1 114 ? -18.081 -13.568 -2.664  1.000 18.718 0 226 LYS   A C    1 ? 
ATOM   1885 O  O    . LYS   A 1 114 ? -17.760 -14.478 -1.906  1.000 21.306 0 226 LYS   A O    1 ? 
ATOM   1886 C  CB   . LYS   A 1 114 ? -20.535 -13.658 -3.219  1.000 19.476 0 226 LYS   A CB   1 ? 
ATOM   1887 C  CG   . LYS   A 1 114 ? -21.940 -13.039 -3.260  1.000 21.178 0 226 LYS   A CG   1 ? 
ATOM   1888 C  CD   . LYS   A 1 114 ? -22.435 -12.515 -1.929  1.000 21.574 0 226 LYS   A CD   1 ? 
ATOM   1889 C  CE   . LYS   A 1 114 ? -23.855 -12.094 -1.985  1.000 20.546 0 226 LYS   A CE   1 ? 
ATOM   1890 N  NZ   . LYS   A 1 114 ? -24.318 -11.679 -0.657  1.000 21.860 0 226 LYS   A NZ   1 ? 
ATOM   1891 H  H    . LYS   A 1 114 ? -19.634 -11.367 -3.869  1.000 17.735 0 226 LYS   A H    1 c 
ATOM   1892 H  HA   . LYS   A 1 114 ? -19.653 -12.847 -1.524  1.000 18.658 0 226 LYS   A HA   1 c 
ATOM   1893 H  HB2  . LYS   A 1 114 ? -20.242 -13.800 -4.145  1.000 19.627 0 226 LYS   A HB2  1 c 
ATOM   1894 H  HB3  . LYS   A 1 114 ? -20.605 -14.540 -2.800  1.000 19.620 0 226 LYS   A HB3  1 c 
ATOM   1895 H  HG2  . LYS   A 1 114 ? -21.935 -12.302 -3.908  1.000 20.999 0 226 LYS   A HG2  1 c 
ATOM   1896 H  HG3  . LYS   A 1 114 ? -22.569 -13.718 -3.587  1.000 20.914 0 226 LYS   A HG3  1 c 
ATOM   1897 H  HD2  . LYS   A 1 114 ? -22.337 -13.217 -1.253  1.000 21.216 0 226 LYS   A HD2  1 c 
ATOM   1898 H  HD3  . LYS   A 1 114 ? -21.883 -11.749 -1.659  1.000 21.368 0 226 LYS   A HD3  1 c 
ATOM   1899 H  HE2  . LYS   A 1 114 ? -23.953 -11.349 -2.605  1.000 20.998 0 226 LYS   A HE2  1 c 
ATOM   1900 H  HE3  . LYS   A 1 114 ? -24.406 -12.832 -2.301  1.000 20.866 0 226 LYS   A HE3  1 c 
ATOM   1901 H  HZ1  . LYS   A 1 114 ? -23.821 -10.980 -0.363  1.000 21.583 0 226 LYS   A HZ1  1 c 
ATOM   1902 H  HZ2  . LYS   A 1 114 ? -24.234 -12.367 -0.078  1.000 21.530 0 226 LYS   A HZ2  1 c 
ATOM   1903 H  HZ3  . LYS   A 1 114 ? -25.188 -11.429 -0.699  1.000 21.573 0 226 LYS   A HZ3  1 c 
ATOM   1904 N  N    . LYS   A 1 115 ? -17.272 -13.120 -3.633  1.000 18.552 0 227 LYS   A N    1 ? 
ATOM   1905 C  CA   . LYS   A 1 115 ? -16.014 -13.783 -3.955  1.000 19.706 0 227 LYS   A CA   1 ? 
ATOM   1906 C  C    . LYS   A 1 115 ? -14.898 -13.309 -3.034  1.000 17.957 0 227 LYS   A C    1 ? 
ATOM   1907 O  O    . LYS   A 1 115 ? -14.015 -12.557 -3.449  1.000 18.273 0 227 LYS   A O    1 ? 
ATOM   1908 C  CB   . LYS   A 1 115 ? -15.648 -13.544 -5.420  1.000 22.106 0 227 LYS   A CB   1 ? 
ATOM   1909 C  CG   . LYS   A 1 115 ? -16.538 -14.316 -6.354  1.000 25.547 0 227 LYS   A CG   1 ? 
ATOM   1910 C  CD   . LYS   A 1 115 ? -16.032 -14.333 -7.786  1.000 28.231 0 227 LYS   A CD   1 ? 
ATOM   1911 C  CE   . LYS   A 1 115 ? -16.827 -15.294 -8.602  1.000 30.546 0 227 LYS   A CE   1 ? 
ATOM   1912 N  NZ   . LYS   A 1 115 ? -16.896 -14.887 -10.006 1.000 33.392 0 227 LYS   A NZ   1 ? 
ATOM   1913 H  H    . LYS   A 1 115 ? -17.509 -12.377 -4.110  1.000 18.786 0 227 LYS   A H    1 c 
ATOM   1914 H  HA   . LYS   A 1 115 ? -16.135 -14.758 -3.823  1.000 19.579 0 227 LYS   A HA   1 c 
ATOM   1915 H  HB2  . LYS   A 1 115 ? -15.725 -12.587 -5.625  1.000 22.161 0 227 LYS   A HB2  1 c 
ATOM   1916 H  HB3  . LYS   A 1 115 ? -14.718 -13.815 -5.573  1.000 22.140 0 227 LYS   A HB3  1 c 
ATOM   1917 H  HG2  . LYS   A 1 115 ? -16.610 -15.240 -6.029  1.000 25.207 0 227 LYS   A HG2  1 c 
ATOM   1918 H  HG3  . LYS   A 1 115 ? -17.435 -13.917 -6.335  1.000 25.275 0 227 LYS   A HG3  1 c 
ATOM   1919 H  HD2  . LYS   A 1 115 ? -16.110 -13.434 -8.173  1.000 28.121 0 227 LYS   A HD2  1 c 
ATOM   1920 H  HD3  . LYS   A 1 115 ? -15.089 -14.602 -7.797  1.000 27.953 0 227 LYS   A HD3  1 c 
ATOM   1921 H  HE2  . LYS   A 1 115 ? -16.422 -16.178 -8.548  1.000 30.575 0 227 LYS   A HE2  1 c 
ATOM   1922 H  HE3  . LYS   A 1 115 ? -17.731 -15.351 -8.243  1.000 30.518 0 227 LYS   A HE3  1 c 
ATOM   1923 H  HZ1  . LYS   A 1 115 ? -16.060 -14.781 -10.337 1.000 32.680 0 227 LYS   A HZ1  1 c 
ATOM   1924 H  HZ2  . LYS   A 1 115 ? -17.347 -14.104 -10.077 1.000 32.612 0 227 LYS   A HZ2  1 c 
ATOM   1925 H  HZ3  . LYS   A 1 115 ? -17.328 -15.521 -10.487 1.000 32.796 0 227 LYS   A HZ3  1 c 
ATOM   1926 N  N    . LEU   A 1 116 ? -14.884 -13.828 -1.803  1.000 17.334 0 228 LEU   A N    1 ? 
ATOM   1927 C  CA   . LEU   A 1 116 ? -13.930 -13.386 -0.794  1.000 16.270 0 228 LEU   A CA   1 ? 
ATOM   1928 C  C    . LEU   A 1 116 ? -12.506 -13.667 -1.271  1.000 16.897 0 228 LEU   A C    1 ? 
ATOM   1929 O  O    . LEU   A 1 116 ? -11.621 -12.873 -0.991  1.000 17.103 0 228 LEU   A O    1 ? 
ATOM   1930 C  CB   . LEU   A 1 116 ? -14.111 -13.971 0.611   1.000 16.543 0 228 LEU   A CB   1 ? 
ATOM   1931 C  CG   . LEU   A 1 116 ? -15.476 -13.786 1.256   1.000 17.175 0 228 LEU   A CG   1 ? 
ATOM   1932 C  CD1  . LEU   A 1 116 ? -15.507 -14.479 2.592   1.000 16.636 0 228 LEU   A CD1  1 ? 
ATOM   1933 C  CD2  . LEU   A 1 116 ? -15.815 -12.336 1.394   1.000 18.729 0 228 LEU   A CD2  1 ? 
ATOM   1934 H  H    . LEU   A 1 116 ? -15.488 -14.477 -1.583  1.000 17.116 0 228 LEU   A H    1 c 
ATOM   1935 H  HA   . LEU   A 1 116 ? -14.018 -12.402 -0.727  1.000 16.457 0 228 LEU   A HA   1 c 
ATOM   1936 H  HB2  . LEU   A 1 116 ? -13.921 -14.937 0.566   1.000 16.601 0 228 LEU   A HB2  1 c 
ATOM   1937 H  HB3  . LEU   A 1 116 ? -13.433 -13.570 1.200   1.000 16.507 0 228 LEU   A HB3  1 c 
ATOM   1938 H  HG   . LEU   A 1 116 ? -16.156 -14.208 0.671   1.000 17.242 0 228 LEU   A HG   1 c 
ATOM   1939 H  HD11 . LEU   A 1 116 ? -15.368 -15.432 2.467   1.000 16.800 0 228 LEU   A HD11 1 c 
ATOM   1940 H  HD12 . LEU   A 1 116 ? -16.369 -14.331 3.015   1.000 16.679 0 228 LEU   A HD12 1 c 
ATOM   1941 H  HD13 . LEU   A 1 116 ? -14.804 -14.121 3.160   1.000 16.648 0 228 LEU   A HD13 1 c 
ATOM   1942 H  HD21 . LEU   A 1 116 ? -15.888 -11.932 0.514   1.000 18.315 0 228 LEU   A HD21 1 c 
ATOM   1943 H  HD22 . LEU   A 1 116 ? -15.119 -11.886 1.900   1.000 18.385 0 228 LEU   A HD22 1 c 
ATOM   1944 H  HD23 . LEU   A 1 116 ? -16.663 -12.245 1.861   1.000 18.427 0 228 LEU   A HD23 1 c 
ATOM   1945 N  N    . ASN   A 1 117 ? -12.299 -14.767 -1.997  1.000 17.972 0 229 ASN   A N    1 ? 
ATOM   1946 C  CA   . ASN   A 1 117 ? -10.961 -15.155 -2.418  1.000 19.074 0 229 ASN   A CA   1 ? 
ATOM   1947 C  C    . ASN   A 1 117 ? -10.466 -14.308 -3.594  1.000 18.893 0 229 ASN   A C    1 ? 
ATOM   1948 O  O    . ASN   A 1 117 ? -9.370  -14.564 -4.093  1.000 21.048 0 229 ASN   A O    1 ? 
ATOM   1949 C  CB   . ASN   A 1 117 ? -10.873 -16.651 -2.705  1.000 22.228 0 229 ASN   A CB   1 ? 
ATOM   1950 C  CG   . ASN   A 1 117 ? -11.666 -17.096 -3.908  1.000 26.783 0 229 ASN   A CG   1 ? 
ATOM   1951 O  OD1  . ASN   A 1 117 ? -12.553 -16.389 -4.387  1.000 30.973 0 229 ASN   A OD1  1 ? 
ATOM   1952 N  ND2  . ASN   A 1 117 ? -11.421 -18.316 -4.366  1.000 31.482 0 229 ASN   A ND2  1 ? 
ATOM   1953 H  H    . ASN   A 1 117 ? -13.006 -15.298 -2.228  1.000 17.824 0 229 ASN   A H    1 c 
ATOM   1954 H  HA   . ASN   A 1 117 ? -10.358 -14.981 -1.661  1.000 19.217 0 229 ASN   A HA   1 c 
ATOM   1955 H  HB2  . ASN   A 1 117 ? -9.935  -16.890 -2.843  1.000 22.032 0 229 ASN   A HB2  1 c 
ATOM   1956 H  HB3  . ASN   A 1 117 ? -11.192 -17.141 -1.921  1.000 22.148 0 229 ASN   A HB3  1 c 
ATOM   1957 H  HD21 . ASN   A 1 117 ? -10.820 -18.829 -3.963  1.000 29.955 0 229 ASN   A HD21 1 c 
ATOM   1958 H  HD22 . ASN   A 1 117 ? -11.857 -18.616 -5.078  1.000 30.040 0 229 ASN   A HD22 1 c 
ATOM   1959 N  N    . GLU   A 1 118 ? -11.227 -13.275 -3.991  1.000 18.328 0 230 GLU   A N    1 ? 
ATOM   1960 C  CA   . GLU   A 1 118 ? -10.779 -12.321 -5.000  1.000 17.546 0 230 GLU   A CA   1 ? 
ATOM   1961 C  C    . GLU   A 1 118 ? -10.650 -10.905 -4.437  1.000 15.131 0 230 GLU   A C    1 ? 
ATOM   1962 O  O    . GLU   A 1 118 ? -10.317 -9.989  -5.191  1.000 14.578 0 230 GLU   A O    1 ? 
ATOM   1963 C  CB   . GLU   A 1 118 ? -11.693 -12.313 -6.227  1.000 18.268 0 230 GLU   A CB   1 ? 
ATOM   1964 C  CG   . GLU   A 1 118 ? -11.708 -13.635 -6.991  1.000 20.228 0 230 GLU   A CG   1 ? 
ATOM   1965 C  CD   . GLU   A 1 118 ? -12.523 -13.660 -8.277  1.000 20.482 0 230 GLU   A CD   1 ? 
ATOM   1966 O  OE1  . GLU   A 1 118 ? -13.103 -12.621 -8.630  1.000 21.683 0 230 GLU   A OE1  1 ? 
ATOM   1967 O  OE2  . GLU   A 1 118 ? -12.580 -14.727 -8.931  1.000 23.195 0 230 GLU   A OE2  1 ? 
ATOM   1968 H  H    . GLU   A 1 118 ? -12.066 -13.177 -3.645  1.000 18.230 0 230 GLU   A H    1 c 
ATOM   1969 H  HA   . GLU   A 1 118 ? -9.881  -12.603 -5.309  1.000 17.505 0 230 GLU   A HA   1 c 
ATOM   1970 H  HB2  . GLU   A 1 118 ? -12.606 -12.110 -5.936  1.000 18.355 0 230 GLU   A HB2  1 c 
ATOM   1971 H  HB3  . GLU   A 1 118 ? -11.409 -11.597 -6.831  1.000 18.415 0 230 GLU   A HB3  1 c 
ATOM   1972 H  HG2  . GLU   A 1 118 ? -10.783 -13.879 -7.212  1.000 19.966 0 230 GLU   A HG2  1 c 
ATOM   1973 H  HG3  . GLU   A 1 118 ? -12.054 -14.335 -6.398  1.000 19.889 0 230 GLU   A HG3  1 c 
ATOM   1974 N  N    . ILE   A 1 119 ? -10.882 -10.736 -3.125  1.000 14.876 0 231 ILE   A N    1 ? 
ATOM   1975 C  CA   . ILE   A 1 119 ? -10.713 -9.448  -2.469  1.000 15.101 0 231 ILE   A CA   1 ? 
ATOM   1976 C  C    . ILE   A 1 119 ? -9.245  -9.358  -2.044  1.000 15.711 0 231 ILE   A C    1 ? 
ATOM   1977 O  O    . ILE   A 1 119 ? -8.899  -9.688  -0.909  1.000 17.695 0 231 ILE   A O    1 ? 
ATOM   1978 C  CB   . ILE   A 1 119 ? -11.694 -9.296  -1.285  1.000 15.586 0 231 ILE   A CB   1 ? 
ATOM   1979 C  CG1  . ILE   A 1 119 ? -13.156 -9.475  -1.733  1.000 15.489 0 231 ILE   A CG1  1 ? 
ATOM   1980 C  CG2  . ILE   A 1 119 ? -11.503 -7.970  -0.546  1.000 15.440 0 231 ILE   A CG2  1 ? 
ATOM   1981 C  CD1  . ILE   A 1 119 ? -14.190 -9.528  -0.614  1.000 16.664 0 231 ILE   A CD1  1 ? 
ATOM   1982 H  H    . ILE   A 1 119 ? -11.151 -11.448 -2.620  1.000 14.945 0 231 ILE   A H    1 c 
ATOM   1983 H  HA   . ILE   A 1 119 ? -10.898 -8.741  -3.115  1.000 15.263 0 231 ILE   A HA   1 c 
ATOM   1984 H  HB   . ILE   A 1 119 ? -11.498 -10.014 -0.651  1.000 15.454 0 231 ILE   A HB   1 c 
ATOM   1985 H  HG12 . ILE   A 1 119 ? -13.387 -8.735  -2.332  1.000 15.682 0 231 ILE   A HG12 1 c 
ATOM   1986 H  HG13 . ILE   A 1 119 ? -13.221 -10.303 -2.251  1.000 15.726 0 231 ILE   A HG13 1 c 
ATOM   1987 H  HG21 . ILE   A 1 119 ? -12.130 -7.916  0.195   1.000 15.472 0 231 ILE   A HG21 1 c 
ATOM   1988 H  HG22 . ILE   A 1 119 ? -11.662 -7.231  -1.156  1.000 15.495 0 231 ILE   A HG22 1 c 
ATOM   1989 H  HG23 . ILE   A 1 119 ? -10.597 -7.914  -0.201  1.000 15.362 0 231 ILE   A HG23 1 c 
ATOM   1990 H  HD11 . ILE   A 1 119 ? -13.942 -10.220 0.027   1.000 16.383 0 231 ILE   A HD11 1 c 
ATOM   1991 H  HD12 . ILE   A 1 119 ? -15.066 -9.735  -0.991  1.000 16.438 0 231 ILE   A HD12 1 c 
ATOM   1992 H  HD13 . ILE   A 1 119 ? -14.230 -8.665  -0.159  1.000 16.365 0 231 ILE   A HD13 1 c 
ATOM   1993 N  N    . SER   A 1 120 ? -8.384  -8.923  -2.976  1.000 15.113 0 232 SER   A N    1 ? 
ATOM   1994 C  CA   . SER   A 1 120 ? -6.966  -9.231  -2.893  1.000 15.303 0 232 SER   A CA   1 ? 
ATOM   1995 C  C    . SER   A 1 120 ? -6.117  -8.010  -2.549  1.000 15.071 0 232 SER   A C    1 ? 
ATOM   1996 O  O    . SER   A 1 120 ? -4.884  -8.119  -2.540  1.000 16.054 0 232 SER   A O    1 ? 
ATOM   1997 C  CB   . SER   A 1 120 ? -6.490  -9.888  -4.160  1.000 16.907 0 232 SER   A CB   1 ? 
ATOM   1998 O  OG   . SER   A 1 120 ? -7.299  -11.024 -4.431  1.000 18.472 0 232 SER   A OG   1 ? 
ATOM   1999 H  H    . SER   A 1 120 ? -8.689  -8.423  -3.678  1.000 15.240 0 232 SER   A H    1 c 
ATOM   2000 H  HA   . SER   A 1 120 ? -6.849  -9.884  -2.161  1.000 15.453 0 232 SER   A HA   1 c 
ATOM   2001 H  HB2  . SER   A 1 120 ? -6.550  -9.255  -4.901  1.000 16.859 0 232 SER   A HB2  1 c 
ATOM   2002 H  HB3  . SER   A 1 120 ? -5.559  -10.163 -4.058  1.000 16.883 0 232 SER   A HB3  1 c 
ATOM   2003 H  HG   . SER   A 1 120 ? -7.026  -11.388 -5.139  0.000 19.126 0 232 SER   A HG   1 c 
ATOM   2004 N  N    . LYS   A 1 121 ? -6.737  -6.880  -2.220  1.000 15.387 0 233 LYS   A N    1 ? 
ATOM   2005 C  CA   . LYS   A 1 121 ? -5.991  -5.702  -1.798  1.000 15.904 0 233 LYS   A CA   1 ? 
ATOM   2006 C  C    . LYS   A 1 121 ? -6.784  -4.930  -0.756  1.000 15.230 0 233 LYS   A C    1 ? 
ATOM   2007 O  O    . LYS   A 1 121 ? -8.002  -4.867  -0.853  1.000 15.689 0 233 LYS   A O    1 ? 
ATOM   2008 C  CB   . LYS   A 1 121 ? -5.700  -4.739  -2.956  1.000 19.632 0 233 LYS   A CB   1 ? 
ATOM   2009 C  CG   . LYS   A 1 121 ? -4.747  -5.295  -4.006  1.000 23.270 0 233 LYS   A CG   1 ? 
ATOM   2010 C  CD   . LYS   A 1 121 ? -4.295  -4.292  -5.060  1.000 26.894 0 233 LYS   A CD   1 ? 
ATOM   2011 C  CE   . LYS   A 1 121 ? -3.527  -4.986  -6.145  1.000 30.983 0 233 LYS   A CE   1 ? 
ATOM   2012 N  NZ   . LYS   A 1 121 ? -2.547  -4.107  -6.785  1.000 35.872 0 233 LYS   A NZ   1 ? 
ATOM   2013 H  H    . LYS   A 1 121 ? -7.649  -6.833  -2.259  1.000 15.443 0 233 LYS   A H    1 c 
ATOM   2014 H  HA   . LYS   A 1 121 ? -5.135  -5.996  -1.395  1.000 16.013 0 233 LYS   A HA   1 c 
ATOM   2015 H  HB2  . LYS   A 1 121 ? -6.546  -4.509  -3.395  1.000 19.240 0 233 LYS   A HB2  1 c 
ATOM   2016 H  HB3  . LYS   A 1 121 ? -5.319  -3.912  -2.593  1.000 19.217 0 233 LYS   A HB3  1 c 
ATOM   2017 H  HG2  . LYS   A 1 121 ? -3.955  -5.651  -3.548  1.000 22.939 0 233 LYS   A HG2  1 c 
ATOM   2018 H  HG3  . LYS   A 1 121 ? -5.190  -6.047  -4.457  1.000 22.801 0 233 LYS   A HG3  1 c 
ATOM   2019 H  HD2  . LYS   A 1 121 ? -5.080  -3.848  -5.449  1.000 26.599 0 233 LYS   A HD2  1 c 
ATOM   2020 H  HD3  . LYS   A 1 121 ? -3.724  -3.611  -4.644  1.000 26.720 0 233 LYS   A HD3  1 c 
ATOM   2021 H  HE2  . LYS   A 1 121 ? -3.063  -5.759  -5.776  1.000 30.761 0 233 LYS   A HE2  1 c 
ATOM   2022 H  HE3  . LYS   A 1 121 ? -4.150  -5.305  -6.823  1.000 30.763 0 233 LYS   A HE3  1 c 
ATOM   2023 H  HZ1  . LYS   A 1 121 ? -1.917  -3.862  -6.182  1.000 34.579 0 233 LYS   A HZ1  1 c 
ATOM   2024 H  HZ2  . LYS   A 1 121 ? -2.959  -3.367  -7.104  1.000 34.548 0 233 LYS   A HZ2  1 c 
ATOM   2025 H  HZ3  . LYS   A 1 121 ? -2.147  -4.544  -7.471  1.000 34.685 0 233 LYS   A HZ3  1 c 
ATOM   2026 N  N    . LEU   A 1 122 ? -6.096  -4.371  0.239   1.000 14.208 0 234 LEU   A N    1 ? 
ATOM   2027 C  CA   . LEU   A 1 122 ? -6.661  -3.439  1.198   1.000 14.983 0 234 LEU   A CA   1 ? 
ATOM   2028 C  C    . LEU   A 1 122 ? -5.952  -2.093  1.072   1.000 15.386 0 234 LEU   A C    1 ? 
ATOM   2029 O  O    . LEU   A 1 122 ? -4.776  -1.970  1.402   1.000 17.367 0 234 LEU   A O    1 ? 
ATOM   2030 C  CB   . LEU   A 1 122 ? -6.530  -3.982  2.617   1.000 16.869 0 234 LEU   A CB   1 ? 
ATOM   2031 C  CG   . LEU   A 1 122 ? -6.897  -2.991  3.720   1.000 17.228 0 234 LEU   A CG   1 ? 
ATOM   2032 C  CD1  . LEU   A 1 122 ? -8.346  -2.540  3.586   1.000 17.266 0 234 LEU   A CD1  1 ? 
ATOM   2033 C  CD2  . LEU   A 1 122 ? -6.663  -3.620  5.070   1.000 18.969 0 234 LEU   A CD2  1 ? 
ATOM   2034 H  H    . LEU   A 1 122 ? -5.213  -4.589  0.326   1.000 14.014 0 234 LEU   A H    1 c 
ATOM   2035 H  HA   . LEU   A 1 122 ? -7.619  -3.316  0.987   1.000 15.235 0 234 LEU   A HA   1 c 
ATOM   2036 H  HB2  . LEU   A 1 122 ? -7.113  -4.771  2.700   1.000 16.543 0 234 LEU   A HB2  1 c 
ATOM   2037 H  HB3  . LEU   A 1 122 ? -5.599  -4.271  2.753   1.000 16.591 0 234 LEU   A HB3  1 c 
ATOM   2038 H  HG   . LEU   A 1 122 ? -6.310  -2.196  3.642   1.000 17.414 0 234 LEU   A HG   1 c 
ATOM   2039 H  HD11 . LEU   A 1 122 ? -8.463  -2.060  2.749   1.000 17.214 0 234 LEU   A HD11 1 c 
ATOM   2040 H  HD12 . LEU   A 1 122 ? -8.572  -1.954  4.327   1.000 17.251 0 234 LEU   A HD12 1 c 
ATOM   2041 H  HD13 . LEU   A 1 122 ? -8.931  -3.316  3.598   1.000 17.275 0 234 LEU   A HD13 1 c 
ATOM   2042 H  HD21 . LEU   A 1 122 ? -5.728  -3.868  5.156   1.000 18.728 0 234 LEU   A HD21 1 c 
ATOM   2043 H  HD22 . LEU   A 1 122 ? -7.217  -4.414  5.159   1.000 18.578 0 234 LEU   A HD22 1 c 
ATOM   2044 H  HD23 . LEU   A 1 122 ? -6.895  -2.985  5.769   1.000 18.549 0 234 LEU   A HD23 1 c 
ATOM   2045 N  N    . GLY   A 1 123 ? -6.677  -1.071  0.621   1.000 14.770 0 235 GLY   A N    1 ? 
ATOM   2046 C  CA   . GLY   A 1 123 ? -6.179  0.291   0.579   1.000 15.191 0 235 GLY   A CA   1 ? 
ATOM   2047 C  C    . GLY   A 1 123 ? -6.430  0.981   1.913   1.000 14.953 0 235 GLY   A C    1 ? 
ATOM   2048 O  O    . GLY   A 1 123 ? -7.508  0.870   2.483   1.000 16.097 0 235 GLY   A O    1 ? 
ATOM   2049 H  H    . GLY   A 1 123 ? -7.525  -1.230  0.321   1.000 14.850 0 235 GLY   A H    1 c 
ATOM   2050 H  HA2  . GLY   A 1 123 ? -5.214  0.283   0.379   1.000 15.164 0 235 GLY   A HA2  1 c 
ATOM   2051 H  HA3  . GLY   A 1 123 ? -6.638  0.784   -0.141  1.000 15.040 0 235 GLY   A HA3  1 c 
ATOM   2052 N  N    . ILE   A 1 124 ? -5.425  1.698   2.399   1.000 14.792 0 236 ILE   A N    1 ? 
ATOM   2053 C  CA   . ILE   A 1 124 ? -5.489  2.479   3.619   1.000 15.638 0 236 ILE   A CA   1 ? 
ATOM   2054 C  C    . ILE   A 1 124 ? -5.123  3.917   3.261   1.000 15.986 0 236 ILE   A C    1 ? 
ATOM   2055 O  O    . ILE   A 1 124 ? -4.041  4.171   2.728   1.000 16.844 0 236 ILE   A O    1 ? 
ATOM   2056 C  CB   . ILE   A 1 124 ? -4.540  1.891   4.679   1.000 15.898 0 236 ILE   A CB   1 ? 
ATOM   2057 C  CG1  . ILE   A 1 124 ? -4.851  0.437   4.944   1.000 17.578 0 236 ILE   A CG1  1 ? 
ATOM   2058 C  CG2  . ILE   A 1 124 ? -4.574  2.716   5.963   1.000 16.313 0 236 ILE   A CG2  1 ? 
ATOM   2059 C  CD1  . ILE   A 1 124 ? -3.755  -0.337  5.627   1.000 19.723 0 236 ILE   A CD1  1 ? 
ATOM   2060 H  H    . ILE   A 1 124 ? -4.637  1.701   1.934   1.000 14.927 0 236 ILE   A H    1 c 
ATOM   2061 H  HA   . ILE   A 1 124 ? -6.402  2.457   3.966   1.000 15.650 0 236 ILE   A HA   1 c 
ATOM   2062 H  HB   . ILE   A 1 124 ? -3.631  1.937   4.319   1.000 16.006 0 236 ILE   A HB   1 c 
ATOM   2063 H  HG12 . ILE   A 1 124 ? -5.655  0.389   5.499   1.000 17.550 0 236 ILE   A HG12 1 c 
ATOM   2064 H  HG13 . ILE   A 1 124 ? -5.052  -0.003  4.094   1.000 17.427 0 236 ILE   A HG13 1 c 
ATOM   2065 H  HG21 . ILE   A 1 124 ? -3.989  2.312   6.626   1.000 16.272 0 236 ILE   A HG21 1 c 
ATOM   2066 H  HG22 . ILE   A 1 124 ? -5.481  2.744   6.309   1.000 16.233 0 236 ILE   A HG22 1 c 
ATOM   2067 H  HG23 . ILE   A 1 124 ? -4.271  3.621   5.779   1.000 16.227 0 236 ILE   A HG23 1 c 
ATOM   2068 H  HD11 . ILE   A 1 124 ? -2.950  -0.311  5.077   1.000 19.237 0 236 ILE   A HD11 1 c 
ATOM   2069 H  HD12 . ILE   A 1 124 ? -4.036  -1.264  5.745   1.000 19.134 0 236 ILE   A HD12 1 c 
ATOM   2070 H  HD13 . ILE   A 1 124 ? -3.564  0.057   6.499   1.000 19.165 0 236 ILE   A HD13 1 c 
ATOM   2071 N  N    . SER   A 1 125 ? -6.031  4.854   3.537   1.000 15.834 0 237 SER   A N    1 ? 
ATOM   2072 C  CA   . SER   A 1 125 ? -5.833  6.232   3.136   1.000 16.242 0 237 SER   A CA   1 ? 
ATOM   2073 C  C    . SER   A 1 125 ? -6.476  7.194   4.133   1.000 16.101 0 237 SER   A C    1 ? 
ATOM   2074 O  O    . SER   A 1 125 ? -7.179  6.795   5.066   1.000 15.973 0 237 SER   A O    1 ? 
ATOM   2075 C  CB   . SER   A 1 125 ? -6.325  6.468   1.736   1.000 18.637 0 237 SER   A CB   1 ? 
ATOM   2076 O  OG   . SER   A 1 125 ? -7.724  6.236   1.636   1.000 21.042 0 237 SER   A OG   1 ? 
ATOM   2077 H  H    . SER   A 1 125 ? -6.794  4.629   3.987   1.000 15.881 0 237 SER   A H    1 c 
ATOM   2078 H  HA   . SER   A 1 125 ? -4.858  6.410   3.144   1.000 16.310 0 237 SER   A HA   1 c 
ATOM   2079 H  HB2  . SER   A 1 125 ? -6.130  7.388   1.475   1.000 18.364 0 237 SER   A HB2  1 c 
ATOM   2080 H  HB3  . SER   A 1 125 ? -5.853  5.872   1.124   1.000 18.461 0 237 SER   A HB3  1 c 
ATOM   2081 H  HG   . SER   A 1 125 ? -7.965  6.370   0.833   0.000 22.587 0 237 SER   A HG   1 c 
ATOM   2082 N  N    . GLY   A 1 126 ? -6.148  8.476   3.963   1.000 17.031 0 238 GLY   A N    1 ? 
ATOM   2083 C  CA   . GLY   A 1 126 ? -6.771  9.526   4.747   1.000 17.144 0 238 GLY   A CA   1 ? 
ATOM   2084 C  C    . GLY   A 1 126 ? -5.832  10.082  5.804   1.000 17.059 0 238 GLY   A C    1 ? 
ATOM   2085 O  O    . GLY   A 1 126 ? -4.613  9.957   5.703   1.000 17.216 0 238 GLY   A O    1 ? 
ATOM   2086 H  H    . GLY   A 1 126 ? -5.516  8.704   3.342   1.000 16.824 0 238 GLY   A H    1 c 
ATOM   2087 H  HA2  . GLY   A 1 126 ? -7.047  10.255  4.147   1.000 17.237 0 238 GLY   A HA2  1 c 
ATOM   2088 H  HA3  . GLY   A 1 126 ? -7.582  9.171   5.181   1.000 17.122 0 238 GLY   A HA3  1 c 
ATOM   2089 N  N    . ASP   A 1 127 ? -6.420  10.683  6.833   1.000 16.779 0 239 ASP   A N    1 ? 
ATOM   2090 C  CA   . ASP   A 1 127 ? -5.698  11.604  7.695   1.000 17.034 0 239 ASP   A CA   1 ? 
ATOM   2091 C  C    . ASP   A 1 127 ? -5.119  10.859  8.886   1.000 16.783 0 239 ASP   A C    1 ? 
ATOM   2092 O  O    . ASP   A 1 127 ? -5.482  11.123  10.025  1.000 16.940 0 239 ASP   A O    1 ? 
ATOM   2093 C  CB   . ASP   A 1 127 ? -6.615  12.750  8.086   1.000 18.585 0 239 ASP   A CB   1 ? 
ATOM   2094 C  CG   . ASP   A 1 127 ? -7.119  13.532  6.886   1.000 20.276 0 239 ASP   A CG   1 ? 
ATOM   2095 O  OD1  . ASP   A 1 127 ? -6.340  13.657  5.913   1.000 23.470 0 239 ASP   A OD1  1 ? 
ATOM   2096 O  OD2  . ASP   A 1 127 ? -8.289  13.983  6.927   1.000 20.315 0 239 ASP   A OD2  1 ? 
ATOM   2097 H  H    . ASP   A 1 127 ? -7.300  10.513  7.010   1.000 16.795 0 239 ASP   A H    1 c 
ATOM   2098 H  HA   . ASP   A 1 127 ? -4.951  11.987  7.181   1.000 17.174 0 239 ASP   A HA   1 c 
ATOM   2099 H  HB2  . ASP   A 1 127 ? -7.387  12.393  8.574   1.000 18.496 0 239 ASP   A HB2  1 c 
ATOM   2100 H  HB3  . ASP   A 1 127 ? -6.132  13.363  8.679   1.000 18.502 0 239 ASP   A HB3  1 c 
ATOM   2101 N  N    . ILE   A 1 128 ? -4.188  9.948   8.590   1.000 16.652 0 240 ILE   A N    1 ? 
ATOM   2102 C  CA   . ILE   A 1 128 ? -3.548  9.127   9.600   1.000 16.992 0 240 ILE   A CA   1 ? 
ATOM   2103 C  C    . ILE   A 1 128 ? -2.053  9.046   9.332   1.000 17.954 0 240 ILE   A C    1 ? 
ATOM   2104 O  O    . ILE   A 1 128 ? -1.602  9.198   8.197   1.000 18.613 0 240 ILE   A O    1 ? 
ATOM   2105 C  CB   . ILE   A 1 128 ? -4.132  7.707   9.638   1.000 17.420 0 240 ILE   A CB   1 ? 
ATOM   2106 C  CG1  . ILE   A 1 128 ? -3.862  6.955   8.348   1.000 18.758 0 240 ILE   A CG1  1 ? 
ATOM   2107 C  CG2  . ILE   A 1 128 ? -5.621  7.734   9.990   1.000 18.214 0 240 ILE   A CG2  1 ? 
ATOM   2108 C  CD1  . ILE   A 1 128 ? -4.139  5.462   8.435   1.000 19.977 0 240 ILE   A CD1  1 ? 
ATOM   2109 H  H    . ILE   A 1 128 ? -3.936  9.840   7.719   1.000 16.721 0 240 ILE   A H    1 c 
ATOM   2110 H  HA   . ILE   A 1 128 ? -3.688  9.541   10.473  1.000 17.134 0 240 ILE   A HA   1 c 
ATOM   2111 H  HB   . ILE   A 1 128 ? -3.672  7.225   10.354  1.000 17.579 0 240 ILE   A HB   1 c 
ATOM   2112 H  HG12 . ILE   A 1 128 ? -4.418  7.338   7.639   1.000 18.720 0 240 ILE   A HG12 1 c 
ATOM   2113 H  HG13 . ILE   A 1 128 ? -2.926  7.081   8.095   1.000 18.611 0 240 ILE   A HG13 1 c 
ATOM   2114 H  HG21 . ILE   A 1 128 ? -5.956  6.826   10.069  1.000 18.025 0 240 ILE   A HG21 1 c 
ATOM   2115 H  HG22 . ILE   A 1 128 ? -6.112  8.198   9.291   1.000 18.089 0 240 ILE   A HG22 1 c 
ATOM   2116 H  HG23 . ILE   A 1 128 ? -5.748  8.198   10.835  1.000 18.028 0 240 ILE   A HG23 1 c 
ATOM   2117 H  HD11 . ILE   A 1 128 ? -3.607  5.073   9.154   1.000 19.713 0 240 ILE   A HD11 1 c 
ATOM   2118 H  HD12 . ILE   A 1 128 ? -3.897  5.039   7.589   1.000 19.659 0 240 ILE   A HD12 1 c 
ATOM   2119 H  HD13 . ILE   A 1 128 ? -5.086  5.308   8.613   1.000 19.779 0 240 ILE   A HD13 1 c 
ATOM   2120 N  N    . ASP   A 1 129 ? -1.347  8.761   10.423  1.000 17.260 0 241 ASP   A N    1 ? 
ATOM   2121 C  CA   . ASP   A 1 129 ? 0.003   8.228   10.408  1.000 18.107 0 241 ASP   A CA   1 ? 
ATOM   2122 C  C    . ASP   A 1 129 ? -0.104  6.718   10.602  1.000 16.250 0 241 ASP   A C    1 ? 
ATOM   2123 O  O    . ASP   A 1 129 ? -0.631  6.269   11.618  1.000 19.462 0 241 ASP   A O    1 ? 
ATOM   2124 C  CB   . ASP   A 1 129 ? 0.822   8.877   11.510  1.000 21.404 0 241 ASP   A CB   1 ? 
ATOM   2125 C  CG   . ASP   A 1 129 ? 1.092   10.360  11.298  1.000 27.611 0 241 ASP   A CG   1 ? 
ATOM   2126 O  OD1  . ASP   A 1 129 ? 1.389   10.740  10.140  1.000 32.297 0 241 ASP   A OD1  1 ? 
ATOM   2127 O  OD2  . ASP   A 1 129 ? 1.000   11.126  12.284  1.000 33.850 0 241 ASP   A OD2  1 ? 
ATOM   2128 H  H    . ASP   A 1 129 ? -1.734  8.913   11.237  1.000 17.557 0 241 ASP   A H    1 c 
ATOM   2129 H  HA   . ASP   A 1 129 ? 0.414   8.418   9.535   1.000 17.955 0 241 ASP   A HA   1 c 
ATOM   2130 H  HB2  . ASP   A 1 129 ? 0.351   8.768   12.362  1.000 21.439 0 241 ASP   A HB2  1 c 
ATOM   2131 H  HB3  . ASP   A 1 129 ? 1.683   8.415   11.579  1.000 21.326 0 241 ASP   A HB3  1 c 
ATOM   2132 N  N    . LEU   A 1 130 ? 0.302   5.945   9.595   1.000 16.259 0 242 LEU   A N    1 ? 
ATOM   2133 C  CA   . LEU   A 1 130 ? 0.166   4.495   9.610   1.000 15.255 0 242 LEU   A CA   1 ? 
ATOM   2134 C  C    . LEU   A 1 130 ? 1.394   3.868   10.267  1.000 15.670 0 242 LEU   A C    1 ? 
ATOM   2135 O  O    . LEU   A 1 130 ? 2.519   4.051   9.802   1.000 17.812 0 242 LEU   A O    1 ? 
ATOM   2136 C  CB   . LEU   A 1 130 ? -0.001  3.979   8.184   1.000 15.593 0 242 LEU   A CB   1 ? 
ATOM   2137 C  CG   . LEU   A 1 130 ? -0.201  2.469   8.032   1.000 16.026 0 242 LEU   A CG   1 ? 
ATOM   2138 C  CD1  . LEU   A 1 130 ? -1.432  1.978   8.772   1.000 16.615 0 242 LEU   A CD1  1 ? 
ATOM   2139 C  CD2  . LEU   A 1 130 ? -0.305  2.127   6.555   1.000 16.777 0 242 LEU   A CD2  1 ? 
ATOM   2140 H  H    . LEU   A 1 130 ? 0.683   6.338   8.862   1.000 16.057 0 242 LEU   A H    1 c 
ATOM   2141 H  HA   . LEU   A 1 130 ? -0.638  4.262   10.138  1.000 15.322 0 242 LEU   A HA   1 c 
ATOM   2142 H  HB2  . LEU   A 1 130 ? -0.775  4.436   7.782   1.000 15.560 0 242 LEU   A HB2  1 c 
ATOM   2143 H  HB3  . LEU   A 1 130 ? 0.797   4.239   7.669   1.000 15.596 0 242 LEU   A HB3  1 c 
ATOM   2144 H  HG   . LEU   A 1 130 ? 0.594   2.007   8.404   1.000 16.093 0 242 LEU   A HG   1 c 
ATOM   2145 H  HD11 . LEU   A 1 130 ? -1.329  2.143   9.723   1.000 16.452 0 242 LEU   A HD11 1 c 
ATOM   2146 H  HD12 . LEU   A 1 130 ? -1.542  1.024   8.621   1.000 16.473 0 242 LEU   A HD12 1 c 
ATOM   2147 H  HD13 . LEU   A 1 130 ? -2.217  2.449   8.444   1.000 16.558 0 242 LEU   A HD13 1 c 
ATOM   2148 H  HD21 . LEU   A 1 130 ? 0.504   2.410   6.097   1.000 16.664 0 242 LEU   A HD21 1 c 
ATOM   2149 H  HD22 . LEU   A 1 130 ? -1.071  2.585   6.169   1.000 16.598 0 242 LEU   A HD22 1 c 
ATOM   2150 H  HD23 . LEU   A 1 130 ? -0.417  1.167   6.451   1.000 16.611 0 242 LEU   A HD23 1 c 
ATOM   2151 N  N    . THR   A 1 131 ? 1.184   3.135   11.360  1.000 15.532 0 243 THR   A N    1 ? 
ATOM   2152 C  CA   . THR   A 1 131 ? 2.248   2.418   12.042  1.000 16.613 0 243 THR   A CA   1 ? 
ATOM   2153 C  C    . THR   A 1 131 ? 2.469   1.019   11.459  1.000 16.608 0 243 THR   A C    1 ? 
ATOM   2154 O  O    . THR   A 1 131 ? 3.616   0.628   11.190  1.000 19.496 0 243 THR   A O    1 ? 
ATOM   2155 C  CB   . THR   A 1 131 ? 1.922   2.381   13.533  1.000 19.290 0 243 THR   A CB   1 ? 
ATOM   2156 O  OG1  . THR   A 1 131 ? 1.837   3.751   13.912  1.000 21.600 0 243 THR   A OG1  1 ? 
ATOM   2157 C  CG2  . THR   A 1 131 ? 3.005   1.677   14.323  1.000 19.931 0 243 THR   A CG2  1 ? 
ATOM   2158 H  H    . THR   A 1 131 ? 0.336   3.076   11.695  1.000 15.597 0 243 THR   A H    1 c 
ATOM   2159 H  HA   . THR   A 1 131 ? 3.078   2.929   11.930  1.000 16.760 0 243 THR   A HA   1 c 
ATOM   2160 H  HB   . THR   A 1 131 ? 1.052   1.939   13.685  1.000 19.361 0 243 THR   A HB   1 c 
ATOM   2161 H  HG1  . THR   A 1 131 ? 2.594   4.150   13.759  0.000 22.537 0 243 THR   A HG1  1 c 
ATOM   2162 H  HG21 . THR   A 1 131 ? 2.805   1.738   15.273  1.000 19.796 0 243 THR   A HG21 1 c 
ATOM   2163 H  HG22 . THR   A 1 131 ? 3.862   2.099   14.146  1.000 19.807 0 243 THR   A HG22 1 c 
ATOM   2164 H  HG23 . THR   A 1 131 ? 3.044   0.741   14.063  1.000 19.769 0 243 THR   A HG23 1 c 
ATOM   2165 N  N    A SER   A 1 132 ? 1.364   0.278   11.266  0.500 17.340 0 244 SER   A N    1 ? 
ATOM   2166 N  N    B SER   A 1 132 ? 1.389   0.259   11.275  0.500 15.793 0 244 SER   A N    1 ? 
ATOM   2167 C  CA   A SER   A 1 132 ? 1.385   -1.141  10.938  0.500 18.176 0 244 SER   A CA   1 ? 
ATOM   2168 C  CA   B SER   A 1 132 ? 1.514   -1.056  10.673  0.500 15.513 0 244 SER   A CA   1 ? 
ATOM   2169 C  C    A SER   A 1 132 ? 0.115   -1.538  10.181  0.500 17.471 0 244 SER   A C    1 ? 
ATOM   2170 C  C    B SER   A 1 132 ? 0.162   -1.580  10.211  0.500 15.631 0 244 SER   A C    1 ? 
ATOM   2171 O  O    A SER   A 1 132 ? -0.958  -1.008  10.463  0.500 17.492 0 244 SER   A O    1 ? 
ATOM   2172 O  O    B SER   A 1 132 ? -0.878  -1.235  10.765  0.500 14.973 0 244 SER   A O    1 ? 
ATOM   2173 C  CB   A SER   A 1 132 ? 1.514   -1.959  12.212  0.500 19.855 0 244 SER   A CB   1 ? 
ATOM   2174 C  CB   B SER   A 1 132 ? 2.148   -2.046  11.628  0.500 15.620 0 244 SER   A CB   1 ? 
ATOM   2175 O  OG   A SER   A 1 132 ? 1.822   -3.324  11.960  0.500 21.894 0 244 SER   A OG   1 ? 
ATOM   2176 O  OG   B SER   A 1 132 ? 1.294   -2.288  12.740  0.500 16.581 0 244 SER   A OG   1 ? 
ATOM   2177 H  H    A SER   A 1 132 ? 0.550   0.686   11.347  0.500 17.379 0 244 SER   A H    1 c 
ATOM   2178 H  H    B SER   A 1 132 ? 0.564   0.560   11.528  0.500 15.961 0 244 SER   A H    1 c 
ATOM   2179 H  HA   A SER   A 1 132 ? 2.169   -1.322  10.360  0.500 18.083 0 244 SER   A HA   1 c 
ATOM   2180 H  HA   B SER   A 1 132 ? 2.099   -0.973  9.877   0.500 15.574 0 244 SER   A HA   1 c 
ATOM   2181 H  HB2  A SER   A 1 132 ? 2.213   -1.571  12.772  0.500 19.805 0 244 SER   A HB2  1 c 
ATOM   2182 H  HB2  B SER   A 1 132 ? 2.315   -2.885  11.158  0.500 15.737 0 244 SER   A HB2  1 c 
ATOM   2183 H  HB3  A SER   A 1 132 ? 0.675   -1.910  12.706  0.500 19.789 0 244 SER   A HB3  1 c 
ATOM   2184 H  HB3  B SER   A 1 132 ? 3.003   -1.697  11.942  0.500 15.715 0 244 SER   A HB3  1 c 
ATOM   2185 H  HG   A SER   A 1 132 ? 1.885   -3.733  12.765  0.000 25.677 0 244 SER   A HG   1 c 
ATOM   2186 H  HG   B SER   A 1 132 ? 1.640   -2.804  13.274  0.000 17.594 0 244 SER   A HG   1 c 
ATOM   2187 N  N    . ALA   A 1 133 ? 0.233   -2.487  9.235   1.000 16.876 0 245 ALA   A N    1 ? 
ATOM   2188 C  CA   . ALA   A 1 133 ? -0.921  -3.160  8.659   1.000 17.372 0 245 ALA   A CA   1 ? 
ATOM   2189 C  C    . ALA   A 1 133 ? -0.541  -4.614  8.413   1.000 18.288 0 245 ALA   A C    1 ? 
ATOM   2190 O  O    . ALA   A 1 133 ? 0.401   -4.884  7.675   1.000 20.016 0 245 ALA   A O    1 ? 
ATOM   2191 C  CB   . ALA   A 1 133 ? -1.363  -2.498  7.373   1.000 19.379 0 245 ALA   A CB   1 ? 
ATOM   2192 H  H    . ALA   A 1 133 ? 1.061   -2.712  8.921   1.000 16.784 0 245 ALA   A H    1 c 
ATOM   2193 H  HA   . ALA   A 1 133 ? -1.668  -3.136  9.316   1.000 17.621 0 245 ALA   A HA   1 c 
ATOM   2194 H  HB1  . ALA   A 1 133 ? -1.605  -1.573  7.548   1.000 18.866 0 245 ALA   A HB1  1 c 
ATOM   2195 H  HB2  . ALA   A 1 133 ? -0.638  -2.522  6.726   1.000 19.035 0 245 ALA   A HB2  1 c 
ATOM   2196 H  HB3  . ALA   A 1 133 ? -2.132  -2.968  7.010   1.000 19.006 0 245 ALA   A HB3  1 c 
ATOM   2197 N  N    . SER   A 1 134 ? -1.204  -5.533  9.108   1.000 18.037 0 246 SER   A N    1 ? 
ATOM   2198 C  CA   . SER   A 1 134 ? -0.873  -6.945  9.033   1.000 18.192 0 246 SER   A CA   1 ? 
ATOM   2199 C  C    . SER   A 1 134 ? -2.121  -7.780  9.260   1.000 18.426 0 246 SER   A C    1 ? 
ATOM   2200 O  O    . SER   A 1 134 ? -3.184  -7.246  9.578   1.000 18.396 0 246 SER   A O    1 ? 
ATOM   2201 C  CB   . SER   A 1 134 ? 0.180   -7.301  10.041  1.000 21.822 0 246 SER   A CB   1 ? 
ATOM   2202 O  OG   . SER   A 1 134 ? -0.287  -7.049  11.362  1.000 24.424 0 246 SER   A OG   1 ? 
ATOM   2203 H  H    . SER   A 1 134 ? -1.890  -5.273  9.653   1.000 17.988 0 246 SER   A H    1 c 
ATOM   2204 H  HA   . SER   A 1 134 ? -0.525  -7.142  8.126   1.000 18.666 0 246 SER   A HA   1 c 
ATOM   2205 H  HB2  . SER   A 1 134 ? 0.414   -8.244  9.952   1.000 21.395 0 246 SER   A HB2  1 c 
ATOM   2206 H  HB3  . SER   A 1 134 ? 0.981   -6.770  9.873   1.000 21.431 0 246 SER   A HB3  1 c 
ATOM   2207 H  HG   . SER   A 1 134 ? 0.305   -7.279  11.917  0.000 26.598 0 246 SER   A HG   1 c 
ATOM   2208 N  N    . TYR   A 1 135 ? -1.965  -9.096  9.138   1.000 18.856 0 247 TYR   A N    1 ? 
ATOM   2209 C  CA   . TYR   A 1 135 ? -3.074  -9.981  9.437   1.000 19.231 0 247 TYR   A CA   1 ? 
ATOM   2210 C  C    . TYR   A 1 135 ? -2.549  -11.301 9.972   1.000 19.426 0 247 TYR   A C    1 ? 
ATOM   2211 O  O    . TYR   A 1 135 ? -1.372  -11.638 9.829   1.000 20.610 0 247 TYR   A O    1 ? 
ATOM   2212 C  CB   . TYR   A 1 135 ? -3.954  -10.199 8.212   1.000 21.400 0 247 TYR   A CB   1 ? 
ATOM   2213 C  CG   . TYR   A 1 135 ? -3.203  -10.665 6.981   1.000 22.488 0 247 TYR   A CG   1 ? 
ATOM   2214 C  CD1  . TYR   A 1 135 ? -2.873  -12.004 6.822   1.000 23.729 0 247 TYR   A CD1  1 ? 
ATOM   2215 C  CD2  . TYR   A 1 135 ? -2.819  -9.768  5.988   1.000 23.221 0 247 TYR   A CD2  1 ? 
ATOM   2216 C  CE1  . TYR   A 1 135 ? -2.207  -12.434 5.695   1.000 25.024 0 247 TYR   A CE1  1 ? 
ATOM   2217 C  CE2  . TYR   A 1 135 ? -2.135  -10.189 4.862   1.000 25.316 0 247 TYR   A CE2  1 ? 
ATOM   2218 C  CZ   . TYR   A 1 135 ? -1.820  -11.528 4.727   1.000 26.646 0 247 TYR   A CZ   1 ? 
ATOM   2219 O  OH   . TYR   A 1 135 ? -1.150  -12.026 3.652   1.000 31.577 0 247 TYR   A OH   1 ? 
ATOM   2220 H  H    . TYR   A 1 135 ? -1.170  -9.448  8.856   1.000 18.932 0 247 TYR   A H    1 c 
ATOM   2221 H  HA   . TYR   A 1 135 ? -3.625  -9.558  10.145  1.000 19.403 0 247 TYR   A HA   1 c 
ATOM   2222 H  HB2  . TYR   A 1 135 ? -4.642  -10.865 8.436   1.000 21.100 0 247 TYR   A HB2  1 c 
ATOM   2223 H  HB3  . TYR   A 1 135 ? -4.412  -9.354  8.003   1.000 21.074 0 247 TYR   A HB3  1 c 
ATOM   2224 H  HD1  . TYR   A 1 135 ? -3.132  -12.631 7.479   1.000 23.751 0 247 TYR   A HD1  1 c 
ATOM   2225 H  HD2  . TYR   A 1 135 ? -3.030  -8.853  6.085   1.000 23.268 0 247 TYR   A HD2  1 c 
ATOM   2226 H  HE1  . TYR   A 1 135 ? -1.984  -13.344 5.599   1.000 25.014 0 247 TYR   A HE1  1 c 
ATOM   2227 H  HE2  . TYR   A 1 135 ? -1.878  -9.571  4.199   1.000 25.088 0 247 TYR   A HE2  1 c 
ATOM   2228 H  HH   . TYR   A 1 135 ? -1.711  -12.249 3.042   0.000 37.123 0 247 TYR   A HH   1 c 
ATOM   2229 N  N    . THR   A 1 136 ? -3.459  -12.037 10.596  1.000 20.409 0 248 THR   A N    1 ? 
ATOM   2230 C  CA   . THR   A 1 136 ? -3.195  -13.373 11.080  1.000 21.270 0 248 THR   A CA   1 ? 
ATOM   2231 C  C    . THR   A 1 136 ? -4.495  -14.166 10.971  1.000 20.415 0 248 THR   A C    1 ? 
ATOM   2232 O  O    . THR   A 1 136 ? -5.549  -13.599 10.694  1.000 21.648 0 248 THR   A O    1 ? 
ATOM   2233 C  CB   . THR   A 1 136 ? -2.682  -13.286 12.517  1.000 25.068 0 248 THR   A CB   1 ? 
ATOM   2234 O  OG1  . THR   A 1 136 ? -2.302  -14.617 12.852  1.000 30.337 0 248 THR   A OG1  1 ? 
ATOM   2235 C  CG2  . THR   A 1 136 ? -3.718  -12.727 13.480  1.000 25.879 0 248 THR   A CG2  1 ? 
ATOM   2236 H  H    . THR   A 1 136 ? -4.292  -11.685 10.730  1.000 20.504 0 248 THR   A H    1 c 
ATOM   2237 H  HA   . THR   A 1 136 ? -2.509  -13.792 10.516  1.000 21.427 0 248 THR   A HA   1 c 
ATOM   2238 H  HB   . THR   A 1 136 ? -1.884  -12.707 12.542  1.000 25.093 0 248 THR   A HB   1 c 
ATOM   2239 H  HG1  . THR   A 1 136 ? -2.976  -15.144 12.870  0.000 36.065 0 248 THR   A HG1  1 c 
ATOM   2240 H  HG21 . THR   A 1 136 ? -3.326  -12.645 14.366  1.000 25.564 0 248 THR   A HG21 1 c 
ATOM   2241 H  HG22 . THR   A 1 136 ? -4.483  -13.325 13.521  1.000 25.726 0 248 THR   A HG22 1 c 
ATOM   2242 H  HG23 . THR   A 1 136 ? -4.008  -11.852 13.174  1.000 25.742 0 248 THR   A HG23 1 c 
ATOM   2243 N  N    . MET   A 1 137 ? -4.404  -15.479 11.173  1.000 21.573 0 249 MET   A N    1 ? 
ATOM   2244 C  CA   . MET   A 1 137 ? -5.583  -16.326 11.270  1.000 21.875 0 249 MET   A CA   1 ? 
ATOM   2245 C  C    . MET   A 1 137 ? -5.841  -16.634 12.742  1.000 25.237 0 249 MET   A C    1 ? 
ATOM   2246 O  O    . MET   A 1 137 ? -4.925  -17.041 13.448  1.000 27.793 0 249 MET   A O    1 ? 
ATOM   2247 C  CB   . MET   A 1 137 ? -5.382  -17.631 10.491  1.000 22.981 0 249 MET   A CB   1 ? 
ATOM   2248 C  CG   . MET   A 1 137 ? -5.057  -17.426 9.022   1.000 25.350 0 249 MET   A CG   1 ? 
ATOM   2249 S  SD   . MET   A 1 137 ? -6.418  -16.640 8.142   1.000 28.124 0 249 MET   A SD   1 ? 
ATOM   2250 C  CE   . MET   A 1 137 ? -5.659  -16.267 6.557   1.000 28.562 0 249 MET   A CE   1 ? 
ATOM   2251 H  H    . MET   A 1 137 ? -3.579  -15.863 11.253  1.000 21.551 0 249 MET   A H    1 c 
ATOM   2252 H  HA   . MET   A 1 137 ? -6.359  -15.835 10.903  1.000 22.420 0 249 MET   A HA   1 c 
ATOM   2253 H  HB2  . MET   A 1 137 ? -4.653  -18.137 10.910  1.000 23.050 0 249 MET   A HB2  1 c 
ATOM   2254 H  HB3  . MET   A 1 137 ? -6.199  -18.168 10.563  1.000 23.141 0 249 MET   A HB3  1 c 
ATOM   2255 H  HG2  . MET   A 1 137 ? -4.259  -16.867 8.937   1.000 25.125 0 249 MET   A HG2  1 c 
ATOM   2256 H  HG3  . MET   A 1 137 ? -4.867  -18.290 8.606   1.000 25.130 0 249 MET   A HG3  1 c 
ATOM   2257 H  HE1  . MET   A 1 137 ? -6.311  -15.829 5.979   1.000 28.534 0 249 MET   A HE1  1 c 
ATOM   2258 H  HE2  . MET   A 1 137 ? -4.896  -15.675 6.693   1.000 28.476 0 249 MET   A HE2  1 c 
ATOM   2259 H  HE3  . MET   A 1 137 ? -5.357  -17.094 6.138   1.000 28.494 0 249 MET   A HE3  1 c 
ATOM   2260 N  N    . ILE   A 1 138 ? -7.094  -16.469 13.191  1.000 25.393 0 250 ILE   A N    1 ? 
ATOM   2261 C  CA   . ILE   A 1 138 ? -7.451  -16.725 14.580  1.000 27.951 0 250 ILE   A CA   1 ? 
ATOM   2262 C  C    . ILE   A 1 138 ? -7.847  -18.201 14.763  1.000 30.073 0 250 ILE   A C    1 ? 
ATOM   2263 O  O    . ILE   A 1 138 ? -7.758  -18.648 15.925  1.000 33.233 0 250 ILE   A O    1 ? 
ATOM   2264 C  CB   . ILE   A 1 138 ? -8.579  -15.798 15.078  1.000 31.049 0 250 ILE   A CB   1 ? 
ATOM   2265 C  CG1  . ILE   A 1 138 ? -9.932  -16.139 14.435  1.000 31.652 0 250 ILE   A CG1  1 ? 
ATOM   2266 C  CG2  . ILE   A 1 138 ? -8.213  -14.328 14.883  1.000 33.316 0 250 ILE   A CG2  1 ? 
ATOM   2267 C  CD1  . ILE   A 1 138 ? -11.129 -15.557 15.152  1.000 32.962 0 250 ILE   A CD1  1 ? 
ATOM   2268 O  OXT  . ILE   A 1 138 ? -8.269  -18.841 13.763  1.000 29.520 0 250 ILE   A OXT  1 ? 
ATOM   2269 H  H    . ILE   A 1 138 ? -7.745  -16.188 12.614  1.000 25.886 0 250 ILE   A H    1 c 
ATOM   2270 H  HA   . ILE   A 1 138 ? -6.663  -16.554 15.130  1.000 28.071 0 250 ILE   A HA   1 c 
ATOM   2271 H  HB   . ILE   A 1 138 ? -8.672  -15.950 16.040  1.000 30.916 0 250 ILE   A HB   1 c 
ATOM   2272 H  HG12 . ILE   A 1 138 ? -9.931  -15.811 13.513  1.000 31.493 0 250 ILE   A HG12 1 c 
ATOM   2273 H  HG13 . ILE   A 1 138 ? -10.033 -17.111 14.404  1.000 31.817 0 250 ILE   A HG13 1 c 
ATOM   2274 H  HG21 . ILE   A 1 138 ? -8.918  -13.765 15.243  1.000 32.832 0 250 ILE   A HG21 1 c 
ATOM   2275 H  HG22 . ILE   A 1 138 ? -8.104  -14.141 13.935  1.000 32.703 0 250 ILE   A HG22 1 c 
ATOM   2276 H  HG23 . ILE   A 1 138 ? -7.380  -14.136 15.346  1.000 32.853 0 250 ILE   A HG23 1 c 
ATOM   2277 H  HD11 . ILE   A 1 138 ? -11.146 -15.878 16.074  1.000 32.688 0 250 ILE   A HD11 1 c 
ATOM   2278 H  HD12 . ILE   A 1 138 ? -11.941 -15.845 14.695  1.000 32.690 0 250 ILE   A HD12 1 c 
ATOM   2279 H  HD13 . ILE   A 1 138 ? -11.083 -14.583 15.148  1.000 32.614 0 250 ILE   A HD13 1 c 
HETATM 2280 N  N1   . A1H2R B 2 .   ? -22.872 8.480   -2.802  1.000 24.288 0 301 A1H2R A N1   1 ? 
HETATM 2281 N  N3   . A1H2R B 2 .   ? -21.387 8.763   -4.280  1.000 23.503 0 301 A1H2R A N3   1 ? 
HETATM 2282 C  C4   . A1H2R B 2 .   ? -19.282 9.108   -2.863  1.000 19.354 0 301 A1H2R A C4   1 ? 
HETATM 2283 C  C5   . A1H2R B 2 .   ? -20.761 8.855   -3.082  1.000 21.104 0 301 A1H2R A C5   1 ? 
HETATM 2284 C  C6   . A1H2R B 2 .   ? -21.744 8.667   -2.139  1.000 23.027 0 301 A1H2R A C6   1 ? 
HETATM 2285 C  C7   . A1H2R B 2 .   ? -24.244 8.253   -2.276  1.000 27.184 0 301 A1H2R A C7   1 ? 
HETATM 2286 C  C8   . A1H2R B 2 .   ? -25.327 8.586   -3.267  1.000 29.080 0 301 A1H2R A C8   1 ? 
HETATM 2287 C  C10  . A1H2R B 2 .   ? -24.454 6.857   -1.863  1.000 28.773 0 301 A1H2R A C10  1 ? 
HETATM 2288 C  C13  . A1H2R B 2 .   ? -17.199 7.162   -0.497  1.000 16.115 0 301 A1H2R A C13  1 ? 
HETATM 2289 C  C15  . A1H2R B 2 .   ? -13.157 8.629   -0.773  1.000 19.450 0 301 A1H2R A C15  1 ? 
HETATM 2290 C  C17  . A1H2R B 2 .   ? -10.767 9.288   -0.914  1.000 21.224 0 301 A1H2R A C17  1 ? 
HETATM 2291 C  C20  . A1H2R B 2 .   ? -10.499 9.162   1.837   1.000 22.312 0 301 A1H2R A C20  1 ? 
HETATM 2292 C  C21  . A1H2R B 2 .   ? -11.720 8.876   1.249   1.000 20.170 0 301 A1H2R A C21  1 ? 
HETATM 2293 C  C22  . A1H2R B 2 .   ? -14.447 8.731   -0.305  1.000 17.944 0 301 A1H2R A C22  1 ? 
HETATM 2294 C  C1   . A1H2R B 2 .   ? -17.069 11.829  -1.739  1.000 23.043 0 301 A1H2R A C1   1 ? 
HETATM 2295 O  O1   . A1H2R B 2 .   ? -16.882 10.472  -2.139  1.000 20.749 0 301 A1H2R A O1   1 ? 
HETATM 2296 C  C2   . A1H2R B 2 .   ? -17.385 9.493   -1.224  1.000 17.754 0 301 A1H2R A C2   1 ? 
HETATM 2297 C  C3   . A1H2R B 2 .   ? -18.908 9.350   -1.388  1.000 18.701 0 301 A1H2R A C3   1 ? 
HETATM 2298 O  O2   . A1H2R B 2 .   ? -25.785 7.344   -3.809  1.000 31.423 0 301 A1H2R A O2   1 ? 
HETATM 2299 C  C9   . A1H2R B 2 .   ? -25.449 6.306   -2.872  1.000 30.833 0 301 A1H2R A C9   1 ? 
HETATM 2300 F  F1   . A1H2R B 2 .   ? -23.412 6.027   -1.989  1.000 29.385 0 301 A1H2R A F1   1 ? 
HETATM 2301 N  N2   . A1H2R B 2 .   ? -22.675 8.520   -4.086  1.000 24.657 0 301 A1H2R A N2   1 ? 
HETATM 2302 O  O3   . A1H2R B 2 .   ? -19.375 8.314   -0.521  1.000 17.646 0 301 A1H2R A O3   1 ? 
HETATM 2303 C  C11  . A1H2R B 2 .   ? -18.713 7.042   -0.706  1.000 16.843 0 301 A1H2R A C11  1 ? 
HETATM 2304 C  C12  . A1H2R B 2 .   ? -19.337 6.052   0.267   1.000 15.985 0 301 A1H2R A C12  1 ? 
HETATM 2305 O  O4   . A1H2R B 2 .   ? -20.722 5.873   -0.049  1.000 16.174 0 301 A1H2R A O4   1 ? 
HETATM 2306 O  O5   . A1H2R B 2 .   ? -16.948 7.515   0.858   1.000 15.398 0 301 A1H2R A O5   1 ? 
HETATM 2307 C  C14  . A1H2R B 2 .   ? -16.643 8.211   -1.470  1.000 17.076 0 301 A1H2R A C14  1 ? 
HETATM 2308 N  N4   . A1H2R B 2 .   ? -15.212 8.324   -1.291  1.000 17.255 0 301 A1H2R A N4   1 ? 
HETATM 2309 N  N5   . A1H2R B 2 .   ? -14.498 7.999   -2.341  1.000 19.360 0 301 A1H2R A N5   1 ? 
HETATM 2310 N  N6   . A1H2R B 2 .   ? -13.242 8.196   -2.036  1.000 19.584 0 301 A1H2R A N6   1 ? 
HETATM 2311 C  C16  . A1H2R B 2 .   ? -11.857 8.946   -0.123  1.000 20.787 0 301 A1H2R A C16  1 ? 
HETATM 2312 C  C18  . A1H2R B 2 .   ? -9.553  9.557   -0.332  1.000 22.848 0 301 A1H2R A C18  1 ? 
HETATM 2313 C  C19  . A1H2R B 2 .   ? -9.413  9.498   1.031   1.000 24.529 0 301 A1H2R A C19  1 ? 
HETATM 2314 CL CL1  . A1H2R B 2 .   ? -7.837  9.882   1.744   1.000 40.195 0 301 A1H2R A CL1  1 ? 
HETATM 2315 F  F2   . A1H2R B 2 .   ? -10.457 9.075   3.212   1.000 22.132 0 301 A1H2R A F2   1 ? 
HETATM 2316 F  F3   . A1H2R B 2 .   ? -12.795 8.539   2.046   1.000 21.631 0 301 A1H2R A F3   1 ? 
HETATM 2317 H  H7   . A1H2R B 2 .   ? -18.987 9.981   -3.449  1.000 19.433 0 301 A1H2R A H7   1 c 
HETATM 2318 H  H6   . A1H2R B 2 .   ? -18.719 8.256   -3.245  1.000 19.418 0 301 A1H2R A H6   1 c 
HETATM 2319 H  H8   . A1H2R B 2 .   ? -21.626 8.689   -1.063  1.000 22.613 0 301 A1H2R A H8   1 c 
HETATM 2320 H  H9   . A1H2R B 2 .   ? -24.389 8.889   -1.391  1.000 27.215 0 301 A1H2R A H9   1 c 
HETATM 2321 H  H10  . A1H2R B 2 .   ? -26.148 9.103   -2.765  1.000 29.011 0 301 A1H2R A H10  1 c 
HETATM 2322 H  H11  . A1H2R B 2 .   ? -24.942 9.231   -4.059  1.000 29.121 0 301 A1H2R A H11  1 c 
HETATM 2323 H  H14  . A1H2R B 2 .   ? -24.981 6.868   -0.908  1.000 28.938 0 301 A1H2R A H14  1 c 
HETATM 2324 H  H19  . A1H2R B 2 .   ? -16.735 6.192   -0.723  1.000 16.192 0 301 A1H2R A H19  1 c 
HETATM 2325 H  H22  . A1H2R B 2 .   ? -10.870 9.330   -1.991  1.000 21.531 0 301 A1H2R A H22  1 c 
HETATM 2326 H  H24  . A1H2R B 2 .   ? -14.766 9.058   0.675   1.000 18.122 0 301 A1H2R A H24  1 c 
HETATM 2327 H  H2   . A1H2R B 2 .   ? -16.622 12.469  -2.455  1.000 22.458 0 301 A1H2R A H2   1 c 
HETATM 2328 H  H3   . A1H2R B 2 .   ? -16.615 11.987  -0.795  1.000 22.537 0 301 A1H2R A H3   1 c 
HETATM 2329 H  H1   . A1H2R B 2 .   ? -18.103 12.045  -1.673  1.000 22.504 0 301 A1H2R A H1   1 c 
HETATM 2330 H  H4   . A1H2R B 2 .   ? -17.179 9.819   -0.195  1.000 18.148 0 301 A1H2R A H4   1 c 
HETATM 2331 H  H5   . A1H2R B 2 .   ? -19.372 10.296  -1.077  1.000 18.465 0 301 A1H2R A H5   1 c 
HETATM 2332 H  H12  . A1H2R B 2 .   ? -25.015 5.457   -3.402  1.000 30.336 0 301 A1H2R A H12  1 c 
HETATM 2333 H  H13  . A1H2R B 2 .   ? -26.350 5.966   -2.357  1.000 30.579 0 301 A1H2R A H13  1 c 
HETATM 2334 H  H15  . A1H2R B 2 .   ? -18.892 6.676   -1.726  1.000 16.685 0 301 A1H2R A H15  1 c 
HETATM 2335 H  H16  . A1H2R B 2 .   ? -19.238 6.426   1.288   1.000 16.146 0 301 A1H2R A H16  1 c 
HETATM 2336 H  H17  . A1H2R B 2 .   ? -18.815 5.095   0.203   1.000 16.194 0 301 A1H2R A H17  1 c 
HETATM 2337 H  H18  . A1H2R B 2 .   ? -21.178 6.730   0.012   0.000 16.623 0 301 A1H2R A H18  1 c 
HETATM 2338 H  H20  . A1H2R B 2 .   ? -16.476 8.345   0.895   0.000 15.710 0 301 A1H2R A H20  1 c 
HETATM 2339 H  H21  . A1H2R B 2 .   ? -16.891 7.837   -2.456  1.000 17.046 0 301 A1H2R A H21  1 c 
HETATM 2340 H  H23  . A1H2R B 2 .   ? -8.707  9.832   -0.951  1.000 22.764 0 301 A1H2R A H23  1 c 
HETATM 2341 S  S    . SCN   C 3 .   ? -15.272 11.001  2.554   0.500 25.917 0 302 SCN   A S    1 ? 
HETATM 2342 C  C    . SCN   C 3 .   ? -14.363 11.694  1.480   0.500 24.670 0 302 SCN   A C    1 ? 
HETATM 2343 N  N    . SCN   C 3 .   ? -13.670 12.158  0.699   0.500 23.990 0 302 SCN   A N    1 ? 
HETATM 2344 O  O    . HOH   D 4 .   ? -14.314 8.757   20.327  1.000 34.413 0 401 HOH   A O    1 ? 
HETATM 2345 O  O    . HOH   D 4 .   ? -19.603 -10.508 14.563  1.000 41.320 0 402 HOH   A O    1 ? 
HETATM 2346 O  O    . HOH   D 4 .   ? -25.713 4.512   14.910  1.000 42.741 0 403 HOH   A O    1 ? 
HETATM 2347 O  O    . HOH   D 4 .   ? -10.853 16.432  13.592  1.000 36.547 0 404 HOH   A O    1 ? 
HETATM 2348 O  O    . HOH   D 4 .   ? -20.903 10.593  16.208  1.000 24.710 0 405 HOH   A O    1 ? 
HETATM 2349 O  O    . HOH   D 4 .   ? -8.267  3.504   1.200   1.000 20.479 0 406 HOH   A O    1 ? 
HETATM 2350 O  O    . HOH   D 4 .   ? 3.624   -4.513  1.598   1.000 37.833 0 407 HOH   A O    1 ? 
HETATM 2351 O  O    . HOH   D 4 .   ? -11.217 5.623   -0.508  1.000 32.787 0 408 HOH   A O    1 ? 
HETATM 2352 O  O    . HOH   D 4 .   ? -23.725 13.802  9.048   1.000 26.417 0 409 HOH   A O    1 ? 
HETATM 2353 O  O    . HOH   D 4 .   ? -14.469 -14.679 -10.955 1.000 30.824 0 410 HOH   A O    1 ? 
HETATM 2354 O  O    . HOH   D 4 .   ? -17.618 -4.666  -14.981 1.000 38.787 0 411 HOH   A O    1 ? 
HETATM 2355 O  O    . HOH   D 4 .   ? -24.568 -14.568 9.302   1.000 36.283 0 412 HOH   A O    1 ? 
HETATM 2356 O  O    . HOH   D 4 .   ? -21.838 10.159  1.184   1.000 21.399 0 413 HOH   A O    1 ? 
HETATM 2357 O  O    . HOH   D 4 .   ? -9.883  0.934   -8.407  1.000 29.157 0 414 HOH   A O    1 ? 
HETATM 2358 O  O    . HOH   D 4 .   ? -24.140 -11.418 9.248   1.000 31.070 0 415 HOH   A O    1 ? 
HETATM 2359 O  O    . HOH   D 4 .   ? -23.793 -5.013  3.424   1.000 17.722 0 416 HOH   A O    1 ? 
HETATM 2360 O  O    . HOH   D 4 .   ? -18.672 -5.746  -10.906 1.000 28.147 0 417 HOH   A O    1 ? 
HETATM 2361 O  O    . HOH   D 4 .   ? -11.738 -17.380 0.834   1.000 24.865 0 418 HOH   A O    1 ? 
HETATM 2362 O  O    . HOH   D 4 .   ? -12.058 1.227   -6.951  1.000 41.680 0 419 HOH   A O    1 ? 
HETATM 2363 O  O    . HOH   D 4 .   ? -24.618 -5.127  6.829   1.000 20.449 0 420 HOH   A O    1 ? 
HETATM 2364 O  O    . HOH   D 4 .   ? -13.756 14.484  21.460  1.000 22.262 0 421 HOH   A O    1 ? 
HETATM 2365 O  O    . HOH   D 4 .   ? 2.464   -3.960  5.823   1.000 36.478 0 422 HOH   A O    1 ? 
HETATM 2366 O  O    . HOH   D 4 .   ? -0.642  -4.319  12.351  1.000 21.804 0 423 HOH   A O    1 ? 
HETATM 2367 O  O    . HOH   D 4 .   ? -20.371 9.134   -6.739  1.000 41.636 0 424 HOH   A O    1 ? 
HETATM 2368 O  O    . HOH   D 4 .   ? -28.399 4.499   3.242   1.000 25.812 0 425 HOH   A O    1 ? 
HETATM 2369 O  O    . HOH   D 4 .   ? 0.755   8.036   18.590  1.000 34.106 0 426 HOH   A O    1 ? 
HETATM 2370 O  O    . HOH   D 4 .   ? -20.315 13.669  16.049  1.000 41.750 0 427 HOH   A O    1 ? 
HETATM 2371 O  O    . HOH   D 4 .   ? -10.305 -7.057  20.888  1.000 38.624 0 428 HOH   A O    1 ? 
HETATM 2372 O  O    . HOH   D 4 .   ? -9.900  19.618  9.735   1.000 41.713 0 429 HOH   A O    1 ? 
HETATM 2373 O  O    . HOH   D 4 .   ? -19.006 -6.821  0.251   1.000 15.153 0 430 HOH   A O    1 ? 
HETATM 2374 O  O    . HOH   D 4 .   ? -22.570 -1.785  8.526   1.000 27.043 0 431 HOH   A O    1 ? 
HETATM 2375 O  O    . HOH   D 4 .   ? -2.522  11.470  4.866   1.000 42.791 0 432 HOH   A O    1 ? 
HETATM 2376 O  O    . HOH   D 4 .   ? -1.352  -9.155  12.703  1.000 33.127 0 433 HOH   A O    1 ? 
HETATM 2377 O  O    . HOH   D 4 .   ? -15.469 14.581  7.255   1.000 23.011 0 434 HOH   A O    1 ? 
HETATM 2378 O  O    . HOH   D 4 .   ? -2.917  -8.656  -4.354  1.000 26.373 0 435 HOH   A O    1 ? 
HETATM 2379 O  O    . HOH   D 4 .   ? -17.180 -7.434  -7.083  1.000 20.591 0 436 HOH   A O    1 ? 
HETATM 2380 O  O    . HOH   D 4 .   ? -4.054  -9.310  13.081  1.000 24.245 0 437 HOH   A O    1 ? 
HETATM 2381 O  O    . HOH   D 4 .   ? -15.456 -1.954  -11.450 1.000 20.126 0 438 HOH   A O    1 ? 
HETATM 2382 O  O    . HOH   D 4 .   ? -11.268 14.469  18.014  1.000 31.767 0 439 HOH   A O    1 ? 
HETATM 2383 O  O    . HOH   D 4 .   ? -24.830 -10.699 2.684   1.000 26.481 0 440 HOH   A O    1 ? 
HETATM 2384 O  O    . HOH   D 4 .   ? -22.925 -4.776  15.127  1.000 34.270 0 441 HOH   A O    1 ? 
HETATM 2385 O  O    . HOH   D 4 .   ? -16.219 -0.414  -8.771  1.000 17.688 0 442 HOH   A O    1 ? 
HETATM 2386 O  O    . HOH   D 4 .   ? -23.564 10.937  12.950  1.000 26.986 0 443 HOH   A O    1 ? 
HETATM 2387 O  O    . HOH   D 4 .   ? -21.238 2.418   9.123   1.000 27.490 0 444 HOH   A O    1 ? 
HETATM 2388 O  O    . HOH   D 4 .   ? -22.192 -8.477  -5.613  1.000 39.364 0 445 HOH   A O    1 ? 
HETATM 2389 O  O    . HOH   D 4 .   ? -12.748 4.020   -2.664  1.000 31.468 0 446 HOH   A O    1 ? 
HETATM 2390 O  O    . HOH   D 4 .   ? -7.475  -3.782  -6.723  1.000 34.681 0 447 HOH   A O    1 ? 
HETATM 2391 O  O    . HOH   D 4 .   ? -17.393 -8.944  0.874   1.000 14.907 0 448 HOH   A O    1 ? 
HETATM 2392 O  O    . HOH   D 4 .   ? -26.113 15.276  8.787   1.000 41.195 0 449 HOH   A O    1 ? 
HETATM 2393 O  O    . HOH   D 4 .   ? -21.356 6.254   -7.504  1.000 28.935 0 450 HOH   A O    1 ? 
HETATM 2394 O  O    . HOH   D 4 .   ? -23.186 -0.963  -10.534 1.000 43.026 0 451 HOH   A O    1 ? 
HETATM 2395 O  O    . HOH   D 4 .   ? -7.333  12.848  3.345   1.000 37.148 0 452 HOH   A O    1 ? 
HETATM 2396 O  O    . HOH   D 4 .   ? -33.289 0.982   -1.535  1.000 39.259 0 453 HOH   A O    1 ? 
HETATM 2397 O  O    . HOH   D 4 .   ? -20.233 18.331  5.388   1.000 43.232 0 454 HOH   A O    1 ? 
HETATM 2398 O  O    . HOH   D 4 .   ? -9.686  -3.285  17.900  1.000 16.815 0 455 HOH   A O    1 ? 
HETATM 2399 O  O    . HOH   D 4 .   ? -26.393 -1.806  8.806   1.000 39.297 0 456 HOH   A O    1 ? 
HETATM 2400 O  O    . HOH   D 4 .   ? -18.631 -1.985  21.883  1.000 41.805 0 457 HOH   A O    1 ? 
HETATM 2401 O  O    . HOH   D 4 .   ? -26.571 -9.847  -0.718  1.000 30.501 0 458 HOH   A O    1 ? 
HETATM 2402 O  O    . HOH   D 4 .   ? -11.733 4.354   21.602  1.000 36.706 0 459 HOH   A O    1 ? 
HETATM 2403 O  O    . HOH   D 4 .   ? -15.270 7.418   -5.252  1.000 34.509 0 460 HOH   A O    1 ? 
HETATM 2404 O  O    . HOH   D 4 .   ? -4.566  -12.491 1.804   1.000 34.125 0 461 HOH   A O    1 ? 
HETATM 2405 O  O    . HOH   D 4 .   ? -8.271  7.867   17.028  1.000 19.262 0 462 HOH   A O    1 ? 
HETATM 2406 O  O    . HOH   D 4 .   ? -17.720 5.623   -14.001 1.000 38.090 0 463 HOH   A O    1 ? 
HETATM 2407 O  O    . HOH   D 4 .   ? -23.387 -3.254  12.722  1.000 22.466 0 464 HOH   A O    1 ? 
HETATM 2408 O  O    . HOH   D 4 .   ? -15.175 0.828   18.922  1.000 36.422 0 465 HOH   A O    1 ? 
HETATM 2409 O  O    . HOH   D 4 .   ? -24.977 -8.466  -2.986  1.000 36.303 0 466 HOH   A O    1 ? 
HETATM 2410 O  O    . HOH   D 4 .   ? -10.448 8.259   23.220  1.000 25.202 0 467 HOH   A O    1 ? 
HETATM 2411 O  O    . HOH   D 4 .   ? 0.401   -9.746  7.492   1.000 36.468 0 468 HOH   A O    1 ? 
HETATM 2412 O  O    . HOH   D 4 .   ? -9.895  7.325   20.561  1.000 23.751 0 469 HOH   A O    1 ? 
HETATM 2413 O  O    . HOH   D 4 .   ? -8.285  6.196   18.827  1.000 23.648 0 470 HOH   A O    1 ? 
HETATM 2414 O  O    . HOH   D 4 .   ? 0.818   7.978   6.844   1.000 35.569 0 471 HOH   A O    1 ? 
HETATM 2415 O  O    . HOH   D 4 .   ? -7.960  -16.972 -5.144  1.000 41.008 0 472 HOH   A O    1 ? 
HETATM 2416 O  O    . HOH   D 4 .   ? -1.407  2.762   17.179  1.000 26.032 0 473 HOH   A O    1 ? 
HETATM 2417 O  O    . HOH   D 4 .   ? -26.367 -1.319  -2.770  1.000 24.990 0 474 HOH   A O    1 ? 
HETATM 2418 O  O    . HOH   D 4 .   ? -13.335 6.704   -12.067 1.000 37.646 0 475 HOH   A O    1 ? 
HETATM 2419 O  O    . HOH   D 4 .   ? -25.770 9.707   9.176   1.000 27.250 0 476 HOH   A O    1 ? 
HETATM 2420 O  O    . HOH   D 4 .   ? -30.806 -0.137  -1.372  1.000 36.992 0 477 HOH   A O    1 ? 
HETATM 2421 O  O    . HOH   D 4 .   ? -20.033 3.613   -13.860 1.000 47.417 0 478 HOH   A O    1 ? 
HETATM 2422 O  O    . HOH   D 4 .   ? -13.370 15.408  16.397  1.000 36.072 0 479 HOH   A O    1 ? 
HETATM 2423 O  O    . HOH   D 4 .   ? -24.802 -5.566  9.470   1.000 36.066 0 480 HOH   A O    1 ? 
HETATM 2424 O  O    . HOH   D 4 .   ? -18.542 -18.048 3.837   1.000 26.594 0 481 HOH   A O    1 ? 
HETATM 2425 O  O    . HOH   D 4 .   ? 3.092   -3.117  8.415   1.000 27.012 0 482 HOH   A O    1 ? 
HETATM 2426 O  O    . HOH   D 4 .   ? 1.980   6.578   -1.170  1.000 49.199 0 483 HOH   A O    1 ? 
HETATM 2427 O  O    . HOH   D 4 .   ? -16.646 -5.195  22.506  1.000 52.994 0 484 HOH   A O    1 ? 
HETATM 2428 O  O    . HOH   D 4 .   ? -7.939  -6.692  -5.852  1.000 17.891 0 485 HOH   A O    1 ? 
HETATM 2429 O  O    . HOH   D 4 .   ? -13.556 2.141   21.026  1.000 36.197 0 486 HOH   A O    1 ? 
HETATM 2430 O  O    . HOH   D 4 .   ? -27.293 5.484   0.441   1.000 25.923 0 487 HOH   A O    1 ? 
HETATM 2431 O  O    . HOH   D 4 .   ? -10.322 13.096  -2.647  1.000 43.638 0 488 HOH   A O    1 ? 
HETATM 2432 O  O    . HOH   D 4 .   ? -14.293 7.013   -9.431  1.000 50.176 0 489 HOH   A O    1 ? 
HETATM 2433 O  O    . HOH   D 4 .   ? -0.805  12.455  14.505  1.000 50.739 0 490 HOH   A O    1 ? 
HETATM 2434 O  O    . HOH   D 4 .   ? -19.102 11.611  18.069  1.000 41.556 0 491 HOH   A O    1 ? 
HETATM 2435 O  O    . HOH   D 4 .   ? -4.056  9.369   1.743   1.000 22.908 0 492 HOH   A O    1 ? 
HETATM 2436 O  O    . HOH   D 4 .   ? -22.650 -0.947  -5.346  1.000 32.656 0 493 HOH   A O    1 ? 
HETATM 2437 O  O    . HOH   D 4 .   ? -13.301 12.271  -2.460  1.000 44.953 0 494 HOH   A O    1 ? 
HETATM 2438 O  O    . HOH   D 4 .   ? -19.424 8.120   19.878  1.000 34.121 0 495 HOH   A O    1 ? 
HETATM 2439 O  O    . HOH   D 4 .   ? -4.041  -20.152 13.427  1.000 56.496 0 496 HOH   A O    1 ? 
HETATM 2440 O  O    . HOH   D 4 .   ? -18.918 -11.508 -6.256  1.000 25.560 0 497 HOH   A O    1 ? 
HETATM 2441 O  O    . HOH   D 4 .   ? -14.586 -17.193 -1.828  1.000 35.292 0 498 HOH   A O    1 ? 
HETATM 2442 O  O    . HOH   D 4 .   ? -23.779 -2.452  -3.403  1.000 14.727 0 499 HOH   A O    1 ? 
HETATM 2443 O  O    . HOH   D 4 .   ? -17.543 14.629  5.162   1.000 33.763 0 500 HOH   A O    1 ? 
HETATM 2444 O  O    . HOH   D 4 .   ? -9.263  -19.946 -2.124  1.000 36.978 0 501 HOH   A O    1 ? 
HETATM 2445 O  O    . HOH   D 4 .   ? -22.611 0.560   9.708   1.000 36.551 0 502 HOH   A O    1 ? 
HETATM 2446 O  O    . HOH   D 4 .   ? -26.321 -6.211  2.683   1.000 28.125 0 503 HOH   A O    1 ? 
HETATM 2447 O  O    . HOH   D 4 .   ? -19.928 -8.666  -6.875  1.000 27.239 0 504 HOH   A O    1 ? 
HETATM 2448 O  O    . HOH   D 4 .   ? -20.180 -8.312  -9.655  1.000 48.484 0 505 HOH   A O    1 ? 
HETATM 2449 O  O    . HOH   D 4 .   ? -25.212 -5.696  12.063  1.000 52.749 0 506 HOH   A O    1 ? 
HETATM 2450 O  O    . HOH   D 4 .   ? -24.831 11.824  10.715  1.000 26.972 0 507 HOH   A O    1 ? 
HETATM 2451 O  O    . HOH   D 4 .   ? -15.760 -18.596 2.891   1.000 26.214 0 508 HOH   A O    1 ? 
HETATM 2452 O  O    . HOH   D 4 .   ? -14.562 -18.277 0.657   1.000 37.827 0 509 HOH   A O    1 ? 
HETATM 2453 O  O    . HOH   D 4 .   ? -24.881 -5.066  -3.792  1.000 38.016 0 510 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   ? 0.19569582 0.50518435 0.36574611 0.05312696  0.01365795  -0.00601632 113 PRO   A N    
2    C  CA   . PRO   A 1   ? 0.12383106 0.48705500 0.34270120 0.00867395  0.01257566  -0.00562691 113 PRO   A CA   
3    C  C    . PRO   A 1   ? 0.06133729 0.44951329 0.33179352 0.00007745  0.01304909  -0.00200059 113 PRO   A C    
4    O  O    . PRO   A 1   ? 0.04689893 0.47539976 0.31788841 0.00710592  0.00272925  0.00567593  113 PRO   A O    
5    C  CB   . PRO   A 1   ? 0.21481587 0.48359767 0.36591834 0.01400748  0.02595767  -0.02202804 113 PRO   A CB   
6    C  CG   . PRO   A 1   ? 0.22703390 0.50641584 0.39229608 0.02698187  -0.00040530 -0.01557485 113 PRO   A CG   
7    C  CD   . PRO   A 1   ? 0.23660210 0.52093905 0.38507354 0.03756914  -0.00320590 -0.01483957 113 PRO   A CD   
8    H  H    . PRO   A 1   ? 0.18280005 0.50163025 0.36208683 0.04010973  0.01116071  -0.00898140 113 PRO   A H    
9    H  HA   . PRO   A 1   ? 0.12615074 0.47704062 0.34628215 0.01283992  0.01711856  -0.00661251 113 PRO   A HA   
10   H  HB2  . PRO   A 1   ? 0.19636698 0.49063697 0.36575285 0.01663977  0.01568710  -0.01727035 113 PRO   A HB2  
11   H  HB3  . PRO   A 1   ? 0.19871348 0.49220344 0.36533585 0.01221473  0.01668222  -0.01636488 113 PRO   A HB3  
12   H  HG2  . PRO   A 1   ? 0.22674961 0.50401396 0.38489997 0.02611106  0.00462923  -0.01681234 113 PRO   A HG2  
13   H  HG3  . PRO   A 1   ? 0.22993451 0.50412470 0.38703418 0.02573360  0.00215005  -0.01640223 113 PRO   A HG3  
14   H  HD2  . PRO   A 1   ? 0.23000306 0.51459092 0.38309142 0.03836371  0.00332686  -0.01357972 113 PRO   A HD2  
15   H  HD3  . PRO   A 1   ? 0.22838107 0.51599169 0.38341081 0.04137652  0.00012930  -0.01444890 113 PRO   A HD3  
16   N  N    . LEU   A 2   ? 0.04776875 0.33631828 0.32406902 -0.01007787 0.03371003  0.00115343  114 LEU   A N    
17   C  CA   . LEU   A 2   ? 0.03609838 0.30744407 0.33860576 -0.02523195 0.02037891  0.00880811  114 LEU   A CA   
18   C  C    . LEU   A 2   ? 0.07607142 0.31328613 0.35193717 -0.01195464 0.04145573  0.00957742  114 LEU   A C    
19   O  O    . LEU   A 2   ? 0.15399468 0.34058511 0.39559525 0.04773900  0.05425598  -0.01833200 114 LEU   A O    
20   C  CB   . LEU   A 2   ? 0.07370761 0.28954327 0.37545687 -0.01860394 0.01849971  0.00149196  114 LEU   A CB   
21   C  CG   . LEU   A 2   ? 0.12010355 0.29068914 0.40640080 -0.02780986 0.01308444  0.00709945  114 LEU   A CG   
22   C  CD1  . LEU   A 2   ? 0.12896486 0.28958991 0.43409431 -0.02947411 0.00752840  0.00462873  114 LEU   A CD1  
23   C  CD2  . LEU   A 2   ? 0.15327910 0.31085578 0.41884923 -0.00188558 0.02036140  0.00985650  114 LEU   A CD2  
24   H  H    . LEU   A 2   ? 0.04310910 0.35020652 0.32680625 -0.00969441 0.03044998  0.00147511  114 LEU   A H    
25   H  HA   . LEU   A 2   ? 0.04552675 0.31218737 0.34281659 -0.01849361 0.02945155  0.00625623  114 LEU   A HA   
26   H  HB2  . LEU   A 2   ? 0.07295411 0.29454038 0.37161788 -0.02179976 0.01795788  0.00454480  114 LEU   A HB2  
27   H  HB3  . LEU   A 2   ? 0.07304873 0.29449883 0.37321684 -0.02202573 0.01804995  0.00450056  114 LEU   A HB3  
28   H  HG   . LEU   A 2   ? 0.11617967 0.29428998 0.40572098 -0.02151051 0.01466519  0.00600409  114 LEU   A HG   
29   H  HD11 . LEU   A 2   ? 0.12886465 0.29023957 0.42745435 -0.02959814 0.00769283  0.00588438  114 LEU   A HD11 
30   H  HD12 . LEU   A 2   ? 0.12699427 0.29042670 0.42653471 -0.02923172 0.00908555  0.00544027  114 LEU   A HD12 
31   H  HD13 . LEU   A 2   ? 0.12709267 0.29011187 0.42850021 -0.02908449 0.00960244  0.00558972  114 LEU   A HD13 
32   H  HD21 . LEU   A 2   ? 0.14650197 0.31006294 0.41442087 -0.00427907 0.02004760  0.01060593  114 LEU   A HD21 
33   H  HD22 . LEU   A 2   ? 0.14328998 0.30561727 0.41662320 -0.00865980 0.01901169  0.00936972  114 LEU   A HD22 
34   H  HD23 . LEU   A 2   ? 0.14331596 0.30629796 0.41509500 -0.00891449 0.01876093  0.00916167  114 LEU   A HD23 
35   N  N    . ILE   A 3   ? 0.09339342 0.33641735 0.34216011 -0.02544934 0.02631846  0.01457383  115 ILE   A N    
36   C  CA   . ILE   A 3   ? 0.10466260 0.33942071 0.36286592 -0.03594253 -0.01116857 0.02043384  115 ILE   A CA   
37   C  C    . ILE   A 3   ? 0.09111444 0.32907403 0.32004827 -0.01001597 0.00142552  0.00356366  115 ILE   A C    
38   O  O    . ILE   A 3   ? 0.14129084 0.38701668 0.33398193 0.02378165  -0.01005426 -0.02023485 115 ILE   A O    
39   C  CB   . ILE   A 3   ? 0.16023712 0.36228496 0.41669714 -0.04699389 -0.01944986 0.05060737  115 ILE   A CB   
40   C  CG1  . ILE   A 3   ? 0.21006942 0.38739496 0.43114060 -0.02836009 -0.06225289 0.05139396  115 ILE   A CG1  
41   C  CG2  . ILE   A 3   ? 0.16904002 0.36420301 0.45003524 -0.05972309 -0.03075399 0.05595915  115 ILE   A CG2  
42   C  CD1  . ILE   A 3   ? 0.23903990 0.39440906 0.46220428 0.00433240  -0.06121708 0.05396307  115 ILE   A CD1  
43   H  H    . ILE   A 3   ? 0.08989545 0.33075404 0.34827042 -0.02363685 0.02303628  0.01398058  115 ILE   A H    
44   H  HA   . ILE   A 3   ? 0.10886088 0.34104490 0.36031574 -0.02975870 -0.00284941 0.02204849  115 ILE   A HA   
45   H  HB   . ILE   A 3   ? 0.15687887 0.36188304 0.41370058 -0.04382109 -0.02720844 0.04628924  115 ILE   A HB   
46   H  HG12 . ILE   A 3   ? 0.20335619 0.38515776 0.43311557 -0.02720790 -0.05086675 0.05082835  115 ILE   A HG12 
47   H  HG13 . ILE   A 3   ? 0.20462464 0.38473967 0.43514737 -0.02448960 -0.05289633 0.04983592  115 ILE   A HG13 
48   H  HG21 . ILE   A 3   ? 0.16705087 0.36414775 0.44064662 -0.05529906 -0.02773397 0.05437669  115 ILE   A HG21 
49   H  HG22 . ILE   A 3   ? 0.16772644 0.36481079 0.44312865 -0.05567937 -0.02881269 0.05592880  115 ILE   A HG22 
50   H  HG23 . ILE   A 3   ? 0.16674569 0.36332002 0.43948004 -0.05500794 -0.02682073 0.05416648  115 ILE   A HG23 
51   H  HD11 . ILE   A 3   ? 0.22986440 0.39001817 0.45259136 -0.00419243 -0.06076799 0.05283809  115 ILE   A HD11 
52   H  HD12 . ILE   A 3   ? 0.23734583 0.39231446 0.45381063 -0.00348182 -0.05825908 0.05312328  115 ILE   A HD12 
53   H  HD13 . ILE   A 3   ? 0.23091367 0.39365312 0.45369661 -0.00301236 -0.06225707 0.04985236  115 ILE   A HD13 
54   N  N    . VAL   A 4   ? 0.10829598 0.31614017 0.30431879 -0.00662927 0.01262102  -0.00303248 116 VAL   A N    
55   C  CA   . VAL   A 4   ? 0.13237505 0.31723619 0.28968149 -0.01282871 0.00711718  -0.00057344 116 VAL   A CA   
56   C  C    . VAL   A 4   ? 0.10829341 0.30454707 0.29109111 -0.02218776 0.00517716  0.00279095  116 VAL   A C    
57   O  O    . VAL   A 4   ? 0.15867749 0.28767753 0.33118474 -0.02521303 0.00008745  0.01049698  116 VAL   A O    
58   C  CB   . VAL   A 4   ? 0.16045931 0.35333708 0.31023800 0.00052052  0.02423665  0.00131674  116 VAL   A CB   
59   C  CG1  . VAL   A 4   ? 0.14565167 0.36987883 0.31538129 -0.01029200 0.03257567  0.00813843  116 VAL   A CG1  
60   C  CG2  . VAL   A 4   ? 0.21211044 0.36179504 0.32076395 0.00921502  0.02426632  0.00381007  116 VAL   A CG2  
61   H  HA   . VAL   A 4   ? 0.12631205 0.31863770 0.29617861 -0.01087948 0.01060661  -0.00039845 116 VAL   A HA   
62   H  HB   . VAL   A 4   ? 0.16059485 0.34888595 0.30900508 -0.00225598 0.02335524  0.00312646  116 VAL   A HB   
63   H  HG11 . VAL   A 4   ? 0.14936246 0.36514977 0.31370792 -0.00697808 0.03037777  0.00625682  116 VAL   A HG11 
64   H  HG12 . VAL   A 4   ? 0.14953220 0.36724690 0.31400406 -0.00705934 0.03039232  0.00700748  116 VAL   A HG12 
65   H  HG13 . VAL   A 4   ? 0.14782439 0.36536822 0.31308356 -0.00674531 0.03146409  0.00613883  116 VAL   A HG13 
66   H  HG21 . VAL   A 4   ? 0.20191921 0.35884729 0.32075393 0.00638563  0.02087754  0.00313387  116 VAL   A HG21 
67   H  HG22 . VAL   A 4   ? 0.19696325 0.35924742 0.31898886 0.00651689  0.02412635  0.00275549  116 VAL   A HG22 
68   H  HG23 . VAL   A 4   ? 0.20091631 0.36059183 0.32062405 0.00779135  0.02695579  0.00361280  116 VAL   A HG23 
69   N  N    . PRO   A 5   ? 0.11737636 0.30749866 0.28828481 -0.01750010 -0.00904275 0.00610508  117 PRO   A N    
70   C  CA   . PRO   A 5   ? 0.10265135 0.30748001 0.29907435 -0.00632740 0.00173638  0.00576424  117 PRO   A CA   
71   C  C    . PRO   A 5   ? 0.10054598 0.29586706 0.30079845 -0.01192009 0.02339395  0.00359369  117 PRO   A C    
72   O  O    . PRO   A 5   ? 0.10877103 0.33277798 0.32635322 -0.02568549 0.04186710  -0.00618787 117 PRO   A O    
73   C  CB   . PRO   A 5   ? 0.14735208 0.34141403 0.31803948 -0.01502067 -0.01991661 0.00308669  117 PRO   A CB   
74   C  CG   . PRO   A 5   ? 0.16553928 0.35592577 0.30633345 -0.02733699 -0.02545468 0.00380898  117 PRO   A CG   
75   C  CD   . PRO   A 5   ? 0.14264075 0.34097379 0.29770786 -0.03222023 -0.02252827 0.01555816  117 PRO   A CD   
76   H  HA   . PRO   A 5   ? 0.11158815 0.31048110 0.29855260 -0.01083230 0.00225030  0.00474216  117 PRO   A HA   
77   H  HB2  . PRO   A 5   ? 0.14079906 0.33758405 0.31134894 -0.01551129 -0.01548198 0.00506094  117 PRO   A HB2  
78   H  HB3  . PRO   A 5   ? 0.14496501 0.33703136 0.31129089 -0.01722981 -0.01690297 0.00473353  117 PRO   A HB3  
79   H  HG2  . PRO   A 5   ? 0.15770195 0.35005477 0.30841181 -0.02687748 -0.02445499 0.00716678  117 PRO   A HG2  
80   H  HG3  . PRO   A 5   ? 0.15799151 0.35043070 0.30844367 -0.02723482 -0.02220813 0.00542551  117 PRO   A HG3  
81   H  HD2  . PRO   A 5   ? 0.14141300 0.33576173 0.29729471 -0.02773374 -0.01976187 0.01091122  117 PRO   A HD2  
82   H  HD3  . PRO   A 5   ? 0.14230911 0.33871931 0.29729441 -0.02963967 -0.02020339 0.01163562  117 PRO   A HD3  
83   N  N    . TYR   A 6   ? 0.07995787 0.27718630 0.30427954 -0.00800802 0.03119066  -0.01043256 118 TYR   A N    
84   C  CA   . TYR   A 6   ? 0.06691239 0.28054994 0.32618430 -0.00812586 0.02777778  -0.00344948 118 TYR   A CA   
85   C  C    . TYR   A 6   ? 0.07909222 0.28583208 0.32861432 -0.00702738 0.03111355  -0.01883994 118 TYR   A C    
86   O  O    . TYR   A 6   ? 0.07668865 0.30503893 0.36990541 -0.02393185 0.04301346  -0.05488989 118 TYR   A O    
87   C  CB   . TYR   A 6   ? 0.06301072 0.29480302 0.34385967 0.00103461  0.01224148  -0.00255784 118 TYR   A CB   
88   C  CG   . TYR   A 6   ? 0.06080082 0.32382250 0.37509021 0.02792893  0.00553120  0.00362104  118 TYR   A CG   
89   C  CD1  . TYR   A 6   ? 0.08275580 0.35644248 0.43619937 0.07692228  0.03432505  0.04355438  118 TYR   A CD1  
90   C  CD2  . TYR   A 6   ? 0.07131372 0.33035567 0.36959788 0.03000151  0.00695182  0.00576157  118 TYR   A CD2  
91   C  CE1  . TYR   A 6   ? 0.14835310 0.34863618 0.45798177 0.08503279  0.02262177  0.03750084  118 TYR   A CE1  
92   C  CE2  . TYR   A 6   ? 0.10837973 0.32779196 0.39546508 0.02858618  -0.00238638 0.01123651  118 TYR   A CE2  
93   C  CZ   . TYR   A 6   ? 0.13610135 0.34238559 0.42602393 0.08149263  0.00955139  0.02395361  118 TYR   A CZ   
94   O  OH   . TYR   A 6   ? 0.24272108 0.34307170 0.47377089 0.10740763  0.00664097  0.03204589  118 TYR   A OH   
95   H  H    . TYR   A 6   ? 0.07848258 0.28253028 0.30767059 -0.00876031 0.02991279  -0.00561101 118 TYR   A H    
96   H  HA   . TYR   A 6   ? 0.07019092 0.28383064 0.32411808 -0.00647753 0.02816795  -0.00751366 118 TYR   A HA   
97   H  HB2  . TYR   A 6   ? 0.06184152 0.29505157 0.34553307 0.00276728  0.01391357  -0.00196514 118 TYR   A HB2  
98   H  HB3  . TYR   A 6   ? 0.06380142 0.29689151 0.34625518 0.00443540  0.01390115  -0.00141269 118 TYR   A HB3  
99   H  HD1  . TYR   A 6   ? 0.08922499 0.34459317 0.41976795 0.06564768  0.02367276  0.03080370  118 TYR   A HD1  
100  H  HD2  . TYR   A 6   ? 0.07279627 0.32716432 0.37479824 0.03071091  0.00781333  0.00608960  118 TYR   A HD2  
101  H  HE1  . TYR   A 6   ? 0.13800561 0.34891769 0.44616291 0.07909199  0.01641347  0.03653292  118 TYR   A HE1  
102  H  HE2  . TYR   A 6   ? 0.10327511 0.33017772 0.39349610 0.04027097  0.00338940  0.01364199  118 TYR   A HE2  
103  H  HH   . TYR   A 6   ? 0.38613501 0.38613501 0.38613501 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
104  N  N    . ASN   A 7   ? 0.10699616 0.30215469 0.34583011 -0.00394842 0.05490290  -0.03016683 119 ASN   A N    
105  C  CA   . ASN   A 7   ? 0.11812215 0.31464523 0.36383590 0.00136241  0.04011402  -0.03504704 119 ASN   A CA   
106  C  C    . ASN   A 7   ? 0.11123775 0.29773098 0.36747447 -0.00442894 0.03128398  -0.03923379 119 ASN   A C    
107  O  O    . ASN   A 7   ? 0.13767482 0.32817701 0.44344330 0.02648722  0.06698110  -0.03461685 119 ASN   A O    
108  C  CB   . ASN   A 7   ? 0.23726384 0.36499548 0.39732760 0.00028845  0.02932922  -0.02923088 119 ASN   A CB   
109  C  CG   . ASN   A 7   ? 0.25606981 0.41653925 0.48070443 0.01179636  0.01413963  -0.04293624 119 ASN   A CG   
110  O  OD1  . ASN   A 7   ? 0.34214988 0.41747829 0.52197927 0.01598423  0.01403007  -0.00387977 119 ASN   A OD1  
111  N  ND2  . ASN   A 7   ? 0.25933975 0.44904709 0.50896913 0.02678176  -0.00977356 -0.03922106 119 ASN   A ND2  
112  H  H    . ASN   A 7   ? 0.10029732 0.29992661 0.34434956 -0.00375271 0.04562981  -0.02784252 119 ASN   A H    
113  H  HA   . ASN   A 7   ? 0.12058736 0.31413364 0.36415118 0.00002878  0.04166422  -0.03439940 119 ASN   A HA   
114  H  HB2  . ASN   A 7   ? 0.20542902 0.36008289 0.40227410 0.00196503  0.02899608  -0.03269275 119 ASN   A HB2  
115  H  HB3  . ASN   A 7   ? 0.21409133 0.36282849 0.40389273 -0.00389655 0.02509300  -0.02986990 119 ASN   A HB3  
116  H  HD21 . ASN   A 7   ? 0.25793573 0.44406620 0.49813175 0.02207869  -0.00130138 -0.03858753 119 ASN   A HD21 
117  H  HD22 . ASN   A 7   ? 0.26007074 0.44013208 0.49960184 0.02285307  -0.00133673 -0.03961655 119 ASN   A HD22 
118  N  N    . LEU   A 8   ? 0.03612626 0.27135777 0.35146174 0.00182092  0.00251803  -0.04941508 120 LEU   A N    
119  C  CA   . LEU   A 8   ? 0.08007552 0.28469032 0.36379516 0.01226278  -0.02751324 -0.04573499 120 LEU   A CA   
120  C  C    . LEU   A 8   ? 0.07809369 0.26943934 0.35225299 0.03811958  -0.01876830 -0.05011766 120 LEU   A C    
121  O  O    . LEU   A 8   ? 0.08554517 0.25256005 0.33666739 0.02449071  -0.02799770 -0.04964928 120 LEU   A O    
122  C  CB   . LEU   A 8   ? 0.11448718 0.30058435 0.36201513 0.00040291  -0.04726198 -0.04454251 120 LEU   A CB   
123  C  CG   . LEU   A 8   ? 0.15750669 0.29929060 0.36301824 -0.00246749 -0.05251472 -0.04572448 120 LEU   A CG   
124  C  CD1  . LEU   A 8   ? 0.17769822 0.32463488 0.37639049 0.01463344  -0.06905594 -0.03928735 120 LEU   A CD1  
125  C  CD2  . LEU   A 8   ? 0.21564160 0.28659010 0.34814957 -0.01203344 -0.05967803 -0.04000486 120 LEU   A CD2  
126  H  H    . LEU   A 8   ? 0.04603305 0.27684128 0.35587952 0.00935614  0.00690226  -0.04823394 120 LEU   A H    
127  H  HA   . LEU   A 8   ? 0.07917942 0.28285855 0.35977662 0.01328661  -0.02184385 -0.04706545 120 LEU   A HA   
128  H  HB2  . LEU   A 8   ? 0.11515123 0.29633987 0.36251229 0.00271074  -0.04353271 -0.04506163 120 LEU   A HB2  
129  H  HB3  . LEU   A 8   ? 0.11460066 0.29599741 0.36195809 0.00288419  -0.04333317 -0.04486946 120 LEU   A HB3  
130  H  HG   . LEU   A 8   ? 0.16223617 0.30021706 0.36154008 -0.00071097 -0.05570478 -0.04422766 120 LEU   A HG   
131  H  HD11 . LEU   A 8   ? 0.17132571 0.31699705 0.37579468 0.00965456  -0.06521603 -0.04095606 120 LEU   A HD11 
132  H  HD12 . LEU   A 8   ? 0.17133817 0.31828070 0.37362042 0.00941963  -0.06390025 -0.04136079 120 LEU   A HD12 
133  H  HD13 . LEU   A 8   ? 0.17162807 0.31978875 0.37476179 0.01047563  -0.06331097 -0.03898351 120 LEU   A HD13 
134  H  HD21 . LEU   A 8   ? 0.20849364 0.28980124 0.35331669 -0.00909175 -0.05473237 -0.04180805 120 LEU   A HD21 
135  H  HD22 . LEU   A 8   ? 0.20045982 0.28878674 0.35205895 -0.00920278 -0.05708742 -0.04259198 120 LEU   A HD22 
136  H  HD23 . LEU   A 8   ? 0.20036554 0.28845206 0.35284162 -0.00825349 -0.05707122 -0.04132850 120 LEU   A HD23 
137  N  N    . PRO   A 9   ? 0.08209962 0.28650594 0.37230426 0.04120822  0.00556441  -0.05117809 121 PRO   A N    
138  C  CA   . PRO   A 9   ? 0.13252765 0.29768527 0.35749343 0.05607457  -0.00001366 -0.06229164 121 PRO   A CA   
139  C  C    . PRO   A 9   ? 0.15268017 0.28755525 0.31610674 0.05742083  -0.00384651 -0.07233848 121 PRO   A C    
140  O  O    . PRO   A 9   ? 0.19277610 0.29166782 0.32106882 0.04754583  -0.04262958 -0.07023961 121 PRO   A O    
141  C  CB   . PRO   A 9   ? 0.14864090 0.31469333 0.38490856 0.06128716  0.01892391  -0.07261980 121 PRO   A CB   
142  C  CG   . PRO   A 9   ? 0.11127358 0.35589969 0.41763961 0.05197591  0.01028576  -0.06191067 121 PRO   A CG   
143  C  CD   . PRO   A 9   ? 0.08539885 0.33023894 0.40530407 0.03514358  0.00132378  -0.05761163 121 PRO   A CD   
144  H  HA   . PRO   A 9   ? 0.12802778 0.29539239 0.35538721 0.05444183  0.00281002  -0.06320225 121 PRO   A HA   
145  H  HB2  . PRO   A 9   ? 0.13711263 0.31963560 0.38455927 0.05782840  0.01273108  -0.06826504 121 PRO   A HB2  
146  H  HB3  . PRO   A 9   ? 0.13691805 0.31910425 0.38466209 0.05809220  0.01264964  -0.06782994 121 PRO   A HB3  
147  H  HG2  . PRO   A 9   ? 0.11263324 0.34022701 0.40756825 0.05051331  0.01026754  -0.06360328 121 PRO   A HG2  
148  H  HG3  . PRO   A 9   ? 0.11326502 0.34163010 0.40959176 0.05015420  0.01043838  -0.06524529 121 PRO   A HG3  
149  H  HD2  . PRO   A 9   ? 0.08995820 0.32419592 0.40026346 0.03988172  0.00512122  -0.05751140 121 PRO   A HD2  
150  H  HD3  . PRO   A 9   ? 0.08981684 0.32469064 0.39871702 0.04028150  0.00443109  -0.05666937 121 PRO   A HD3  
151  N  N    . LEU   A 10  ? 0.14367908 0.27397114 0.28448582 0.08247462  -0.02607924 -0.05108617 122 LEU   A N    
152  C  CA   . LEU   A 10  ? 0.14514203 0.28682911 0.26949072 0.07232733  -0.03160219 -0.04686416 122 LEU   A CA   
153  C  C    . LEU   A 10  ? 0.15484111 0.28642774 0.26927119 0.08299832  -0.03416421 -0.04478445 122 LEU   A C    
154  O  O    . LEU   A 10  ? 0.14143497 0.25016642 0.28526300 0.06516762  -0.03401907 -0.02975534 122 LEU   A O    
155  C  CB   . LEU   A 10  ? 0.14157949 0.27719599 0.27359772 0.06396682  -0.02580571 -0.03778109 122 LEU   A CB   
156  C  CG   . LEU   A 10  ? 0.13800678 0.28017032 0.27697182 0.04276753  -0.00109466 -0.03854277 122 LEU   A CG   
157  C  CD1  . LEU   A 10  ? 0.13318519 0.26912224 0.26942751 0.03730245  0.00174158  -0.03778065 122 LEU   A CD1  
158  C  CD2  . LEU   A 10  ? 0.15625632 0.29540050 0.28423104 0.03438909  -0.00322653 -0.03131773 122 LEU   A CD2  
159  H  H    . LEU   A 10  ? 0.14510733 0.27951646 0.28427452 0.07446634  -0.02344061 -0.05329762 122 LEU   A H    
160  H  HA   . LEU   A 10  ? 0.14741939 0.28315136 0.27277520 0.07471216  -0.03081498 -0.04507288 122 LEU   A HA   
161  H  HB2  . LEU   A 10  ? 0.14047921 0.27914131 0.27151221 0.06105099  -0.02264846 -0.03938317 122 LEU   A HB2  
162  H  HB3  . LEU   A 10  ? 0.14144477 0.28007001 0.27314419 0.06117310  -0.02179802 -0.03999736 122 LEU   A HB3  
163  H  HG   . LEU   A 10  ? 0.14064555 0.27942446 0.27589363 0.04396677  -0.00535361 -0.03667125 122 LEU   A HG   
164  H  HD11 . LEU   A 10  ? 0.13434298 0.27167892 0.27088052 0.03872624  0.00077968  -0.03783713 122 LEU   A HD11 
165  H  HD12 . LEU   A 10  ? 0.13440154 0.27086622 0.27105099 0.03863385  0.00091031  -0.03832365 122 LEU   A HD12 
166  H  HD13 . LEU   A 10  ? 0.13406661 0.27070209 0.27104068 0.03808791  0.00129976  -0.03730786 122 LEU   A HD13 
167  H  HD21 . LEU   A 10  ? 0.15571995 0.29143864 0.28225881 0.03629307  -0.00355982 -0.03344889 122 LEU   A HD21 
168  H  HD22 . LEU   A 10  ? 0.15180716 0.29148126 0.28225958 0.03688460  -0.00292708 -0.03338359 122 LEU   A HD22 
169  H  HD23 . LEU   A 10  ? 0.15167771 0.29336244 0.28282285 0.03650320  -0.00299513 -0.03204954 122 LEU   A HD23 
170  N  N    . PRO   A 11  ? 0.13477820 0.29096228 0.29551274 0.07736149  -0.03651078 -0.05034557 123 PRO   A N    
171  C  CA   . PRO   A 11  ? 0.12082307 0.27837330 0.28493479 0.08444454  -0.02691403 -0.04878376 123 PRO   A CA   
172  C  C    . PRO   A 11  ? 0.15840015 0.26884782 0.27219909 0.09565506  0.01981227  -0.02066042 123 PRO   A C    
173  O  O    . PRO   A 11  ? 0.26372755 0.39395621 0.20906961 0.12814933  0.00563415  -0.03418024 123 PRO   A O    
174  C  CB   . PRO   A 11  ? 0.12479846 0.28675258 0.30907172 0.08779783  -0.03292131 -0.04716692 123 PRO   A CB   
175  C  CG   . PRO   A 11  ? 0.15697263 0.29011357 0.31774366 0.06427222  -0.02862151 -0.04709572 123 PRO   A CG   
176  C  CD   . PRO   A 11  ? 0.15226319 0.29635626 0.30951130 0.07686622  -0.04825909 -0.05724690 123 PRO   A CD   
177  H  HA   . PRO   A 11  ? 0.13029550 0.28045088 0.28927660 0.08549561  -0.02080643 -0.04330976 123 PRO   A HA   
178  H  HB2  . PRO   A 11  ? 0.13132280 0.28621918 0.30505532 0.08223017  -0.03024931 -0.04750649 123 PRO   A HB2  
179  H  HB3  . PRO   A 11  ? 0.13118035 0.28562781 0.30644974 0.08194085  -0.03119716 -0.04740599 123 PRO   A HB3  
180  H  HG2  . PRO   A 11  ? 0.15340672 0.29230410 0.31658950 0.06941012  -0.02998358 -0.05145471 123 PRO   A HG2  
181  H  HG3  . PRO   A 11  ? 0.14887279 0.28965047 0.31353509 0.07123627  -0.03263508 -0.04867957 123 PRO   A HG3  
182  H  HD2  . PRO   A 11  ? 0.15080869 0.29505271 0.31008458 0.07443459  -0.04102037 -0.05419233 123 PRO   A HD2  
183  H  HD3  . PRO   A 11  ? 0.14961964 0.29426658 0.30791044 0.07418570  -0.04060464 -0.05338421 123 PRO   A HD3  
184  N  N    . GLY   A 12  ? 0.12957789 0.22136116 0.29090238 0.03978924  0.02695217  -0.00605506 124 GLY   A N    
185  C  CA   . GLY   A 12  ? 0.14479291 0.23177008 0.32184654 0.03227168  0.04483829  0.00162440  124 GLY   A CA   
186  C  C    . GLY   A 12  ? 0.15245594 0.24761763 0.34437552 0.04579579  0.05334487  0.03259386  124 GLY   A C    
187  O  O    . GLY   A 12  ? 0.12521963 0.24486157 0.43993035 0.06101032  0.05727843  0.07043558  124 GLY   A O    
188  H  H    . GLY   A 12  ? 0.13845816 0.23309524 0.29013073 0.05106948  0.02908482  -0.00637746 124 GLY   A H    
189  H  HA2  . GLY   A 12  ? 0.14211461 0.23247407 0.31832412 0.03700402  0.04242437  0.00599987  124 GLY   A HA2  
190  H  HA3  . GLY   A 12  ? 0.14292072 0.23560832 0.31758207 0.03644763  0.04249571  0.00419142  124 GLY   A HA3  
191  N  N    . GLY   A 13  ? 0.12665172 0.24804990 0.31363162 0.05935533  0.05992398  0.02321981  125 GLY   A N    
192  C  CA   . GLY   A 13  ? 0.11180638 0.25851297 0.30436942 0.05905715  0.04551759  0.02947987  125 GLY   A CA   
193  C  C    . GLY   A 13  ? 0.12584502 0.26048133 0.30285332 0.04595287  0.02369248  0.01873685  125 GLY   A C    
194  O  O    . GLY   A 13  ? 0.12278318 0.34951013 0.33204132 0.06474427  0.02239282  0.02524523  125 GLY   A O    
195  H  H    . GLY   A 13  ? 0.12873040 0.25005516 0.31740627 0.05606729  0.05462698  0.02608491  125 GLY   A H    
196  H  HA2  . GLY   A 13  ? 0.11867867 0.25703043 0.30580664 0.05595891  0.04368031  0.02512692  125 GLY   A HA2  
197  H  HA3  . GLY   A 13  ? 0.11888821 0.25584108 0.30676010 0.05505036  0.04410740  0.02520512  125 GLY   A HA3  
198  N  N    . VAL   A 14  ? 0.11706065 0.22404337 0.28182128 0.02548664  0.02002091  0.01858711  126 VAL   A N    
199  C  CA   . VAL   A 14  ? 0.11836941 0.21057111 0.26781508 0.01312870  0.00965384  0.01362839  126 VAL   A CA   
200  C  C    . VAL   A 14  ? 0.14408296 0.21452489 0.26927769 0.00585887  0.00921028  0.01366092  126 VAL   A C    
201  O  O    . VAL   A 14  ? 0.17945899 0.22996165 0.27885798 0.01715251  -0.00586114 -0.00225909 126 VAL   A O    
202  C  CB   . VAL   A 14  ? 0.13198879 0.20226732 0.27399999 0.00508711  0.01175469  0.01360833  126 VAL   A CB   
203  C  CG1  . VAL   A 14  ? 0.12489653 0.19859092 0.26905113 0.00519089  0.01647455  0.00853779  126 VAL   A CG1  
204  C  CG2  . VAL   A 14  ? 0.12323306 0.20415771 0.28332150 0.01686084  0.02251012  0.01967178  126 VAL   A CG2  
205  H  H    . VAL   A 14  ? 0.11907853 0.22751623 0.28248563 0.02727276  0.01869781  0.01762003  126 VAL   A H    
206  H  HA   . VAL   A 14  ? 0.12114535 0.21346690 0.27095452 0.01337176  0.00972134  0.01496922  126 VAL   A HA   
207  H  HB   . VAL   A 14  ? 0.12688093 0.20359994 0.27374983 0.00870347  0.01423705  0.01353107  126 VAL   A HB   
208  H  HG11 . VAL   A 14  ? 0.12669151 0.19950892 0.26988751 0.00543725  0.01527286  0.01004648  126 VAL   A HG11 
209  H  HG12 . VAL   A 14  ? 0.12649788 0.19943000 0.27021140 0.00539437  0.01506836  0.00994708  126 VAL   A HG12 
210  H  HG13 . VAL   A 14  ? 0.12641159 0.19866726 0.27009162 0.00589952  0.01547542  0.00954407  126 VAL   A HG13 
211  H  HG21 . VAL   A 14  ? 0.12583783 0.20301078 0.28043717 0.01373191  0.01945798  0.01733843  126 VAL   A HG21 
212  H  HG22 . VAL   A 14  ? 0.12620361 0.20402351 0.28050834 0.01358244  0.01937797  0.01716875  126 VAL   A HG22 
213  H  HG23 . VAL   A 14  ? 0.12589741 0.20377170 0.28142864 0.01362624  0.01933281  0.01756170  126 VAL   A HG23 
214  N  N    . VAL   A 15  ? 0.14581992 0.21680434 0.27136937 -0.01310095 0.01028056  0.01819052  127 VAL   A N    
215  C  CA   . VAL   A 15  ? 0.15500504 0.20415726 0.27157816 -0.00376633 0.01421200  0.01723843  127 VAL   A CA   
216  C  C    . VAL   A 15  ? 0.18263276 0.19265962 0.27439335 -0.01102357 0.01861998  0.00262938  127 VAL   A C    
217  O  O    . VAL   A 15  ? 0.14390326 0.19900376 0.27220595 0.00000674  0.03097431  -0.01282499 127 VAL   A O    
218  C  CB   . VAL   A 15  ? 0.17665106 0.23873664 0.29494008 0.01968589  0.01428538  0.01643438  127 VAL   A CB   
219  C  CG1  . VAL   A 15  ? 0.17498097 0.22224018 0.28849211 0.02925414  0.00868145  0.01499266  127 VAL   A CG1  
220  C  CG2  . VAL   A 15  ? 0.18932700 0.25895274 0.31295276 0.01502603  0.01614526  0.02001781  127 VAL   A CG2  
221  H  H    . VAL   A 15  ? 0.14691727 0.21290955 0.27057630 -0.00616229 0.01076018  0.01641333  127 VAL   A H    
222  H  HA   . VAL   A 15  ? 0.15980203 0.21001182 0.27453333 -0.00353297 0.01288174  0.01405513  127 VAL   A HA   
223  H  HB   . VAL   A 15  ? 0.17359273 0.23095986 0.29267928 0.01594133  0.01300430  0.01692432  127 VAL   A HB   
224  H  HG11 . VAL   A 15  ? 0.17485115 0.22591837 0.28996015 0.02648160  0.01060281  0.01510039  127 VAL   A HG11 
225  H  HG12 . VAL   A 15  ? 0.17477141 0.22594292 0.29009405 0.02646608  0.01047192  0.01534300  127 VAL   A HG12 
226  H  HG13 . VAL   A 15  ? 0.17377089 0.22469462 0.29013747 0.02813708  0.01073002  0.01496807  127 VAL   A HG13 
227  H  HG21 . VAL   A 15  ? 0.18784283 0.25453672 0.30799341 0.01425052  0.01529656  0.01925335  127 VAL   A HG21 
228  H  HG22 . VAL   A 15  ? 0.18734075 0.25290811 0.30895039 0.01612691  0.01669790  0.01913965  127 VAL   A HG22 
229  H  HG23 . VAL   A 15  ? 0.18628970 0.25241980 0.30936527 0.01550501  0.01486226  0.01850801  127 VAL   A HG23 
230  N  N    . PRO   A 16  ? 0.15640920 0.21109815 0.27778381 -0.02069585 0.00850066  -0.00235681 128 PRO   A N    
231  C  CA   . PRO   A 16  ? 0.16451821 0.22389551 0.28869107 -0.02182712 0.01425883  -0.00045125 128 PRO   A CA   
232  C  C    . PRO   A 16  ? 0.17057660 0.22507547 0.28530958 -0.01401891 0.02066736  0.01325811  128 PRO   A C    
233  O  O    . PRO   A 16  ? 0.16788989 0.23981038 0.27805063 -0.00017162 0.02324997  0.01369197  128 PRO   A O    
234  C  CB   . PRO   A 16  ? 0.18643244 0.24198988 0.29603314 -0.03280476 0.03043292  -0.00590906 128 PRO   A CB   
235  C  CG   . PRO   A 16  ? 0.17363618 0.25368243 0.29615405 -0.02572813 0.02616011  -0.00462243 128 PRO   A CG   
236  C  CD   . PRO   A 16  ? 0.16368300 0.23924492 0.28476796 -0.02699906 0.01629659  -0.00770878 128 PRO   A CD   
237  H  HA   . PRO   A 16  ? 0.16679308 0.22401676 0.28679684 -0.02152191 0.01707960  0.00078294  128 PRO   A HA   
238  H  HB2  . PRO   A 16  ? 0.17856149 0.24283212 0.29446030 -0.02932492 0.02579945  -0.00479374 128 PRO   A HB2  
239  H  HB3  . PRO   A 16  ? 0.17865908 0.24076417 0.29465741 -0.02888485 0.02541492  -0.00423538 128 PRO   A HB3  
240  H  HG2  . PRO   A 16  ? 0.17554034 0.25010252 0.29347220 -0.02590512 0.02530418  -0.00502047 128 PRO   A HG2  
241  H  HG3  . PRO   A 16  ? 0.17483814 0.24880674 0.29320669 -0.02792337 0.02494622  -0.00554954 128 PRO   A HG3  
242  H  HD2  . PRO   A 16  ? 0.16423264 0.23706873 0.28565535 -0.02539337 0.01635116  -0.00512712 128 PRO   A HD2  
243  H  HD3  . PRO   A 16  ? 0.16385755 0.23523246 0.28612599 -0.02504291 0.01661119  -0.00585598 128 PRO   A HD3  
244  N  N    . ARG   A 17  ? 0.13436806 0.24340084 0.27643105 -0.00577041 0.02313604  0.00892234  129 ARG   A N    
245  C  CA   . ARG   A 17  ? 0.15313378 0.25489587 0.27244607 -0.02446081 0.01842533  0.01907543  129 ARG   A CA   
246  C  C    . ARG   A 17  ? 0.13359942 0.24785964 0.27681619 -0.01151266 0.01559588  0.01924580  129 ARG   A C    
247  O  O    . ARG   A 17  ? 0.13950135 0.27412423 0.29630539 -0.02410879 0.00385190  0.03339093  129 ARG   A O    
248  C  CB   . ARG   A 17  ? 0.17319712 0.27155510 0.26951033 -0.01174610 0.02754241  0.02792999  129 ARG   A CB   
249  C  CG   . ARG   A 17  ? 0.21031906 0.30484468 0.31498891 -0.03200674 0.03900783  0.03703894  129 ARG   A CG   
250  C  CD   . ARG   A 17  ? 0.28610802 0.34003815 0.34613556 -0.01798613 0.03663527  0.05857882  129 ARG   A CD   
251  N  NE   . ARG   A 17  ? 0.36438757 0.40264666 0.40767244 0.01359489  0.03753437  0.05396256  129 ARG   A NE   
252  C  CZ   . ARG   A 17  ? 0.43135610 0.50010824 0.47581488 0.07209782  0.03832474  0.02172160  129 ARG   A CZ   
253  N  NH1  . ARG   A 17  ? 0.48525810 0.56808686 0.49486145 0.08291548  0.03305497  0.02367139  129 ARG   A NH1  
254  N  NH2  . ARG   A 17  ? 0.45784581 0.52494872 0.50444895 0.09461631  0.06045938  0.00442278  129 ARG   A NH2  
255  H  H    . ARG   A 17  ? 0.14263532 0.23758492 0.27765527 -0.00774407 0.02219222  0.01135607  129 ARG   A H    
256  H  HA   . ARG   A 17  ? 0.14967126 0.25462708 0.27535111 -0.01643127 0.01975260  0.01952940  129 ARG   A HA   
257  H  HB2  . ARG   A 17  ? 0.17367421 0.27162740 0.27559561 -0.01788204 0.02851145  0.02584203  129 ARG   A HB2  
258  H  HB3  . ARG   A 17  ? 0.17313468 0.27309924 0.27694133 -0.01863267 0.02631568  0.02739634  129 ARG   A HB3  
259  H  HG2  . ARG   A 17  ? 0.21222308 0.30148938 0.30831125 -0.02439292 0.03481386  0.04000100  129 ARG   A HG2  
260  H  HG3  . ARG   A 17  ? 0.21376869 0.30157816 0.30889964 -0.02352047 0.03663439  0.03938846  129 ARG   A HG3  
261  H  HD2  . ARG   A 17  ? 0.27832922 0.34136087 0.34854782 -0.01405268 0.03838930  0.05163687  129 ARG   A HD2  
262  H  HD3  . ARG   A 17  ? 0.27744430 0.34026083 0.34743834 -0.01459558 0.03695378  0.05162366  129 ARG   A HD3  
263  H  HE   . ARG   A 17  ? 0.34956962 0.39758277 0.40238661 0.01622258  0.04064055  0.04822782  129 ARG   A HE   
264  H  HH11 . ARG   A 17  ? 0.47149932 0.54924703 0.48893708 0.07244460  0.03494767  0.02426130  129 ARG   A HH11 
265  H  HH12 . ARG   A 17  ? 0.46102524 0.54044414 0.48967618 0.07424903  0.03381950  0.02873279  129 ARG   A HH12 
266  H  HH21 . ARG   A 17  ? 0.45002016 0.51701725 0.49609989 0.08651505  0.05419543  0.01009214  129 ARG   A HH21 
267  H  HH22 . ARG   A 17  ? 0.45003873 0.51424229 0.50008345 0.08499095  0.05786563  0.00954483  129 ARG   A HH22 
268  N  N    . MET   A 18  ? 0.10206192 0.22495688 0.27278906 -0.01900950 0.01535815  0.01346843  130 MET   A N    
269  C  CA   . MET   A 18  ? 0.12054931 0.22661108 0.29577202 -0.01737449 0.01483560  0.00665886  130 MET   A CA   
270  C  C    . MET   A 18  ? 0.13336432 0.22168343 0.29916814 0.00440431  -0.00552027 -0.00234216 130 MET   A C    
271  O  O    . MET   A 18  ? 0.11758713 0.22060406 0.32400590 -0.00031894 0.01329050  0.00033587  130 MET   A O    
272  C  CB   . MET   A 18  ? 0.13016433 0.26657611 0.29824203 -0.01097419 0.00911704  0.02360693  130 MET   A CB   
273  C  CG   . MET   A 18  ? 0.12667222 0.30506837 0.30232048 -0.00799219 0.00308138  0.03894013  130 MET   A CG   
274  S  SD   . MET   A 18  ? 0.13867286 0.43176156 0.30912825 -0.01696343 -0.00194540 0.03441903  130 MET   A SD   
275  C  CE   . MET   A 18  ? 0.14432107 0.42513391 0.32720667 -0.00258670 0.03296722  0.00552453  130 MET   A CE   
276  H  H    . MET   A 18  ? 0.11049773 0.23051731 0.27601695 -0.01724839 0.01258483  0.01300390  130 MET   A H    
277  H  HA   . MET   A 18  ? 0.12406697 0.23274483 0.29327342 -0.01334321 0.01102017  0.00852873  130 MET   A HA   
278  H  HB2  . MET   A 18  ? 0.12720798 0.26501760 0.29865006 -0.01190172 0.00933021  0.02313045  130 MET   A HB2  
279  H  HB3  . MET   A 18  ? 0.12782428 0.26397938 0.29868859 -0.01228521 0.00944613  0.02245209  130 MET   A HB3  
280  H  HG2  . MET   A 18  ? 0.12890404 0.31058195 0.30203050 -0.00955461 0.00365414  0.03382802  130 MET   A HG2  
281  H  HG3  . MET   A 18  ? 0.12620939 0.31163657 0.30167127 -0.00840883 0.00250167  0.03494662  130 MET   A HG3  
282  H  HE1  . MET   A 18  ? 0.14584900 0.42619339 0.32522550 -0.00585880 0.02378117  0.01212031  130 MET   A HE1  
283  H  HE2  . MET   A 18  ? 0.14413001 0.42463478 0.32297266 -0.00627373 0.02403590  0.01142186  130 MET   A HE2  
284  H  HE3  . MET   A 18  ? 0.14623615 0.42632988 0.32450169 -0.00691952 0.02408568  0.01085882  130 MET   A HE3  
285  N  N    . LEU   A 19  ? 0.13810958 0.20973766 0.30300319 0.00606179  -0.01817862 -0.01313093 131 LEU   A N    
286  C  CA   . LEU   A 19  ? 0.11248965 0.21931906 0.30607411 0.01066393  -0.00369544 -0.01747552 131 LEU   A CA   
287  C  C    . LEU   A 19  ? 0.08607714 0.22448641 0.31583741 0.01936889  0.00702168  -0.01560409 131 LEU   A C    
288  O  O    . LEU   A 19  ? 0.09325747 0.23089543 0.38192916 0.02896787  -0.00664368 -0.00975185 131 LEU   A O    
289  C  CB   . LEU   A 19  ? 0.13717408 0.24230491 0.30903670 0.01615183  0.00651776  -0.02028113 131 LEU   A CB   
290  C  CG   . LEU   A 19  ? 0.22331126 0.26985133 0.31513244 0.01707158  0.00909024  -0.02716781 131 LEU   A CG   
291  C  CD1  . LEU   A 19  ? 0.24600957 0.26701871 0.32619324 0.01974523  0.01628679  -0.01641819 131 LEU   A CD1  
292  C  CD2  . LEU   A 19  ? 0.26798105 0.29260814 0.32793775 0.02708952  0.00527086  -0.02581701 131 LEU   A CD2  
293  H  H    . LEU   A 19  ? 0.13294362 0.21572666 0.30272099 0.00518612  -0.01135543 -0.01129897 131 LEU   A H    
294  H  HA   . LEU   A 19  ? 0.11500711 0.22194634 0.30772766 0.01323161  -0.00247831 -0.01663745 131 LEU   A HA   
295  H  HB2  . LEU   A 19  ? 0.14363638 0.23975077 0.30914700 0.01433541  0.00490666  -0.02045486 131 LEU   A HB2  
296  H  HB3  . LEU   A 19  ? 0.14156593 0.23949933 0.30927247 0.01696236  0.00431807  -0.02066064 131 LEU   A HB3  
297  H  HG   . LEU   A 19  ? 0.21440414 0.26755831 0.31786096 0.02064075  0.00850351  -0.02411287 131 LEU   A HG   
298  H  HD11 . LEU   A 19  ? 0.23648128 0.26763690 0.32331195 0.01897432  0.01384798  -0.01966886 131 LEU   A HD11 
299  H  HD12 . LEU   A 19  ? 0.23749983 0.26921758 0.32386982 0.01907005  0.01374854  -0.01842623 131 LEU   A HD12 
300  H  HD13 . LEU   A 19  ? 0.23900422 0.26882359 0.32310635 0.01976438  0.01372655  -0.01967340 131 LEU   A HD13 
301  H  HD21 . LEU   A 19  ? 0.25981468 0.28764129 0.32426426 0.02202766  0.00594452  -0.02600692 131 LEU   A HD21 
302  H  HD22 . LEU   A 19  ? 0.25767833 0.28920197 0.32484433 0.02657823  0.00493256  -0.02731268 131 LEU   A HD22 
303  H  HD23 . LEU   A 19  ? 0.25527397 0.28846714 0.32540378 0.02414532  0.00615866  -0.02465366 131 LEU   A HD23 
304  N  N    . ILE   A 20  ? 0.08547021 0.21907046 0.30315983 -0.00000744 0.01794125  -0.02129334 132 ILE   A N    
305  C  CA   . ILE   A 20  ? 0.08288796 0.23091048 0.30821091 -0.00513429 0.02443394  -0.02879401 132 ILE   A CA   
306  C  C    . ILE   A 20  ? 0.08069260 0.22554624 0.29408747 0.00105252  0.02364755  -0.03099472 132 ILE   A C    
307  O  O    . ILE   A 20  ? 0.10797657 0.25736493 0.31237036 0.02701260  0.02937648  -0.05440984 132 ILE   A O    
308  C  CB   . ILE   A 20  ? 0.11438912 0.27077055 0.32416889 -0.00496942 0.01363389  -0.02656143 132 ILE   A CB   
309  C  CG1  . ILE   A 20  ? 0.18229650 0.29404286 0.35093665 0.00808845  0.00413347  -0.03536174 132 ILE   A CG1  
310  C  CG2  . ILE   A 20  ? 0.10186821 0.29022801 0.31976497 -0.03252973 -0.02546815 -0.02261588 132 ILE   A CG2  
311  C  CD1  . ILE   A 20  ? 0.23081294 0.32298195 0.34928858 0.03218208  -0.01447476 -0.03968981 132 ILE   A CD1  
312  H  H    . ILE   A 20  ? 0.08627991 0.22296759 0.30715334 0.00339955  0.01656609  -0.02156404 132 ILE   A H    
313  H  HA   . ILE   A 20  ? 0.08519234 0.23291114 0.30737913 -0.00151871 0.02148854  -0.02735646 132 ILE   A HA   
314  H  HB   . ILE   A 20  ? 0.11240511 0.26898998 0.32364064 -0.00681896 0.00759092  -0.02783660 132 ILE   A HB   
315  H  HG12 . ILE   A 20  ? 0.17520417 0.29317456 0.34480762 0.00956946  0.00021326  -0.03405424 132 ILE   A HG12 
316  H  HG13 . ILE   A 20  ? 0.17156366 0.29364988 0.34345022 0.00952402  0.00265439  -0.03480383 132 ILE   A HG13 
317  H  HG21 . ILE   A 20  ? 0.10546350 0.28514093 0.31850028 -0.02427228 -0.01495956 -0.02254420 132 ILE   A HG21 
318  H  HG22 . ILE   A 20  ? 0.10797317 0.28558528 0.32059601 -0.02523962 -0.01437892 -0.02315369 132 ILE   A HG22 
319  H  HG23 . ILE   A 20  ? 0.10549940 0.28626287 0.32126588 -0.02440548 -0.01397921 -0.02223486 132 ILE   A HG23 
320  H  HD11 . ILE   A 20  ? 0.22165118 0.31438607 0.35331181 0.02513299  -0.01319749 -0.03856662 132 ILE   A HD11 
321  H  HD12 . ILE   A 20  ? 0.21625318 0.31542358 0.35144126 0.02475785  -0.00952141 -0.03749028 132 ILE   A HD12 
322  H  HD13 . ILE   A 20  ? 0.21514122 0.31616041 0.35043401 0.02498860  -0.00902536 -0.03926739 132 ILE   A HD13 
323  N  N    . THR   A 21  ? 0.08514974 0.22814384 0.30445817 -0.01256751 0.02284679  -0.03037526 133 THR   A N    
324  C  CA   . THR   A 21  ? 0.10119284 0.22859061 0.29455847 -0.00696972 0.02922267  -0.02495037 133 THR   A CA   
325  C  C    . THR   A 21  ? 0.09216712 0.21902515 0.30644196 -0.00414622 0.03702170  -0.02659530 133 THR   A C    
326  O  O    . THR   A 21  ? 0.10752172 0.23189853 0.33015004 0.00097557  0.05112379  -0.03045708 133 THR   A O    
327  C  CB   . THR   A 21  ? 0.09054099 0.25764769 0.30865848 -0.01018556 0.01070016  -0.02620611 133 THR   A CB   
328  O  OG1  . THR   A 21  ? 0.13919394 0.24713913 0.32852623 -0.00045135 0.01773380  -0.01422416 133 THR   A OG1  
329  C  CG2  . THR   A 21  ? 0.11305910 0.27089921 0.31531173 -0.00158966 0.00025169  -0.02497904 133 THR   A CG2  
330  H  H    . THR   A 21  ? 0.08911168 0.22823843 0.30044958 -0.00883240 0.02353829  -0.02874936 133 THR   A H    
331  H  HA   . THR   A 21  ? 0.09541217 0.23179278 0.30127662 -0.00845107 0.02577488  -0.02628808 133 THR   A HA   
332  H  HB   . THR   A 21  ? 0.10060754 0.25189567 0.30979827 -0.00450233 0.01537331  -0.02407733 133 THR   A HB   
333  H  HG1  . THR   A 21  ? 0.24776827 0.24776827 0.24776827 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
334  H  HG21 . THR   A 21  ? 0.10709534 0.26735732 0.31331131 -0.00411453 0.00297222  -0.02543694 133 THR   A HG21 
335  H  HG22 . THR   A 21  ? 0.10979855 0.26773918 0.31344631 -0.00544690 0.00209411  -0.02492779 133 THR   A HG22 
336  H  HG23 . THR   A 21  ? 0.10829575 0.26911709 0.31387341 -0.00256586 0.00235479  -0.02649646 133 THR   A HG23 
337  N  N    A ILE   A 22  ? 0.06771494 0.21265149 0.29671967 -0.00577446 0.03972511  -0.02280176 134 ILE   A N    
338  N  N    B ILE   A 22  ? 0.06545945 0.21854307 0.29377514 -0.00395190 0.04022335  -0.02443178 134 ILE   A N    
339  C  CA   A ILE   A 22  ? 0.05473635 0.21584028 0.28524974 -0.00497853 0.03762546  -0.02185332 134 ILE   A CA   
340  C  CA   B ILE   A 22  ? 0.05239362 0.22581103 0.28374112 -0.00341817 0.03874707  -0.02351825 134 ILE   A CA   
341  C  C    A ILE   A 22  ? 0.06145091 0.22371964 0.27823913 -0.00810097 0.03045602  -0.01622352 134 ILE   A C    
342  C  C    B ILE   A 22  ? 0.06018057 0.22910088 0.27534756 -0.00619895 0.03078797  -0.01697474 134 ILE   A C    
343  O  O    A ILE   A 22  ? 0.08699931 0.23744716 0.29819772 0.00384344  0.04094646  -0.02595808 134 ILE   A O    
344  O  O    B ILE   A 22  ? 0.08909489 0.24171324 0.28638244 0.00663139  0.04127871  -0.02521490 134 ILE   A O    
345  C  CB   A ILE   A 22  ? 0.07965238 0.22417329 0.28868303 -0.01117183 0.02910848  -0.01905874 134 ILE   A CB   
346  C  CB   B ILE   A 22  ? 0.07621940 0.24691264 0.29005095 -0.00777525 0.02860396  -0.02199256 134 ILE   A CB   
347  C  CG1  A ILE   A 22  ? 0.10827129 0.24366841 0.29448292 -0.01316341 0.02789669  -0.02197162 134 ILE   A CG1  
348  C  CG1  B ILE   A 22  ? 0.08144097 0.26142889 0.30494806 -0.01357119 0.01921547  -0.02586715 134 ILE   A CG1  
349  C  CG2  A ILE   A 22  ? 0.08095219 0.21496299 0.28922534 -0.00524655 0.01371378  -0.01557809 134 ILE   A CG2  
350  C  CG2  B ILE   A 22  ? 0.08866053 0.24667211 0.28873584 0.00013167  0.02813219  -0.01615342 134 ILE   A CG2  
351  C  CD1  A ILE   A 22  ? 0.12303627 0.26232326 0.29714134 -0.00023000 0.02723361  -0.02324443 134 ILE   A CD1  
352  C  CD1  B ILE   A 22  ? 0.07378554 0.28092164 0.31997076 -0.00902436 0.00333433  -0.02523865 134 ILE   A CD1  
353  H  H    A ILE   A 22  ? 0.06799908 0.21507828 0.29569206 -0.00517514 0.03942430  -0.02343544 134 ILE   A H    
354  H  H    B ILE   A 22  ? 0.06622279 0.22058244 0.29342446 -0.00384081 0.04030241  -0.02472593 134 ILE   A H    
355  H  HA   A ILE   A 22  ? 0.05679759 0.21819270 0.28504050 -0.00534405 0.03846922  -0.02119742 134 ILE   A HA   
356  H  HA   B ILE   A 22  ? 0.05442558 0.22835180 0.28333715 -0.00339392 0.03928014  -0.02287839 134 ILE   A HA   
357  H  HB   A ILE   A 22  ? 0.07955740 0.22388950 0.28907722 -0.00911102 0.02771390  -0.01942076 134 ILE   A HB   
358  H  HB   B ILE   A 22  ? 0.07532237 0.24503240 0.29118109 -0.00655639 0.02816732  -0.02169912 134 ILE   A HB   
359  H  HG12 A ILE   A 22  ? 0.10398489 0.24245369 0.29370981 -0.01000960 0.02827384  -0.02157419 134 ILE   A HG12 
360  H  HG12 B ILE   A 22  ? 0.07883924 0.26251963 0.30488101 -0.01128364 0.01806067  -0.02480233 134 ILE   A HG12 
361  H  HG13 A ILE   A 22  ? 0.10455143 0.24303368 0.29434946 -0.01052125 0.02884289  -0.02217808 134 ILE   A HG13 
362  H  HG13 B ILE   A 22  ? 0.07958803 0.26334602 0.30475071 -0.01210295 0.01803504  -0.02467719 134 ILE   A HG13 
363  H  HG21 A ILE   A 22  ? 0.07997286 0.21684223 0.28802556 -0.00622740 0.01686426  -0.01561789 134 ILE   A HG21 
364  H  HG21 B ILE   A 22  ? 0.08505277 0.24674170 0.28918096 -0.00212968 0.02787747  -0.01764536 134 ILE   A HG21 
365  H  HG22 A ILE   A 22  ? 0.08204328 0.21755917 0.28932834 -0.00732509 0.01692786  -0.01606917 134 ILE   A HG22 
366  H  HG22 B ILE   A 22  ? 0.08655439 0.24682346 0.28969160 -0.00239362 0.02733436  -0.01765696 134 ILE   A HG22 
367  H  HG23 A ILE   A 22  ? 0.08071284 0.21726915 0.28864789 -0.00694636 0.01760178  -0.01650872 134 ILE   A HG23 
368  H  HG23 B ILE   A 22  ? 0.08521911 0.24702173 0.28971314 -0.00218903 0.02808448  -0.01745208 134 ILE   A HG23 
369  H  HD11 A ILE   A 22  ? 0.12070410 0.25884852 0.29806173 -0.00160820 0.02620583  -0.02366900 134 ILE   A HD11 
370  H  HD11 B ILE   A 22  ? 0.07634379 0.27597693 0.31739110 -0.01017461 0.00814254  -0.02613465 134 ILE   A HD11 
371  H  HD12 A ILE   A 22  ? 0.11918574 0.25741264 0.29783598 -0.00322723 0.02778482  -0.02236574 134 ILE   A HD12 
372  H  HD12 B ILE   A 22  ? 0.07646532 0.27599150 0.31714699 -0.01021698 0.00836793  -0.02462009 134 ILE   A HD12 
373  H  HD13 A ILE   A 22  ? 0.11894997 0.25696674 0.29735610 -0.00367537 0.02764954  -0.02316000 134 ILE   A HD13 
374  H  HD13 B ILE   A 22  ? 0.07642857 0.27555400 0.31616896 -0.01037767 0.00829653  -0.02533431 134 ILE   A HD13 
375  N  N    . LEU   A 23  ? 0.05394931 0.23872158 0.26868880 0.00025266  0.02985319  -0.01795044 135 LEU   A N    
376  C  CA   . LEU   A 23  ? 0.06797908 0.23026595 0.26688877 0.00509349  0.02121803  -0.01168754 135 LEU   A CA   
377  C  C    . LEU   A 23  ? 0.08590280 0.22509921 0.25858834 -0.00521812 0.01345457  -0.01518721 135 LEU   A C    
378  O  O    . LEU   A 23  ? 0.08903427 0.23792851 0.26242164 -0.01002242 0.02797994  -0.01073948 135 LEU   A O    
379  C  CB   . LEU   A 23  ? 0.05591801 0.26439270 0.28810897 0.03032467  0.02067522  -0.00696517 135 LEU   A CB   
380  C  CG   . LEU   A 23  ? 0.12512402 0.30736202 0.30286548 0.02209260  -0.00899762 0.00641014  135 LEU   A CG   
381  C  CD1  . LEU   A 23  ? 0.18126568 0.32042405 0.30516624 0.06702009  0.00776954  0.01254896  135 LEU   A CD1  
382  C  CD2  . LEU   A 23  ? 0.12028480 0.32560384 0.32325104 0.04190444  0.00091579  0.02710123  135 LEU   A CD2  
383  H  H    . LEU   A 23  ? 0.05711530 0.23172750 0.27029592 -0.00079128 0.03060105  -0.01726958 135 LEU   A H    
384  H  HA   . LEU   A 23  ? 0.06775612 0.23658094 0.26932356 0.00642632  0.02155784  -0.01282079 135 LEU   A HA   
385  H  HB2  . LEU   A 23  ? 0.06602951 0.26228246 0.28032920 0.02423740  0.02061279  -0.00689372 135 LEU   A HB2  
386  H  HB3  . LEU   A 23  ? 0.07126909 0.26371345 0.28502986 0.02336333  0.01662599  -0.00458512 135 LEU   A HB3  
387  H  HG   . LEU   A 23  ? 0.11323674 0.29874438 0.30050468 0.03294707  0.00062468  0.00599122  135 LEU   A HG   
388  H  HD11 . LEU   A 23  ? 0.16174780 0.31676361 0.30476397 0.05368271  0.00375727  0.01090230  135 LEU   A HD11 
389  H  HD12 . LEU   A 23  ? 0.16230540 0.31902105 0.30612376 0.05449501  0.00298407  0.00993729  135 LEU   A HD12 
390  H  HD13 . LEU   A 23  ? 0.16455755 0.32008857 0.30800569 0.05662144  0.00600657  0.01402625  135 LEU   A HD13 
391  H  HD21 . LEU   A 23  ? 0.11852224 0.31719261 0.31517461 0.03601421  -0.00190798 0.02066094  135 LEU   A HD21 
392  H  HD22 . LEU   A 23  ? 0.12230106 0.32169747 0.31828377 0.03816491  0.00011635  0.02325414  135 LEU   A HD22 
393  H  HD23 . LEU   A 23  ? 0.12134149 0.32014164 0.31681705 0.03650400  -0.00175543 0.02075484  135 LEU   A HD23 
394  N  N    . GLY   A 24  ? 0.10264859 0.22764164 0.25602564 -0.01459921 0.02051678  -0.02485638 136 GLY   A N    
395  C  CA   . GLY   A 24  ? 0.12830813 0.22656545 0.26613992 -0.02258739 0.03254042  -0.01490039 136 GLY   A CA   
396  C  C    . GLY   A 24  ? 0.16338925 0.23086846 0.26590845 -0.02931832 0.03731726  -0.01433722 136 GLY   A C    
397  O  O    . GLY   A 24  ? 0.23152697 0.25075272 0.27186882 -0.02991561 0.06015293  -0.01356223 136 GLY   A O    
398  H  H    . GLY   A 24  ? 0.10325925 0.22692177 0.25866792 -0.01375739 0.02164453  -0.02012870 136 GLY   A H    
399  H  HA2  . GLY   A 24  ? 0.12798996 0.22808033 0.26365402 -0.02176880 0.03034818  -0.01712631 136 GLY   A HA2  
400  H  HA3  . GLY   A 24  ? 0.12908584 0.22808480 0.26435262 -0.02192530 0.03089798  -0.01733042 136 GLY   A HA3  
401  N  N    . THR   A 25  ? 0.15959883 0.22960784 0.26665422 -0.02884955 0.03687704  -0.00465049 137 THR   A N    
402  C  CA   . THR   A 25  ? 0.16579160 0.23741387 0.27148527 -0.02576412 0.02227266  -0.01726538 137 THR   A CA   
403  C  C    . THR   A 25  ? 0.14894238 0.24025011 0.26693338 -0.02391416 0.03128454  -0.01793204 137 THR   A C    
404  O  O    . THR   A 25  ? 0.15913373 0.27120328 0.26048386 -0.00379516 0.03508442  -0.01760930 137 THR   A O    
405  C  CB   . THR   A 25  ? 0.18798181 0.24883704 0.30492780 -0.03399465 0.00126159  -0.02175710 137 THR   A CB   
406  O  OG1  . THR   A 25  ? 0.21793447 0.27182612 0.33548477 -0.02714047 -0.01699084 -0.02043585 137 THR   A OG1  
407  C  CG2  . THR   A 25  ? 0.19593152 0.26391760 0.31038773 -0.03676028 -0.00100313 -0.02279401 137 THR   A CG2  
408  H  H    . THR   A 25  ? 0.16071896 0.23158327 0.26503649 -0.02836947 0.03489671  -0.00945377 137 THR   A H    
409  H  HA   . THR   A 25  ? 0.16468161 0.23823336 0.27508193 -0.02707450 0.02311608  -0.01575961 137 THR   A HA   
410  H  HB   . THR   A 25  ? 0.18983053 0.25307560 0.30404699 -0.03166937 0.00207864  -0.02067258 137 THR   A HB   
411  H  HG1  . THR   A 25  ? 0.28582704 0.28582704 0.28582704 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
412  H  HG21 . THR   A 25  ? 0.19434033 0.25963369 0.30909112 -0.03554796 -0.00001427 -0.02255475 137 THR   A HG21 
413  H  HG22 . THR   A 25  ? 0.19396129 0.25943762 0.30934232 -0.03546308 -0.00089365 -0.02286012 137 THR   A HG22 
414  H  HG23 . THR   A 25  ? 0.19400202 0.26012531 0.30923179 -0.03610482 0.00014868  -0.02330547 137 THR   A HG23 
415  N  N    . VAL   A 26  ? 0.14288273 0.22407049 0.26780945 -0.01917218 0.02198000  -0.03105915 138 VAL   A N    
416  C  CA   . VAL   A 26  ? 0.13944341 0.24220780 0.27954677 -0.01511708 0.01925915  -0.03316207 138 VAL   A CA   
417  C  C    . VAL   A 26  ? 0.13208716 0.23836109 0.29566264 -0.00215382 0.00147074  -0.03806128 138 VAL   A C    
418  O  O    . VAL   A 26  ? 0.21511437 0.24747625 0.30512103 0.00297298  -0.02878298 -0.03445934 138 VAL   A O    
419  C  CB   . VAL   A 26  ? 0.13244449 0.27015615 0.29177323 -0.00985830 0.01359437  -0.04465398 138 VAL   A CB   
420  C  CG1  . VAL   A 26  ? 0.15695377 0.28062958 0.30083421 0.00304933  0.01030106  -0.04665861 138 VAL   A CG1  
421  C  CG2  . VAL   A 26  ? 0.14564961 0.28955525 0.32122624 -0.01779164 0.02412269  -0.04636692 138 VAL   A CG2  
422  H  H    . VAL   A 26  ? 0.14370571 0.23258187 0.27044821 -0.01946045 0.02367069  -0.02841676 138 VAL   A H    
423  H  HA   . VAL   A 26  ? 0.13779859 0.24266800 0.28194588 -0.01271104 0.01544053  -0.03560305 138 VAL   A HA   
424  H  HB   . VAL   A 26  ? 0.14024995 0.26896834 0.29357588 -0.00961010 0.01557391  -0.04370326 138 VAL   A HB   
425  H  HG11 . VAL   A 26  ? 0.15054819 0.27806348 0.29938692 -0.00051631 0.01074736  -0.04552287 138 VAL   A HG11 
426  H  HG12 . VAL   A 26  ? 0.15154655 0.27989984 0.29934260 0.00085407  0.01022726  -0.04534461 138 VAL   A HG12 
427  H  HG13 . VAL   A 26  ? 0.15415750 0.27827409 0.29937503 -0.00066213 0.00933904  -0.04554826 138 VAL   A HG13 
428  H  HG21 . VAL   A 26  ? 0.14397408 0.28361595 0.31301066 -0.01551110 0.02047800  -0.04536006 138 VAL   A HG21 
429  H  HG22 . VAL   A 26  ? 0.14329265 0.28414509 0.31392625 -0.01667933 0.02219039  -0.04662331 138 VAL   A HG22 
430  H  HG23 . VAL   A 26  ? 0.14226770 0.28420070 0.31568322 -0.01554978 0.02101392  -0.04426576 138 VAL   A HG23 
431  N  N    . LYS   A 27  ? 0.13851731 0.24477637 0.31271321 -0.01917256 -0.01117971 -0.03592723 139 LYS   A N    
432  C  CA   . LYS   A 27  ? 0.15719587 0.25893676 0.34269279 -0.02912704 -0.01435640 -0.04075880 139 LYS   A CA   
433  C  C    . LYS   A 27  ? 0.17507197 0.25783372 0.37300068 -0.02245998 -0.02804129 -0.04831449 139 LYS   A C    
434  O  O    . LYS   A 27  ? 0.15805808 0.25316510 0.34203002 0.00642200  -0.01631970 -0.04816192 139 LYS   A O    
435  C  CB   . LYS   A 27  ? 0.17592227 0.28182891 0.36385694 -0.03426210 -0.02144717 -0.01652129 139 LYS   A CB   
436  C  CG   . LYS   A 27  ? 0.26514059 0.30919003 0.38268563 -0.01971989 0.00294979  -0.01375940 139 LYS   A CG   
437  C  CD   . LYS   A 27  ? 0.33857208 0.37228972 0.41085118 -0.01680034 -0.01046087 -0.00417419 139 LYS   A CD   
438  C  CE   . LYS   A 27  ? 0.38182065 0.41381612 0.45467222 -0.00551867 0.01271351  0.00099390  139 LYS   A CE   
439  N  NZ   . LYS   A 27  ? 0.43951488 0.45894390 0.48795608 -0.01741472 0.00354297  0.02289113  139 LYS   A NZ   
440  H  H    . LYS   A 27  ? 0.14064050 0.24591666 0.31296349 -0.01727165 -0.00889869 -0.03793778 139 LYS   A H    
441  H  HA   . LYS   A 27  ? 0.16063568 0.26077598 0.34663051 -0.02660085 -0.01783243 -0.03691635 139 LYS   A HA   
442  H  HB2  . LYS   A 27  ? 0.17888458 0.28011185 0.35935363 -0.03051583 -0.01867038 -0.02226948 139 LYS   A HB2  
443  H  HB3  . LYS   A 27  ? 0.18493539 0.27936584 0.36159194 -0.03045492 -0.01574883 -0.02245890 139 LYS   A HB3  
444  H  HG2  . LYS   A 27  ? 0.25862855 0.31167781 0.38470754 -0.02321970 -0.00095499 -0.01279033 139 LYS   A HG2  
445  H  HG3  . LYS   A 27  ? 0.25157219 0.31237090 0.38175884 -0.02247958 -0.00494659 -0.01251042 139 LYS   A HG3  
446  H  HD2  . LYS   A 27  ? 0.32603422 0.36319757 0.41105229 -0.01485976 -0.00189178 -0.00529994 139 LYS   A HD2  
447  H  HD3  . LYS   A 27  ? 0.32563069 0.36720347 0.41067448 -0.01388198 -0.00196531 -0.00511386 139 LYS   A HD3  
448  H  HE2  . LYS   A 27  ? 0.38469929 0.41178700 0.44972157 -0.00945271 0.00719615  0.00502049  139 LYS   A HE2  
449  H  HE3  . LYS   A 27  ? 0.38015151 0.41325223 0.44797352 -0.01001552 0.00557598  0.00425858  139 LYS   A HE3  
450  H  HZ1  . LYS   A 27  ? 0.42240387 0.45122379 0.47700039 -0.01317924 0.00620368  0.01568349  139 LYS   A HZ1  
451  H  HZ2  . LYS   A 27  ? 0.42701429 0.44569910 0.47832099 -0.01223485 0.00907714  0.01719254  139 LYS   A HZ2  
452  H  HZ3  . LYS   A 27  ? 0.42941642 0.44824570 0.47920710 -0.01794856 0.00280748  0.01857482  139 LYS   A HZ3  
453  N  N    . PRO   A 28  ? 0.23069088 0.28443441 0.44548264 -0.03937807 -0.04110913 -0.07541791 140 PRO   A N    
454  C  CA   . PRO   A 28  ? 0.29914293 0.26876128 0.47260222 -0.04020765 -0.03990510 -0.08712314 140 PRO   A CA   
455  C  C    . PRO   A 28  ? 0.33005619 0.25215510 0.50737703 -0.03738464 -0.04673921 -0.06821282 140 PRO   A C    
456  O  O    . PRO   A 28  ? 0.38403311 0.28425825 0.50307649 -0.04078338 -0.05354339 -0.05414911 140 PRO   A O    
457  C  CB   . PRO   A 28  ? 0.28827304 0.30945635 0.49330944 -0.04483614 -0.03738647 -0.08612636 140 PRO   A CB   
458  C  CG   . PRO   A 28  ? 0.29873583 0.32621467 0.50718421 -0.03199172 -0.03281769 -0.08307050 140 PRO   A CG   
459  C  CD   . PRO   A 28  ? 0.24242236 0.31955767 0.47851050 -0.04162665 -0.04171118 -0.08111971 140 PRO   A CD   
460  H  HA   . PRO   A 28  ? 0.28752619 0.27627596 0.47639653 -0.03957304 -0.04149956 -0.08118472 140 PRO   A HA   
461  H  HB2  . PRO   A 28  ? 0.29360899 0.30720389 0.49150172 -0.04204222 -0.03682540 -0.08614384 140 PRO   A HB2  
462  H  HB3  . PRO   A 28  ? 0.29323089 0.30401778 0.49206936 -0.04117098 -0.03677349 -0.08590166 140 PRO   A HB3  
463  H  HG2  . PRO   A 28  ? 0.28397548 0.32168671 0.50003594 -0.03673187 -0.03486772 -0.08450574 140 PRO   A HG2  
464  H  HG3  . PRO   A 28  ? 0.29147106 0.32152396 0.50038791 -0.03468036 -0.03052328 -0.08210583 140 PRO   A HG3  
465  H  HD2  . PRO   A 28  ? 0.24819025 0.31063971 0.47391975 -0.03913224 -0.03998396 -0.07799060 140 PRO   A HD2  
466  H  HD3  . PRO   A 28  ? 0.25004375 0.31189394 0.47591519 -0.03942918 -0.03922059 -0.08027065 140 PRO   A HD3  
467  N  N    . ASN   A 29  ? 0.35159242 0.25589174 0.55233204 -0.03576829 -0.05633266 -0.05944441 141 ASN   A N    
468  C  CA   . ASN   A 29  ? 0.37169427 0.29033625 0.53760427 -0.02435684 -0.07084823 -0.03976981 141 ASN   A CA   
469  C  C    . ASN   A 29  ? 0.30248791 0.27334288 0.48416546 0.00356624  -0.07556181 -0.02076944 141 ASN   A C    
470  O  O    . ASN   A 29  ? 0.31638151 0.26145273 0.46463558 0.01203572  -0.07511465 -0.01632333 141 ASN   A O    
471  C  CB   . ASN   A 29  ? 0.41334337 0.32130045 0.60197979 -0.05913073 -0.06011349 -0.03713069 141 ASN   A CB   
472  C  CG   . ASN   A 29  ? 0.50822806 0.39447573 0.63868463 -0.05398208 -0.04669882 -0.05580155 141 ASN   A CG   
473  O  OD1  . ASN   A 29  ? 0.57546431 0.43622890 0.67851192 -0.01047556 0.00802544  -0.03052951 141 ASN   A OD1  
474  N  ND2  . ASN   A 29  ? 0.52428347 0.47405589 0.70284414 -0.07454094 -0.02919322 -0.02769943 141 ASN   A ND2  
475  H  H    . ASN   A 29  ? 0.34986871 0.26255614 0.54179364 -0.03344646 -0.05848707 -0.05832344 141 ASN   A H    
476  H  HA   . ASN   A 29  ? 0.36330432 0.28496873 0.54055870 -0.02771689 -0.06912257 -0.03866330 141 ASN   A HA   
477  H  HB2  . ASN   A 29  ? 0.42018616 0.32662752 0.59084278 -0.04915790 -0.06111360 -0.04080858 141 ASN   A HB2  
478  H  HB3  . ASN   A 29  ? 0.42008820 0.32668686 0.59118134 -0.04952080 -0.05933145 -0.04178546 141 ASN   A HB3  
479  H  HD21 . ASN   A 29  ? 0.51944143 0.44552594 0.68764216 -0.06681023 -0.03791405 -0.03376740 141 ASN   A HD21 
480  H  HD22 . ASN   A 29  ? 0.52205384 0.45291421 0.69063318 -0.06264695 -0.03035955 -0.02835133 141 ASN   A HD22 
481  N  N    . ALA   A 30  ? 0.26117498 0.27408278 0.42421985 0.01443871  -0.07393494 -0.02911445 142 ALA   A N    
482  C  CA   . ALA   A 30  ? 0.21611884 0.24802327 0.39150774 0.03442665  -0.05311288 -0.03670076 142 ALA   A CA   
483  C  C    . ALA   A 30  ? 0.19119596 0.21182609 0.37522000 0.02557545  -0.03068175 -0.04270086 142 ALA   A C    
484  O  O    . ALA   A 30  ? 0.23443991 0.24675420 0.35417932 0.00085770  -0.02450435 -0.06476244 142 ALA   A O    
485  C  CB   . ALA   A 30  ? 0.19656724 0.24624430 0.39293817 0.04377464  -0.05774201 -0.03814037 142 ALA   A CB   
486  H  H    . ALA   A 30  ? 0.25871551 0.26677153 0.42682225 0.01676596  -0.06909264 -0.02889813 142 ALA   A H    
487  H  HA   . ALA   A 30  ? 0.21480612 0.24439473 0.39385009 0.03088885  -0.05277645 -0.03664913 142 ALA   A HA   
488  H  HB1  . ALA   A 30  ? 0.19694243 0.24705915 0.39033741 0.04130591  -0.05680257 -0.03751582 142 ALA   A HB1  
489  H  HB2  . ALA   A 30  ? 0.20100816 0.24683572 0.39204308 0.04111631  -0.05648740 -0.03765937 142 ALA   A HB2  
490  H  HB3  . ALA   A 30  ? 0.20097706 0.24678032 0.39198321 0.04109130  -0.05644879 -0.03768272 142 ALA   A HB3  
491  N  N    . ASN   A 31  ? 0.17310852 0.21671404 0.35968938 0.02015864  -0.02228877 -0.02774186 143 ASN   A N    
492  C  CA   . ASN   A 31  ? 0.18620966 0.23712111 0.36396542 0.02669031  -0.02699611 -0.02819619 143 ASN   A CA   
493  C  C    . ASN   A 31  ? 0.15483138 0.21213779 0.34605122 0.03520185  -0.02043660 -0.01124901 143 ASN   A C    
494  O  O    . ASN   A 31  ? 0.15208250 0.23768952 0.36102533 0.04649531  -0.02794603 -0.01827687 143 ASN   A O    
495  C  CB   . ASN   A 31  ? 0.24544199 0.26927948 0.38445604 0.01896199  -0.00192397 -0.01858274 143 ASN   A CB   
496  C  CG   . ASN   A 31  ? 0.32839403 0.30336124 0.45012197 0.02128200  0.00916607  -0.02395732 143 ASN   A CG   
497  O  OD1  . ASN   A 31  ? 0.44623384 0.36200148 0.49974650 0.06351086  0.03469070  -0.06408910 143 ASN   A OD1  
498  N  ND2  . ASN   A 31  ? 0.36660361 0.33640388 0.50867730 -0.00711229 0.02189875  -0.03217267 143 ASN   A ND2  
499  H  H    . ASN   A 31  ? 0.17731901 0.22018474 0.36314899 0.02375557  -0.02369594 -0.03171917 143 ASN   A H    
500  H  HA   . ASN   A 31  ? 0.18729706 0.23302931 0.36343697 0.02524293  -0.02116324 -0.02309124 143 ASN   A HA   
501  H  HB2  . ASN   A 31  ? 0.24251910 0.26608396 0.39000210 0.02133946  -0.00554916 -0.02186738 143 ASN   A HB2  
502  H  HB3  . ASN   A 31  ? 0.24357450 0.26528871 0.38977808 0.02189726  -0.00476250 -0.02171977 143 ASN   A HB3  
503  H  HD21 . ASN   A 31  ? 0.35561818 0.32835320 0.49019918 -0.00058702 0.01327735  -0.02514935 143 ASN   A HD21 
504  H  HD22 . ASN   A 31  ? 0.35477960 0.33042201 0.48915142 0.00304610  0.01702327  -0.02783909 143 ASN   A HD22 
505  N  N    . ARG   A 32  ? 0.08875338 0.21408336 0.33889669 0.00680531  -0.01520071 -0.01679768 144 ARG   A N    
506  C  CA   . ARG   A 32  ? 0.11391500 0.21440710 0.36123008 0.00687537  -0.01529843 -0.02474838 144 ARG   A CA   
507  C  C    . ARG   A 32  ? 0.09991477 0.20739111 0.34684899 -0.00383499 -0.01395924 -0.04357991 144 ARG   A C    
508  O  O    . ARG   A 32  ? 0.10033182 0.24810010 0.38767210 -0.02438018 -0.00286503 -0.04160733 144 ARG   A O    
509  C  CB   . ARG   A 32  ? 0.14818902 0.23360576 0.37417492 0.00554309  -0.02005741 -0.03182853 144 ARG   A CB   
510  C  CG   . ARG   A 32  ? 0.20668934 0.28823754 0.39153123 0.02484216  0.00447461  -0.01866889 144 ARG   A CG   
511  C  CD   . ARG   A 32  ? 0.27007532 0.34043536 0.41691801 0.03521078  0.00503809  -0.01091510 144 ARG   A CD   
512  N  NE   . ARG   A 32  ? 0.35231784 0.40721864 0.43732673 0.02141154  0.02961175  0.00036889  144 ARG   A NE   
513  C  CZ   . ARG   A 32  ? 0.39162475 0.41907093 0.46452159 0.01536568  0.01945736  0.02737461  144 ARG   A CZ   
514  N  NH1  . ARG   A 32  ? 0.39991423 0.38946646 0.45034379 0.03628127  0.00610939  0.02526444  144 ARG   A NH1  
515  N  NH2  . ARG   A 32  ? 0.43807551 0.44287044 0.50633359 0.01515152  0.04747653  0.03879552  144 ARG   A NH2  
516  H  H    . ARG   A 32  ? 0.09028237 0.21347913 0.34560707 0.01049407  -0.01710055 -0.01774540 144 ARG   A H    
517  H  HA   . ARG   A 32  ? 0.11228728 0.21609582 0.35545385 0.00544405  -0.01639905 -0.02789139 144 ARG   A HA   
518  H  HB2  . ARG   A 32  ? 0.14778054 0.23271109 0.37263027 0.00790927  -0.01458573 -0.02922063 144 ARG   A HB2  
519  H  HB3  . ARG   A 32  ? 0.14944065 0.23702502 0.37322727 0.00861319  -0.01406850 -0.02776045 144 ARG   A HB3  
520  H  HG2  . ARG   A 32  ? 0.19943407 0.28464326 0.39103770 0.02384312  -0.00077471 -0.01803299 144 ARG   A HG2  
521  H  HG3  . ARG   A 32  ? 0.20031300 0.28197825 0.39023903 0.02034123  -0.00180112 -0.02008511 144 ARG   A HG3  
522  H  HD2  . ARG   A 32  ? 0.26697770 0.33878836 0.41377550 0.03111844  0.01051394  -0.00959000 144 ARG   A HD2  
523  H  HD3  . ARG   A 32  ? 0.26589629 0.33662793 0.41337442 0.03054999  0.01005481  -0.01038922 144 ARG   A HD3  
524  H  HE   . ARG   A 32  ? 0.34516397 0.38930744 0.43956694 0.02435214  0.02589843  0.00385360  144 ARG   A HE   
525  H  HH11 . ARG   A 32  ? 0.39799488 0.39849254 0.45219448 0.02975126  0.01044065  0.02579470  144 ARG   A HH11 
526  H  HH12 . ARG   A 32  ? 0.39770886 0.39713055 0.45362467 0.02956684  0.00932319  0.02580707  144 ARG   A HH12 
527  H  HH21 . ARG   A 32  ? 0.42376971 0.43406761 0.49907473 0.01553042  0.03938644  0.03326309  144 ARG   A HH21 
528  H  HH22 . ARG   A 32  ? 0.43125743 0.43380284 0.49573958 0.01500565  0.04435480  0.03385683  144 ARG   A HH22 
529  N  N    . ILE   A 33  ? 0.07630538 0.20595625 0.32569033 0.00699810  -0.01172484 -0.03490657 145 ILE   A N    
530  C  CA   . ILE   A 33  ? 0.07805700 0.21743569 0.31743249 0.01881980  -0.00490600 -0.03914472 145 ILE   A CA   
531  C  C    . ILE   A 33  ? 0.04480403 0.21205564 0.31083128 0.01338806  0.00643392  -0.02423710 145 ILE   A C    
532  O  O    . ILE   A 33  ? 0.04293547 0.22045146 0.30903903 0.00979086  0.00622083  -0.02446930 145 ILE   A O    
533  C  CB   . ILE   A 33  ? 0.14473683 0.27420121 0.32530305 0.02698284  -0.02825164 -0.04840538 145 ILE   A CB   
534  C  CG1  . ILE   A 33  ? 0.13365510 0.29825622 0.34840089 0.02410172  -0.05947355 -0.05471808 145 ILE   A CG1  
535  C  CG2  . ILE   A 33  ? 0.16742936 0.27532467 0.33081532 0.03464255  -0.03265581 -0.03893498 145 ILE   A CG2  
536  C  CD1  . ILE   A 33  ? 0.14511175 0.30632305 0.35126865 0.02821499  -0.06802827 -0.05838770 145 ILE   A CD1  
537  H  H    . ILE   A 33  ? 0.07747107 0.20886455 0.32876265 0.00668559  -0.00986358 -0.03746954 145 ILE   A H    
538  H  HA   . ILE   A 33  ? 0.07919221 0.22169258 0.31900159 0.01581770  -0.00651604 -0.03634646 145 ILE   A HA   
539  H  HB   . ILE   A 33  ? 0.13705599 0.26552287 0.32892305 0.02792511  -0.03125691 -0.04603490 145 ILE   A HB   
540  H  HG12 . ILE   A 33  ? 0.13767973 0.29426390 0.34327000 0.02486119  -0.05260599 -0.05323395 145 ILE   A HG12 
541  H  HG13 . ILE   A 33  ? 0.13826430 0.29511589 0.34368220 0.02435596  -0.05285150 -0.05339486 145 ILE   A HG13 
542  H  HG21 . ILE   A 33  ? 0.16088267 0.27544314 0.32921696 0.03269497  -0.03182376 -0.04144090 145 ILE   A HG21 
543  H  HG22 . ILE   A 33  ? 0.16387133 0.27537775 0.33002749 0.03332940  -0.03273139 -0.04175070 145 ILE   A HG22 
544  H  HG23 . ILE   A 33  ? 0.16053572 0.27567810 0.33015519 0.03330735  -0.03016988 -0.04026997 145 ILE   A HG23 
545  H  HD11 . ILE   A 33  ? 0.14490250 0.30412197 0.35056880 0.02747868  -0.06610009 -0.05737042 145 ILE   A HD11 
546  H  HD12 . ILE   A 33  ? 0.14255726 0.30412513 0.35048449 0.02708651  -0.06546839 -0.05718659 145 ILE   A HD12 
547  H  HD13 . ILE   A 33  ? 0.14296418 0.30435407 0.35024458 0.02675148  -0.06513298 -0.05716731 145 ILE   A HD13 
548  N  N    . ALA   A 34  ? 0.07239390 0.20675470 0.31827798 -0.00096352 0.02158129  -0.02704856 146 ALA   A N    
549  C  CA   . ALA   A 34  ? 0.06463379 0.21258567 0.30775991 0.00284248  0.01843954  -0.01568223 146 ALA   A CA   
550  C  C    . ALA   A 34  ? 0.04806241 0.21831475 0.28797266 0.00379646  0.00567634  -0.01153851 146 ALA   A C    
551  O  O    . ALA   A 34  ? 0.05279040 0.23559426 0.32875854 -0.00719416 0.02470292  -0.01941315 146 ALA   A O    
552  C  CB   . ALA   A 34  ? 0.07375392 0.22844122 0.31002060 0.01620514  0.00818266  -0.01394538 146 ALA   A CB   
553  H  H    . ALA   A 34  ? 0.06988236 0.20971288 0.31396171 0.00435279  0.01639073  -0.02385223 146 ALA   A H    
554  H  HA   . ALA   A 34  ? 0.06211094 0.21522245 0.30506280 0.00409858  0.01535517  -0.01654980 146 ALA   A HA   
555  H  HB1  . ALA   A 34  ? 0.07237846 0.22401816 0.30975431 0.01252156  0.01108883  -0.01430735 146 ALA   A HB1  
556  H  HB2  . ALA   A 34  ? 0.07498509 0.22425357 0.31051582 0.01316391  0.00968966  -0.01472394 146 ALA   A HB2  
557  H  HB3  . ALA   A 34  ? 0.07228281 0.22493219 0.31015223 0.01313631  0.01152845  -0.01355586 146 ALA   A HB3  
558  N  N    . LEU   A 35  ? 0.05976693 0.21796916 0.27748528 -0.00482645 0.00946855  -0.01786030 147 LEU   A N    
559  C  CA   . LEU   A 35  ? 0.06087698 0.22322457 0.27032247 -0.00335671 0.01790405  -0.02365734 147 LEU   A CA   
560  C  C    . LEU   A 35  ? 0.04360571 0.21845478 0.27512896 -0.02760789 0.01913010  -0.02874301 147 LEU   A C    
561  O  O    . LEU   A 35  ? 0.04207230 0.23973425 0.27759790 -0.02029151 0.01107205  -0.03937338 147 LEU   A O    
562  C  CB   . LEU   A 35  ? 0.08791852 0.23975764 0.28823647 0.01068912  0.02413372  -0.01113636 147 LEU   A CB   
563  C  CG   . LEU   A 35  ? 0.17945334 0.28690121 0.28959650 0.01411040  0.01731079  -0.00150454 147 LEU   A CG   
564  C  CD1  . LEU   A 35  ? 0.20052220 0.29693681 0.30650061 0.00756394  0.00301801  0.00760156  147 LEU   A CD1  
565  C  CD2  . LEU   A 35  ? 0.19908361 0.32019946 0.29903883 0.00605121  0.02244849  0.01370533  147 LEU   A CD2  
566  H  H    . LEU   A 35  ? 0.05952983 0.21919146 0.27912754 -0.00254012 0.00964578  -0.01755479 147 LEU   A H    
567  H  HA   . LEU   A 35  ? 0.06076503 0.22422992 0.27595174 -0.00592043 0.01759835  -0.02140131 147 LEU   A HA   
568  H  HB2  . LEU   A 35  ? 0.08876773 0.24140926 0.28268856 0.00698073  0.02193956  -0.01263745 147 LEU   A HB2  
569  H  HB3  . LEU   A 35  ? 0.09329249 0.24054867 0.28294539 0.00835798  0.02150841  -0.01303606 147 LEU   A HB3  
570  H  HG   . LEU   A 35  ? 0.16328840 0.28282019 0.29391015 0.01053234  0.01724296  0.00112062  147 LEU   A HG   
571  H  HD11 . LEU   A 35  ? 0.19882563 0.29461849 0.30169320 0.00980216  0.00672750  0.00510284  147 LEU   A HD11 
572  H  HD12 . LEU   A 35  ? 0.19473623 0.29445511 0.30229849 0.00934647  0.00770459  0.00525811  147 LEU   A HD12 
573  H  HD13 . LEU   A 35  ? 0.19565573 0.29706517 0.30211252 0.00821852  0.00674019  0.00627525  147 LEU   A HD13 
574  H  HD21 . LEU   A 35  ? 0.19002207 0.30944782 0.29707363 0.00810058  0.02050609  0.00808805  147 LEU   A HD21 
575  H  HD22 . LEU   A 35  ? 0.19302960 0.31341484 0.29797417 0.00583831  0.01941032  0.01090768  147 LEU   A HD22 
576  H  HD23 . LEU   A 35  ? 0.19256331 0.30992630 0.29903901 0.00823224  0.02144713  0.00957923  147 LEU   A HD23 
577  N  N    . ASP   A 36  ? 0.04223594 0.21620099 0.27119172 -0.01519569 0.00838109  -0.03453699 148 ASP   A N    
578  C  CA   . ASP   A 36  ? 0.06927641 0.20903228 0.26794100 -0.00916718 0.00691627  -0.03134403 148 ASP   A CA   
579  C  C    . ASP   A 36  ? 0.07306676 0.20080930 0.25168166 -0.00370348 0.00790055  -0.01691157 148 ASP   A C    
580  O  O    . ASP   A 36  ? 0.06278367 0.22451600 0.27145812 -0.01282748 0.00736087  -0.02829082 148 ASP   A O    
581  C  CB   . ASP   A 36  ? 0.07347856 0.20854875 0.27891797 -0.01777553 -0.00574177 -0.02573344 148 ASP   A CB   
582  C  CG   . ASP   A 36  ? 0.11825269 0.22771946 0.31308341 -0.02102040 -0.00607281 -0.01809739 148 ASP   A CG   
583  O  OD1  . ASP   A 36  ? 0.12696546 0.27535301 0.34632641 -0.02125331 -0.01293366 -0.01809509 148 ASP   A OD1  
584  O  OD2  . ASP   A 36  ? 0.18104219 0.25151929 0.38240665 -0.04936612 -0.03535023 -0.01902903 148 ASP   A OD2  
585  H  H    . ASP   A 36  ? 0.04225407 0.21522908 0.27139893 -0.01591589 0.01016443  -0.03223787 148 ASP   A H    
586  H  HA   . ASP   A 36  ? 0.06821561 0.20905758 0.26761016 -0.01090566 0.00489114  -0.02804562 148 ASP   A HA   
587  H  HB2  . ASP   A 36  ? 0.07428306 0.21201320 0.28236333 -0.01758597 -0.00288997 -0.02569268 148 ASP   A HB2  
588  H  HB3  . ASP   A 36  ? 0.07920826 0.21155098 0.28033191 -0.01680913 -0.00328579 -0.02651048 148 ASP   A HB3  
589  N  N    . PHE   A 37  ? 0.05759232 0.19559743 0.24238618 0.00409499  0.01348233  -0.01172796 149 PHE   A N    
590  C  CA   . PHE   A 37  ? 0.05544059 0.20195785 0.24032983 0.00371389  0.01244643  -0.00704221 149 PHE   A CA   
591  C  C    . PHE   A 37  ? 0.06318442 0.19960575 0.23666632 0.00900158  0.00880196  -0.00514211 149 PHE   A C    
592  O  O    . PHE   A 37  ? 0.05663352 0.23994803 0.24623507 0.00655504  -0.00189854 0.00520985  149 PHE   A O    
593  C  CB   . PHE   A 37  ? 0.08610094 0.20929082 0.23201200 0.01513085  0.02487618  -0.00412335 149 PHE   A CB   
594  C  CG   . PHE   A 37  ? 0.10904503 0.23475319 0.23990595 0.02273027  0.02302042  -0.00058851 149 PHE   A CG   
595  C  CD1  . PHE   A 37  ? 0.11650260 0.24083826 0.24777922 0.02323431  0.02201439  -0.01252653 149 PHE   A CD1  
596  C  CD2  . PHE   A 37  ? 0.13404797 0.23818788 0.25460917 0.02764294  0.01637448  0.00433341  149 PHE   A CD2  
597  C  CE1  . PHE   A 37  ? 0.11640806 0.27646571 0.25207821 0.04548181  0.02222544  -0.01339073 149 PHE   A CE1  
598  C  CE2  . PHE   A 37  ? 0.14434601 0.27533591 0.26073861 0.04657738  0.02027695  0.00565709  149 PHE   A CE2  
599  C  CZ   . PHE   A 37  ? 0.15810460 0.28488889 0.25853288 0.05233631  0.01797014  -0.00301560 149 PHE   A CZ   
600  H  H    . PHE   A 37  ? 0.05839359 0.19835874 0.24320923 0.00293635  0.01372517  -0.01243921 149 PHE   A H    
601  H  HA   . PHE   A 37  ? 0.05760277 0.20122275 0.23893906 0.00752821  0.01358271  -0.00720971 149 PHE   A HA   
602  H  HB2  . PHE   A 37  ? 0.08374481 0.21193622 0.23579386 0.01310106  0.02118675  -0.00417567 149 PHE   A HB2  
603  H  HB3  . PHE   A 37  ? 0.08285359 0.21092546 0.23576616 0.01393901  0.02122341  -0.00471164 149 PHE   A HB3  
604  H  HD1  . PHE   A 37  ? 0.11587109 0.24778600 0.24699336 0.02730313  0.02260453  -0.00989470 149 PHE   A HD1  
605  H  HD2  . PHE   A 37  ? 0.12938246 0.24516059 0.25251096 0.03038524  0.01872622  0.00378594  149 PHE   A HD2  
606  H  HE1  . PHE   A 37  ? 0.12461604 0.26743090 0.25170428 0.04141483  0.02154626  -0.01102869 149 PHE   A HE1  
607  H  HE2  . PHE   A 37  ? 0.14467604 0.26731420 0.25937992 0.04268459  0.01860723  0.00268856  149 PHE   A HE2  
608  H  HZ   . PHE   A 37  ? 0.14346285 0.27926999 0.25796023 0.04869164  0.01994775  -0.00357408 149 PHE   A HZ   
609  N  N    . GLN   A 38  ? 0.06510742 0.19522548 0.23471163 -0.00226666 0.01095881  -0.01322669 150 GLN   A N    
610  C  CA   . GLN   A 38  ? 0.09923407 0.19606183 0.24064738 0.00972675  -0.00116854 -0.00722824 150 GLN   A CA   
611  C  C    . GLN   A 38  ? 0.10671421 0.20813775 0.22974756 0.00260335  -0.00876998 -0.00477343 150 GLN   A C    
612  O  O    . GLN   A 38  ? 0.16220406 0.19401777 0.24842536 0.02791345  -0.02363066 -0.00810518 150 GLN   A O    
613  C  CB   . GLN   A 38  ? 0.17258407 0.22335485 0.26251954 -0.00574547 0.02178370  -0.00300156 150 GLN   A CB   
614  C  CG   . GLN   A 38  ? 0.25771978 0.25005570 0.31157929 -0.01123724 0.01079567  -0.02372895 150 GLN   A CG   
615  C  CD   . GLN   A 38  ? 0.29737693 0.29805195 0.37947297 0.02544379  -0.02031200 -0.03157775 150 GLN   A CD   
616  O  OE1  . GLN   A 38  ? 0.38095585 0.38559070 0.47518250 0.01628261  -0.07772891 -0.05816083 150 GLN   A OE1  
617  N  NE2  . GLN   A 38  ? 0.35640651 0.33163938 0.42550343 -0.01045479 -0.02984639 -0.03645641 150 GLN   A NE2  
618  H  H    . GLN   A 38  ? 0.07090050 0.19649538 0.23638222 0.00318695  0.00777074  -0.00990199 150 GLN   A H    
619  H  HA   . GLN   A 38  ? 0.09612292 0.20071773 0.23974095 0.00619849  0.00237423  -0.00677765 150 GLN   A HA   
620  H  HB2  . GLN   A 38  ? 0.16926099 0.22073101 0.26407263 -0.00529766 0.01475886  -0.00856689 150 GLN   A HB2  
621  H  HB3  . GLN   A 38  ? 0.16484949 0.21991925 0.26464149 -0.00269351 0.01328833  -0.00814570 150 GLN   A HB3  
622  H  HG2  . GLN   A 38  ? 0.23843348 0.24924448 0.30970538 -0.00225971 0.00664208  -0.01864679 150 GLN   A HG2  
623  H  HG3  . GLN   A 38  ? 0.24648167 0.25056091 0.30909759 -0.00074306 0.00957767  -0.01873200 150 GLN   A HG3  
624  H  HE21 . GLN   A 38  ? 0.33683482 0.32123262 0.41476074 0.00189088  -0.02298603 -0.03435416 150 GLN   A HE21 
625  H  HE22 . GLN   A 38  ? 0.33768576 0.32686201 0.41529816 -0.00029806 -0.02400276 -0.03937867 150 GLN   A HE22 
626  N  N    . ARG   A 39  ? 0.08520484 0.20608038 0.22650018 -0.00269963 -0.00406186 -0.00252101 151 ARG   A N    
627  C  CA   . ARG   A 39  ? 0.06690532 0.21953784 0.22397318 -0.00504357 0.00437428  -0.00216239 151 ARG   A CA   
628  C  C    . ARG   A 39  ? 0.07507788 0.21381783 0.22275089 0.01037288  0.00588317  -0.00325374 151 ARG   A C    
629  O  O    . ARG   A 39  ? 0.09119747 0.23266189 0.23075172 -0.00523378 -0.00917133 0.01877055  151 ARG   A O    
630  C  CB   . ARG   A 39  ? 0.08182858 0.25054559 0.23110579 -0.02054610 0.00703895  0.00177343  151 ARG   A CB   
631  C  CG   . ARG   A 39  ? 0.11454526 0.26082578 0.24000132 -0.03185792 0.00399591  -0.00499520 151 ARG   A CG   
632  C  CD   . ARG   A 39  ? 0.14714772 0.29505554 0.25546283 -0.05568919 0.01370834  -0.01915017 151 ARG   A CD   
633  N  NE   . ARG   A 39  ? 0.17575562 0.29315540 0.27004561 -0.06748948 0.02168886  -0.02295721 151 ARG   A NE   
634  C  CZ   . ARG   A 39  ? 0.22409852 0.31019449 0.26163292 -0.05399071 0.01475204  -0.01878912 151 ARG   A CZ   
635  N  NH1  . ARG   A 39  ? 0.24122205 0.31842667 0.26915604 -0.04618950 0.01770493  -0.02288418 151 ARG   A NH1  
636  N  NH2  . ARG   A 39  ? 0.27747133 0.33790180 0.27889895 -0.04978941 0.00090414  -0.03622840 151 ARG   A NH2  
637  H  H    . ARG   A 39  ? 0.08546454 0.20907854 0.22683679 -0.00143213 -0.00316297 -0.00297452 151 ARG   A H    
638  H  HA   . ARG   A 39  ? 0.07370809 0.21951446 0.22558297 -0.00269928 0.00300028  -0.00147755 151 ARG   A HA   
639  H  HB2  . ARG   A 39  ? 0.08484612 0.24469692 0.23067848 -0.01914336 0.00582676  -0.00037871 151 ARG   A HB2  
640  H  HB3  . ARG   A 39  ? 0.08551915 0.24520391 0.23105161 -0.01962540 0.00582839  -0.00053764 151 ARG   A HB3  
641  H  HG2  . ARG   A 39  ? 0.11224769 0.26415312 0.23987381 -0.03319832 0.00665812  -0.00557122 151 ARG   A HG2  
642  H  HG3  . ARG   A 39  ? 0.11192858 0.26405349 0.24065487 -0.03297294 0.00676897  -0.00595704 151 ARG   A HG3  
643  H  HD2  . ARG   A 39  ? 0.14570867 0.28691599 0.25669017 -0.05256790 0.01318731  -0.01749735 151 ARG   A HD2  
644  H  HD3  . ARG   A 39  ? 0.14892858 0.28773010 0.25538322 -0.05368430 0.01290739  -0.01640267 151 ARG   A HD3  
645  H  HE   . ARG   A 39  ? 0.18004140 0.29814684 0.26476443 -0.06183096 0.01800165  -0.02124861 151 ARG   A HE   
646  H  HH11 . ARG   A 39  ? 0.23658782 0.31591654 0.26863259 -0.04887342 0.01790357  -0.02181857 151 ARG   A HH11 
647  H  HH12 . ARG   A 39  ? 0.23347878 0.31529403 0.26728207 -0.04900090 0.01694505  -0.02129446 151 ARG   A HH12 
648  H  HH21 . ARG   A 39  ? 0.26093638 0.32895151 0.27534992 -0.05199229 0.00792412  -0.03023773 151 ARG   A HH21 
649  H  HH22 . ARG   A 39  ? 0.26131102 0.33124945 0.27351582 -0.05479239 0.00653213  -0.03014176 151 ARG   A HH22 
650  N  N    . GLY   A 40  ? 0.06848937 0.21175519 0.23186080 0.02794951  0.00484927  0.00615043  152 GLY   A N    
651  C  CA   . GLY   A 40  ? 0.05737791 0.22360392 0.23765233 0.02288593  0.00865787  0.00903991  152 GLY   A CA   
652  C  C    . GLY   A 40  ? 0.10659672 0.22311769 0.23970826 0.02096222  0.00681548  0.01278019  152 GLY   A C    
653  O  O    . GLY   A 40  ? 0.11411817 0.24344476 0.25211513 0.01482755  -0.00961623 0.01074646  152 GLY   A O    
654  H  H    . GLY   A 40  ? 0.06545331 0.21393317 0.22976017 0.02371364  0.00442393  0.00540084  152 GLY   A H    
655  H  HA2  . GLY   A 40  ? 0.05905473 0.22054502 0.23620938 0.02426040  0.00939359  0.00902071  152 GLY   A HA2  
656  H  HA3  . GLY   A 40  ? 0.06776727 0.22047542 0.23627675 0.02365340  0.00758629  0.00902060  152 GLY   A HA3  
657  N  N    . ASN   A 41  ? 0.09624676 0.21574552 0.23890598 0.00388833  0.00614841  0.02105536  153 ASN   A N    
658  C  CA   . ASN   A 41  ? 0.10369208 0.21402219 0.24585864 0.00771706  0.01825488  0.01289132  153 ASN   A CA   
659  C  C    . ASN   A 41  ? 0.08373386 0.21174707 0.25434873 0.01776921  0.01079859  0.00780077  153 ASN   A C    
660  O  O    . ASN   A 41  ? 0.10592660 0.21639718 0.27825239 0.01346867  0.03275570  0.00033106  153 ASN   A O    
661  C  CB   . ASN   A 41  ? 0.11037647 0.21872948 0.24570641 0.01616978  0.01757337  0.01482067  153 ASN   A CB   
662  C  CG   . ASN   A 41  ? 0.14970192 0.22166207 0.25866824 0.02112118  0.00538765  0.02437135  153 ASN   A CG   
663  O  OD1  . ASN   A 41  ? 0.15870306 0.23813817 0.27915707 0.01486596  0.02715860  0.00822999  153 ASN   A OD1  
664  N  ND2  . ASN   A 41  ? 0.14381362 0.23000848 0.28626797 0.02085918  0.01204416  0.02920906  153 ASN   A ND2  
665  H  H    . ASN   A 41  ? 0.09962245 0.21693876 0.24015135 0.00891265  0.00887746  0.01686903  153 ASN   A H    
666  H  HA   . ASN   A 41  ? 0.10025772 0.21525481 0.24623065 0.01075339  0.01442133  0.01400794  153 ASN   A HA   
667  H  HB2  . ASN   A 41  ? 0.11372571 0.21810509 0.24623731 0.01556184  0.01749560  0.01600128  153 ASN   A HB2  
668  H  HB3  . ASN   A 41  ? 0.11554979 0.21811175 0.24844828 0.01473525  0.01490139  0.01619942  153 ASN   A HB3  
669  H  HD21 . ASN   A 41  ? 0.14591381 0.22821915 0.27665746 0.02152667  0.01038458  0.02776458  153 ASN   A HD21 
670  H  HD22 . ASN   A 41  ? 0.14604056 0.22889291 0.27705061 0.02069246  0.01017158  0.02764465  153 ASN   A HD22 
671  N  N    . ASP   A 42  ? 0.05751370 0.21608761 0.23890984 0.02594808  0.02185665  -0.00372786 154 ASP   A N    
672  C  CA   . ASP   A 42  ? 0.02923704 0.22068149 0.23999767 0.02697341  0.00673766  -0.00379826 154 ASP   A CA   
673  C  C    . ASP   A 42  ? 0.06598008 0.22623760 0.24012566 0.01969130  -0.00087185 -0.00749642 154 ASP   A C    
674  O  O    . ASP   A 42  ? 0.07130545 0.23296110 0.25560689 0.02271191  -0.01140173 -0.01106599 154 ASP   A O    
675  C  CB   . ASP   A 42  ? 0.07893492 0.22160941 0.24213354 0.01558831  0.01133453  -0.00495630 154 ASP   A CB   
676  C  CG   . ASP   A 42  ? 0.08729913 0.24803013 0.25921628 0.00831791  0.00435479  -0.00339659 154 ASP   A CG   
677  O  OD1  . ASP   A 42  ? 0.10648906 0.26889226 0.25989276 0.02413416  -0.01017160 0.00491105  154 ASP   A OD1  
678  O  OD2  . ASP   A 42  ? 0.12506676 0.25104824 0.26955831 -0.00925598 0.01192583  -0.00877319 154 ASP   A OD2  
679  H  H    . ASP   A 42  ? 0.05684963 0.21424441 0.24219590 0.02477064  0.01596618  -0.00173985 154 ASP   A H    
680  H  HA   . ASP   A 42  ? 0.04856266 0.21743725 0.24039882 0.02646189  0.00799592  -0.00301388 154 ASP   A HA   
681  H  HB2  . ASP   A 42  ? 0.06793352 0.22717492 0.24491233 0.01659419  0.00875575  -0.00410198 154 ASP   A HB2  
682  H  HB3  . ASP   A 42  ? 0.06756382 0.22680056 0.24474807 0.01693242  0.00891472  -0.00423443 154 ASP   A HB3  
683  N  N    . VAL   A 43  ? 0.05163187 0.22111692 0.24162555 0.01185045  -0.00354079 -0.00361284 155 VAL   A N    
684  C  CA   . VAL   A 43  ? 0.05556567 0.21014732 0.23848721 -0.00256855 -0.00029071 -0.00513530 155 VAL   A CA   
685  C  C    . VAL   A 43  ? 0.04180691 0.20662218 0.23803972 -0.00031269 -0.00664118 -0.00213271 155 VAL   A C    
686  O  O    . VAL   A 43  ? 0.04083411 0.23263745 0.25337118 0.00437272  0.00527165  -0.00058448 155 VAL   A O    
687  C  CB   . VAL   A 43  ? 0.06893820 0.20911352 0.24493632 -0.00771655 -0.00220095 -0.00339961 155 VAL   A CB   
688  C  CG1  . VAL   A 43  ? 0.06969108 0.21038081 0.24772817 -0.01589471 -0.00223303 -0.02581562 155 VAL   A CG1  
689  C  CG2  . VAL   A 43  ? 0.08437442 0.21097773 0.25269482 -0.01530927 0.00509151  -0.00611158 155 VAL   A CG2  
690  H  H    . VAL   A 43  ? 0.05374894 0.21899799 0.24008453 0.01197099  -0.00299451 -0.00413071 155 VAL   A H    
691  H  HA   . VAL   A 43  ? 0.05673615 0.21182474 0.24022546 -0.00094222 -0.00218067 -0.00411053 155 VAL   A HA   
692  H  HB   . VAL   A 43  ? 0.06748620 0.20976128 0.24556591 -0.00887219 -0.00071894 -0.00819857 155 VAL   A HB   
693  H  HG11 . VAL   A 43  ? 0.07148737 0.21019760 0.24708429 -0.01433459 -0.00202377 -0.01944522 155 VAL   A HG11 
694  H  HG12 . VAL   A 43  ? 0.07051653 0.21000344 0.24728817 -0.01320898 -0.00268577 -0.01948513 155 VAL   A HG12 
695  H  HG13 . VAL   A 43  ? 0.07029301 0.20841445 0.24705353 -0.01375974 -0.00228786 -0.01963051 155 VAL   A HG13 
696  H  HG21 . VAL   A 43  ? 0.08054684 0.21062769 0.25068170 -0.01328144 0.00302823  -0.00529960 155 VAL   A HG21 
697  H  HG22 . VAL   A 43  ? 0.08051555 0.21066673 0.25181693 -0.01316167 0.00334480  -0.00528405 155 VAL   A HG22 
698  H  HG23 . VAL   A 43  ? 0.08376674 0.21124573 0.25085670 -0.01444559 0.00324093  -0.00546181 155 VAL   A HG23 
699  N  N    . ALA   A 44  ? 0.05391884 0.21281016 0.23686196 0.00249339  -0.00564961 0.00128394  156 ALA   A N    
700  C  CA   . ALA   A 44  ? 0.06059889 0.21466047 0.23850287 -0.00626014 -0.00929822 0.00085330  156 ALA   A CA   
701  C  C    . ALA   A 44  ? 0.06364016 0.21592617 0.24046247 -0.02281052 0.00025826  -0.00284932 156 ALA   A C    
702  O  O    . ALA   A 44  ? 0.06217586 0.22187871 0.25794104 -0.01694462 0.00544055  -0.00801630 156 ALA   A O    
703  C  CB   . ALA   A 44  ? 0.07039849 0.23199642 0.25609213 0.00479503  -0.01119775 0.00965372  156 ALA   A CB   
704  H  H    . ALA   A 44  ? 0.05230688 0.21174024 0.23765025 -0.00005403 -0.00660375 0.00032662  156 ALA   A H    
705  H  HA   . ALA   A 44  ? 0.05971509 0.21743755 0.24068241 -0.00627243 -0.00836019 0.00136563  156 ALA   A HA   
706  H  HB1  . ALA   A 44  ? 0.06827472 0.22708756 0.25291666 0.00140100  -0.01115675 0.00793491  156 ALA   A HB1  
707  H  HB2  . ALA   A 44  ? 0.06992465 0.22667924 0.25196886 0.00203660  -0.00937359 0.00725175  156 ALA   A HB2  
708  H  HB3  . ALA   A 44  ? 0.06919757 0.22759223 0.25183541 0.00271839  -0.01148201 0.00618547  156 ALA   A HB3  
709  N  N    . PHE   A 45  ? 0.05453375 0.20291260 0.22925431 -0.02535514 0.00499780  0.00228475  157 PHE   A N    
710  C  CA   . PHE   A 45  ? 0.04484401 0.20826334 0.22653434 -0.02314172 0.00074090  0.00140168  157 PHE   A CA   
711  C  C    . PHE   A 45  ? 0.05883275 0.19382328 0.23255053 -0.01531096 0.00197602  0.00099893  157 PHE   A C    
712  O  O    . PHE   A 45  ? 0.05483504 0.21545155 0.23573989 -0.01553874 0.00365764  -0.00091496 157 PHE   A O    
713  C  CB   . PHE   A 45  ? 0.04873310 0.21102290 0.23832966 -0.01934269 0.00212477  0.00524100  157 PHE   A CB   
714  C  CG   . PHE   A 45  ? 0.04014691 0.21087153 0.23486423 -0.01263469 0.00414555  0.00457620  157 PHE   A CG   
715  C  CD1  . PHE   A 45  ? 0.05835446 0.21888168 0.23206744 0.00340934  0.00313861  -0.00016008 157 PHE   A CD1  
716  C  CD2  . PHE   A 45  ? 0.07270391 0.21502633 0.23859000 0.01294574  0.00053317  0.00536208  157 PHE   A CD2  
717  C  CE1  . PHE   A 45  ? 0.07350305 0.23342346 0.24397437 0.01110834  0.00380871  0.00064672  157 PHE   A CE1  
718  C  CE2  . PHE   A 45  ? 0.06024495 0.21546203 0.23413393 0.01808077  -0.00903919 0.00540724  157 PHE   A CE2  
719  C  CZ   . PHE   A 45  ? 0.06848713 0.21289374 0.23703416 0.01323842  0.01134684  0.00097033  157 PHE   A CZ   
720  H  H    . PHE   A 45  ? 0.05274102 0.20701449 0.23089728 -0.02410154 0.00348771  0.00104585  157 PHE   A H    
721  H  HA   . PHE   A 45  ? 0.04716291 0.20509845 0.23049113 -0.02021992 0.00213857  0.00210144  157 PHE   A HA   
722  H  HB2  . PHE   A 45  ? 0.04659660 0.21077912 0.23469576 -0.01842913 0.00231521  0.00428024  157 PHE   A HB2  
723  H  HB3  . PHE   A 45  ? 0.04858400 0.21073924 0.23472670 -0.01890861 0.00217875  0.00424901  157 PHE   A HB3  
724  H  HD1  . PHE   A 45  ? 0.05633273 0.21929225 0.23464581 0.00120189  0.00302682  0.00149365  157 PHE   A HD1  
725  H  HD2  . PHE   A 45  ? 0.06170465 0.21453573 0.23655996 0.00702851  -0.00086433 0.00525599  157 PHE   A HD2  
726  H  HE1  . PHE   A 45  ? 0.07073549 0.22627166 0.23963293 0.00780219  0.00445856  0.00110219  157 PHE   A HE1  
727  H  HE2  . PHE   A 45  ? 0.06201263 0.21422826 0.23218639 0.01674788  -0.00507049 0.00585994  157 PHE   A HE2  
728  H  HZ   . PHE   A 45  ? 0.06731164 0.21780324 0.23637055 0.01375365  0.00489326  0.00155890  157 PHE   A HZ   
729  N  N    . HIS   A 46  ? 0.05823293 0.19890541 0.23641582 -0.00802603 0.00220204  0.00189885  158 HIS   A N    
730  C  CA   . HIS   A 46  ? 0.07362202 0.20718047 0.23516451 -0.01493816 0.01251160  0.00176011  158 HIS   A CA   
731  C  C    . HIS   A 46  ? 0.05703270 0.19379279 0.22136393 -0.01029003 0.00586668  -0.00514131 158 HIS   A C    
732  O  O    . HIS   A 46  ? 0.06048098 0.21747185 0.24922416 0.01561382  0.01569946  -0.00903673 158 HIS   A O    
733  C  CB   . HIS   A 46  ? 0.07523983 0.20804337 0.23193857 -0.01767177 0.00418238  0.00197149  158 HIS   A CB   
734  C  CG   . HIS   A 46  ? 0.09462246 0.19630073 0.24022023 -0.01362141 0.00629472  0.00351102  158 HIS   A CG   
735  N  ND1  . HIS   A 46  ? 0.10058684 0.19823886 0.24733716 -0.03022733 0.00673166  -0.00043557 158 HIS   A ND1  
736  C  CD2  . HIS   A 46  ? 0.10144667 0.20086110 0.25253922 -0.00336017 0.01607457  -0.00281685 158 HIS   A CD2  
737  C  CE1  . HIS   A 46  ? 0.12885606 0.21450315 0.25915653 -0.00973611 0.02281986  -0.00612948 158 HIS   A CE1  
738  N  NE2  . HIS   A 46  ? 0.13537931 0.19736919 0.24873094 -0.00610749 0.02005746  -0.00634429 158 HIS   A NE2  
739  H  H    . HIS   A 46  ? 0.05840478 0.19958615 0.23490323 -0.01167576 0.00370829  0.00164563  158 HIS   A H    
740  H  HA   . HIS   A 46  ? 0.07253776 0.20321628 0.23226736 -0.01333323 0.00758315  0.00016550  158 HIS   A HA   
741  H  HB2  . HIS   A 46  ? 0.07837410 0.20526972 0.23442057 -0.01607133 0.00651953  0.00189896  158 HIS   A HB2  
742  H  HB3  . HIS   A 46  ? 0.07551114 0.20529944 0.23447502 -0.01615390 0.00640083  0.00212188  158 HIS   A HB3  
743  H  HD1  . HIS   A 46  ? 0.18379661 0.18379661 0.18379661 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
744  H  HD2  . HIS   A 46  ? 0.10325778 0.19913104 0.24811713 -0.00673364 0.01583981  -0.00193147 158 HIS   A HD2  
745  H  HE1  . HIS   A 46  ? 0.12762944 0.20903686 0.25432396 -0.01077443 0.01727462  -0.00543840 158 HIS   A HE1  
746  H  HE2  . HIS   A 46  ? 0.19843753 0.19843753 0.19843753 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
747  N  N    . PHE   A 47  ? 0.04983610 0.21005736 0.22829615 -0.00752293 0.00593180  -0.01010317 159 PHE   A N    
748  C  CA   . PHE   A 47  ? 0.04949021 0.20564012 0.23229718 -0.00868584 0.01081099  -0.00285394 159 PHE   A CA   
749  C  C    . PHE   A 47  ? 0.06435934 0.20411368 0.23506841 -0.01795899 0.00525627  -0.01127910 159 PHE   A C    
750  O  O    . PHE   A 47  ? 0.05992557 0.19959801 0.25536606 -0.01883269 -0.00218755 -0.01007032 159 PHE   A O    
751  C  CB   . PHE   A 47  ? 0.04961789 0.20396563 0.23477739 -0.00607095 0.01576332  -0.00043996 159 PHE   A CB   
752  C  CG   . PHE   A 47  ? 0.05359673 0.20982243 0.23838784 -0.01592483 0.00455383  0.00200889  159 PHE   A CG   
753  C  CD1  . PHE   A 47  ? 0.06154197 0.22129945 0.23052622 -0.00679958 0.01609827  0.00348466  159 PHE   A CD1  
754  C  CD2  . PHE   A 47  ? 0.06336162 0.21733975 0.25420290 -0.01733327 -0.00721017 -0.00164764 159 PHE   A CD2  
755  C  CE1  . PHE   A 47  ? 0.08219346 0.22628464 0.23721614 -0.00495457 0.01325561  -0.00061610 159 PHE   A CE1  
756  C  CE2  . PHE   A 47  ? 0.08642408 0.22135147 0.26220900 -0.01256028 -0.00529745 -0.00529594 159 PHE   A CE2  
757  C  CZ   . PHE   A 47  ? 0.11256789 0.21786757 0.24616545 -0.00234103 -0.00039114 -0.00741285 159 PHE   A CZ   
758  H  H    . PHE   A 47  ? 0.05090594 0.20504318 0.22754462 -0.00852668 0.00745655  -0.00709224 159 PHE   A H    
759  H  HA   . PHE   A 47  ? 0.04967777 0.20595054 0.23256315 -0.00951209 0.01050450  -0.00533923 159 PHE   A HA   
760  H  HB2  . PHE   A 47  ? 0.05007000 0.20618239 0.23500302 -0.00856427 0.01235049  -0.00043393 159 PHE   A HB2  
761  H  HB3  . PHE   A 47  ? 0.04776330 0.20592970 0.23486389 -0.00840947 0.01318175  -0.00064734 159 PHE   A HB3  
762  H  HD1  . PHE   A 47  ? 0.06529065 0.21972518 0.23457605 -0.00794368 0.01293919  0.00239367  159 PHE   A HD1  
763  H  HD2  . PHE   A 47  ? 0.06695119 0.21645543 0.25211358 -0.01534380 -0.00413267 -0.00172056 159 PHE   A HD2  
764  H  HE1  . PHE   A 47  ? 0.08192825 0.22338341 0.23726279 -0.00544289 0.01178156  -0.00067396 159 PHE   A HE1  
765  H  HE2  . PHE   A 47  ? 0.08577336 0.21953017 0.25615534 -0.01130641 -0.00425948 -0.00473891 159 PHE   A HE2  
766  H  HZ   . PHE   A 47  ? 0.09806629 0.22060002 0.24644536 -0.00547140 0.00194647  -0.00538089 159 PHE   A HZ   
767  N  N    . ASN   A 48  ? 0.07931821 0.20679827 0.25438356 -0.00981147 0.02443228  -0.00423000 160 ASN   A N    
768  C  CA   . ASN   A 48  ? 0.08459325 0.20611288 0.25510168 0.00163184  0.00972923  -0.01088689 160 ASN   A CA   
769  C  C    . ASN   A 48  ? 0.09426278 0.20659788 0.24587950 0.01532623  -0.00481928 -0.01398091 160 ASN   A C    
770  O  O    . ASN   A 48  ? 0.08719407 0.21168739 0.25275934 0.00846919  0.01732306  -0.01579464 160 ASN   A O    
771  C  CB   . ASN   A 48  ? 0.08089742 0.21991378 0.25609449 0.00643417  0.00857479  -0.00708346 160 ASN   A CB   
772  C  CG   . ASN   A 48  ? 0.10747153 0.22532466 0.25955853 0.01499218  0.00073947  -0.00057184 160 ASN   A CG   
773  O  OD1  . ASN   A 48  ? 0.14939895 0.24584286 0.27529699 0.04197538  -0.02266260 -0.00945258 160 ASN   A OD1  
774  N  ND2  . ASN   A 48  ? 0.11959018 0.21482590 0.27937111 0.00352564  0.00723752  0.00324263  160 ASN   A ND2  
775  H  H    . ASN   A 48  ? 0.07435351 0.20584486 0.24861635 -0.00960335 0.01675538  -0.00728910 160 ASN   A H    
776  H  HA   . ASN   A 48  ? 0.08444219 0.20889255 0.25388393 0.00270848  0.00955690  -0.00947236 160 ASN   A HA   
777  H  HB2  . ASN   A 48  ? 0.08650187 0.21727401 0.25610724 0.00710688  0.00751846  -0.00687632 160 ASN   A HB2  
778  H  HB3  . ASN   A 48  ? 0.08210599 0.21772422 0.25672925 0.00632830  0.00710578  -0.00670943 160 ASN   A HB3  
779  H  HD21 . ASN   A 48  ? 0.11758287 0.21877234 0.27299491 0.00525405  0.00632086  0.00102617  160 ASN   A HD21 
780  H  HD22 . ASN   A 48  ? 0.11634811 0.21609822 0.27301684 0.00679837  0.00529458  0.00178154  160 ASN   A HD22 
781  N  N    . PRO   A 49  ? 0.06527465 0.21158558 0.23868503 0.01742758  0.00680156  -0.01389060 161 PRO   A N    
782  C  CA   . PRO   A 49  ? 0.08475217 0.22050530 0.25280985 0.01200070  -0.00084036 -0.01392010 161 PRO   A CA   
783  C  C    . PRO   A 49  ? 0.09659848 0.21257076 0.26113436 0.01954218  -0.00125592 -0.02188098 161 PRO   A C    
784  O  O    . PRO   A 49  ? 0.10484810 0.22225077 0.28855556 0.00823962  0.01495271  -0.00756986 161 PRO   A O    
785  C  CB   . PRO   A 49  ? 0.08696112 0.22983977 0.25814149 0.02642123  -0.00714191 -0.02157793 161 PRO   A CB   
786  C  CG   . PRO   A 49  ? 0.07905940 0.22746210 0.26154736 0.02958704  0.00036591  -0.01876131 161 PRO   A CG   
787  C  CD   . PRO   A 49  ? 0.06792457 0.21576378 0.26084381 0.02813205  0.00417441  -0.01913105 161 PRO   A CD   
788  H  HA   . PRO   A 49  ? 0.08325285 0.21898608 0.25253564 0.01707530  -0.00035392 -0.01657261 161 PRO   A HA   
789  H  HB2  . PRO   A 49  ? 0.08726378 0.22835237 0.25806317 0.02552786  -0.00448094 -0.01953273 161 PRO   A HB2  
790  H  HB3  . PRO   A 49  ? 0.08528037 0.22739761 0.25835735 0.02414837  -0.00431267 -0.01915696 161 PRO   A HB3  
791  H  HG2  . PRO   A 49  ? 0.07887975 0.22530481 0.26073027 0.02847307  -0.00022290 -0.01954021 161 PRO   A HG2  
792  H  HG3  . PRO   A 49  ? 0.07857799 0.22547233 0.26080427 0.02878175  -0.00055489 -0.01966166 161 PRO   A HG3  
793  H  HD2  . PRO   A 49  ? 0.07018294 0.21735370 0.25617063 0.02581879  0.00365002  -0.01798090 161 PRO   A HD2  
794  H  HD3  . PRO   A 49  ? 0.06975453 0.21681356 0.25539771 0.02534209  0.00408247  -0.01770536 161 PRO   A HD3  
795  N  N    . ARG   A 50  ? 0.08172399 0.22710687 0.27344739 0.02359033  0.00714848  -0.00654521 162 ARG   A N    
796  C  CA   . ARG   A 50  ? 0.07834954 0.22510098 0.28318098 0.02192847  -0.00937473 -0.02001693 162 ARG   A CA   
797  C  C    . ARG   A 50  ? 0.11889187 0.20927028 0.28207153 0.02884285  0.00232123  -0.02285035 162 ARG   A C    
798  O  O    . ARG   A 50  ? 0.12556227 0.22749656 0.28506231 0.01811382  0.00096417  -0.03393851 162 ARG   A O    
799  C  CB   . ARG   A 50  ? 0.07942065 0.22950600 0.28984755 0.04041768  -0.00918029 -0.01837648 162 ARG   A CB   
800  C  CG   . ARG   A 50  ? 0.09094810 0.23878664 0.28400320 0.03485737  -0.01139210 -0.01706166 162 ARG   A CG   
801  C  CD   . ARG   A 50  ? 0.08657960 0.24893311 0.29066253 0.03157913  -0.00771447 -0.02140927 162 ARG   A CD   
802  N  NE   . ARG   A 50  ? 0.11061796 0.24828526 0.29150492 0.03537676  -0.00616238 -0.03085024 162 ARG   A NE   
803  C  CZ   . ARG   A 50  ? 0.11782743 0.23542722 0.27928552 0.04214809  -0.01114299 -0.01487142 162 ARG   A CZ   
804  N  NH1  . ARG   A 50  ? 0.11460553 0.24243182 0.26248512 0.04688053  -0.02599044 -0.02440581 162 ARG   A NH1  
805  N  NH2  . ARG   A 50  ? 0.13390565 0.23640776 0.28323209 0.04001841  -0.02191740 -0.01797162 162 ARG   A NH2  
806  H  H    . ARG   A 50  ? 0.08180396 0.22215606 0.27115738 0.02066338  0.00314420  -0.01241926 162 ARG   A H    
807  H  HA   . ARG   A 50  ? 0.08564544 0.22342736 0.28202149 0.02623045  -0.00310979 -0.01732656 162 ARG   A HA   
808  H  HB2  . ARG   A 50  ? 0.08240391 0.23027954 0.28703284 0.03489566  -0.00976279 -0.01857432 162 ARG   A HB2  
809  H  HB3  . ARG   A 50  ? 0.08203121 0.22984630 0.28693673 0.03490317  -0.00966191 -0.01838852 162 ARG   A HB3  
810  H  HG2  . ARG   A 50  ? 0.08809295 0.23896107 0.28721106 0.03570496  -0.01054862 -0.01850821 162 ARG   A HG2  
811  H  HG3  . ARG   A 50  ? 0.08741208 0.23857693 0.28685451 0.03544094  -0.01004583 -0.01824227 162 ARG   A HG3  
812  H  HD2  . ARG   A 50  ? 0.09089017 0.24634808 0.28837368 0.03249492  -0.00684837 -0.02212003 162 ARG   A HD2  
813  H  HD3  . ARG   A 50  ? 0.09274214 0.24733134 0.28902525 0.03305258  -0.00801212 -0.02271310 162 ARG   A HD3  
814  H  HE   . ARG   A 50  ? 0.10848622 0.24618614 0.28815949 0.03470098  -0.00804050 -0.02433170 162 ARG   A HE   
815  H  HH11 . ARG   A 50  ? 0.11366011 0.24022843 0.26401657 0.04549944  -0.02386804 -0.02153687 162 ARG   A HH11 
816  H  HH12 . ARG   A 50  ? 0.11463922 0.23989010 0.26556003 0.04546772  -0.02135281 -0.02255327 162 ARG   A HH12 
817  H  HH21 . ARG   A 50  ? 0.12898958 0.23652151 0.28157759 0.04038163  -0.01871641 -0.01710765 162 ARG   A HH21 
818  H  HH22 . ARG   A 50  ? 0.13076657 0.23752725 0.28202778 0.03895574  -0.01849506 -0.01710057 162 ARG   A HH22 
819  N  N    . PHE   A 51  ? 0.12463345 0.22292019 0.29552731 0.01738786  -0.00136664 -0.02275668 163 PHE   A N    
820  C  CA   . PHE   A 51  ? 0.14374141 0.25348347 0.29965895 0.01453195  -0.01674573 -0.02498840 163 PHE   A CA   
821  C  C    . PHE   A 51  ? 0.18684977 0.24286823 0.30885488 0.01857720  -0.01533085 -0.03023009 163 PHE   A C    
822  O  O    . PHE   A 51  ? 0.22932822 0.23778033 0.31486547 0.02818166  -0.02459085 -0.04465429 163 PHE   A O    
823  C  CB   . PHE   A 51  ? 0.15140699 0.26769158 0.32100618 -0.01283837 -0.02702280 -0.02018623 163 PHE   A CB   
824  C  CG   . PHE   A 51  ? 0.14967039 0.30797499 0.34077179 -0.01287168 -0.03234993 -0.00259061 163 PHE   A CG   
825  C  CD1  . PHE   A 51  ? 0.14709198 0.31751469 0.33672130 0.01324226  -0.03198206 0.00221065  163 PHE   A CD1  
826  C  CD2  . PHE   A 51  ? 0.14878152 0.35112220 0.35925227 -0.02778977 -0.03006017 0.00589123  163 PHE   A CD2  
827  C  CE1  . PHE   A 51  ? 0.12418464 0.34371257 0.36026239 0.01119093  -0.01341892 0.00365086  163 PHE   A CE1  
828  C  CE2  . PHE   A 51  ? 0.13458765 0.35024124 0.35528535 -0.02675123 -0.04311569 0.00315170  163 PHE   A CE2  
829  C  CZ   . PHE   A 51  ? 0.11876899 0.36050424 0.36555880 -0.00875517 -0.02435683 0.01485646  163 PHE   A CZ   
830  H  H    . PHE   A 51  ? 0.12593397 0.22623956 0.29232478 0.01928271  -0.00315225 -0.02287998 163 PHE   A H    
831  H  HA   . PHE   A 51  ? 0.14799573 0.24754195 0.30429107 0.01145984  -0.01489725 -0.02487826 163 PHE   A HA   
832  H  HB2  . PHE   A 51  ? 0.14922293 0.27191007 0.31989327 -0.00589777 -0.02565403 -0.01806107 163 PHE   A HB2  
833  H  HB3  . PHE   A 51  ? 0.14944048 0.27143043 0.31889224 -0.00620784 -0.02565942 -0.01884783 163 PHE   A HB3  
834  H  HD1  . PHE   A 51  ? 0.14258812 0.31999347 0.33898738 0.00659850  -0.02887689 0.00157571  163 PHE   A HD1  
835  H  HD2  . PHE   A 51  ? 0.14608704 0.34184492 0.35574648 -0.02424247 -0.03442000 0.00566550  163 PHE   A HD2  
836  H  HE1  . PHE   A 51  ? 0.12898739 0.33951229 0.35455963 0.00713030  -0.02053164 0.00454932  163 PHE   A HE1  
837  H  HE2  . PHE   A 51  ? 0.13421905 0.35199320 0.35520715 -0.02214837 -0.03623181 0.00662059  163 PHE   A HE2  
838  H  HZ   . PHE   A 51  ? 0.12475836 0.35383207 0.36140704 -0.00847219 -0.02608594 0.00910674  163 PHE   A HZ   
839  N  N    . ASN   A 52  ? 0.18405132 0.25019571 0.32456753 0.04065263  -0.01628591 -0.03032887 164 ASN   A N    
840  C  CA   . ASN   A 52  ? 0.22473131 0.25918269 0.35608220 0.03820819  -0.02456304 -0.01266304 164 ASN   A CA   
841  C  C    . ASN   A 52  ? 0.21082127 0.26196927 0.35016310 0.04627686  -0.01867062 0.00300089  164 ASN   A C    
842  O  O    . ASN   A 52  ? 0.22581142 0.31502664 0.38692489 0.00846404  -0.03874172 0.03894243  164 ASN   A O    
843  C  CB   . ASN   A 52  ? 0.28361580 0.28744039 0.41991222 0.02131800  -0.03817748 -0.01826973 164 ASN   A CB   
844  C  CG   . ASN   A 52  ? 0.31246299 0.32723728 0.48572648 0.04194450  -0.04088286 -0.01398563 164 ASN   A CG   
845  O  OD1  . ASN   A 52  ? 0.34882638 0.40624925 0.51568484 0.04344307  -0.04306000 0.00421655  164 ASN   A OD1  
846  N  ND2  . ASN   A 52  ? 0.34743115 0.37163436 0.54691714 0.01051180  -0.06570040 -0.02406422 164 ASN   A ND2  
847  H  H    . ASN   A 52  ? 0.19129227 0.24881324 0.32324445 0.03499254  -0.01669320 -0.02810530 164 ASN   A H    
848  H  HA   . ASN   A 52  ? 0.22187804 0.26192811 0.35729089 0.03751343  -0.02409046 -0.01450103 164 ASN   A HA   
849  H  HB2  . ASN   A 52  ? 0.27318630 0.28667942 0.41578954 0.03008633  -0.03427141 -0.01559760 164 ASN   A HB2  
850  H  HB3  . ASN   A 52  ? 0.27390319 0.28680417 0.41716078 0.02992476  -0.03729868 -0.01540154 164 ASN   A HB3  
851  H  HD21 . ASN   A 52  ? 0.34145302 0.35889533 0.52563447 0.01980437  -0.05617394 -0.02052231 164 ASN   A HD21 
852  H  HD22 . ASN   A 52  ? 0.34207991 0.36826953 0.52629137 0.01384222  -0.05664972 -0.02075017 164 ASN   A HD22 
853  N  N    . GLU   A 53  ? 0.24260296 0.23926164 0.31495488 0.03666331  -0.02566562 -0.01594299 165 GLU   A N    
854  C  CA   . GLU   A 53  ? 0.25079438 0.26593572 0.29119802 0.04679883  -0.02202699 -0.01767690 165 GLU   A CA   
855  C  C    . GLU   A 53  ? 0.25701648 0.26503626 0.28006339 0.05874806  -0.03372529 -0.01318599 165 GLU   A C    
856  O  O    . GLU   A 53  ? 0.25354108 0.28476399 0.28664640 0.05954795  -0.03019192 -0.00711785 165 GLU   A O    
857  C  CB   . GLU   A 53  ? 0.24955578 0.27247116 0.30469584 0.05261415  0.00159601  -0.03809513 165 GLU   A CB   
858  C  CG   . GLU   A 53  ? 0.22636129 0.27615094 0.30701026 0.06157432  0.00756770  -0.03741632 165 GLU   A CG   
859  C  CD   . GLU   A 53  ? 0.23102447 0.28758472 0.32068917 0.04755646  0.01658182  -0.03841676 165 GLU   A CD   
860  O  OE1  . GLU   A 53  ? 0.20896508 0.31307000 0.33792612 0.03530652  0.00926477  -0.05119777 165 GLU   A OE1  
861  O  OE2  . GLU   A 53  ? 0.21622716 0.31215137 0.32961845 0.03731069  0.02131670  -0.04615062 165 GLU   A OE2  
862  H  H    . GLU   A 53  ? 0.23740670 0.24979518 0.31691486 0.04118687  -0.02315146 -0.01124151 165 GLU   A H    
863  H  HA   . GLU   A 53  ? 0.25012690 0.26145297 0.29557064 0.04779130  -0.02040018 -0.01872911 165 GLU   A HA   
864  H  HB2  . GLU   A 53  ? 0.24536940 0.27210528 0.30224514 0.05295853  -0.00283668 -0.03312404 165 GLU   A HB2  
865  H  HB3  . GLU   A 53  ? 0.24504048 0.27219993 0.30291647 0.05355300  -0.00325034 -0.03347590 165 GLU   A HB3  
866  H  HG2  . GLU   A 53  ? 0.22941235 0.27458042 0.30914909 0.05967528  0.00869418  -0.03818960 165 GLU   A HG2  
867  H  HG3  . GLU   A 53  ? 0.23174302 0.27738684 0.30889586 0.05685084  0.00879775  -0.03775607 165 GLU   A HG3  
868  N  N    . ASN   A 54  ? 0.29865074 0.27475482 0.28868335 0.06946150  -0.03384732 -0.00947268 166 ASN   A N    
869  C  CA   . ASN   A 54  ? 0.32379383 0.29397985 0.31462169 0.08459843  -0.03008672 -0.03033326 166 ASN   A CA   
870  C  C    . ASN   A 54  ? 0.30703622 0.26916656 0.30490100 0.08432917  -0.03897838 -0.02385724 166 ASN   A C    
871  O  O    . ASN   A 54  ? 0.31706434 0.26244119 0.31284928 0.09087435  -0.03074624 -0.03403976 166 ASN   A O    
872  C  CB   . ASN   A 54  ? 0.35360515 0.34859693 0.36640114 0.07836170  -0.04800476 -0.04922327 166 ASN   A CB   
873  C  CG   . ASN   A 54  ? 0.41257399 0.40820491 0.41885823 0.09592962  -0.02417167 -0.06468952 166 ASN   A CG   
874  O  OD1  . ASN   A 54  ? 0.43434715 0.53287137 0.53715444 0.07172640  -0.03287115 -0.07861988 166 ASN   A OD1  
875  N  ND2  . ASN   A 54  ? 0.46250269 0.40744680 0.43899968 0.09171224  -0.03727345 -0.04989248 166 ASN   A ND2  
876  H  H    . ASN   A 54  ? 0.29123574 0.27552551 0.29089308 0.06932849  -0.03244980 -0.01456790 166 ASN   A H    
877  H  HA   . ASN   A 54  ? 0.32091582 0.29496124 0.31633922 0.08057784  -0.03541303 -0.02822871 166 ASN   A HA   
878  H  HB2  . ASN   A 54  ? 0.35541603 0.34461939 0.36315021 0.08355522  -0.03840926 -0.04709109 166 ASN   A HB2  
879  H  HB3  . ASN   A 54  ? 0.35374010 0.34643024 0.36332884 0.08337873  -0.03847339 -0.04825161 166 ASN   A HB3  
880  H  HD21 . ASN   A 54  ? 0.44655871 0.40606362 0.43161294 0.09400257  -0.03678228 -0.05485236 166 ASN   A HD21 
881  H  HD22 . ASN   A 54  ? 0.44963729 0.41118789 0.43520129 0.08984765  -0.03677331 -0.05181098 166 ASN   A HD22 
882  N  N    . ASN   A 55  ? 0.31751508 0.25713062 0.30480933 0.08434086  -0.03818451 -0.01815468 167 ASN   A N    
883  C  CA   . ASN   A 55  ? 0.31803516 0.25540847 0.30331644 0.05960771  -0.04154151 -0.02924741 167 ASN   A CA   
884  C  C    . ASN   A 55  ? 0.32820818 0.27645880 0.30374148 0.05172291  -0.03155036 -0.02319470 167 ASN   A C    
885  O  O    . ASN   A 55  ? 0.41363555 0.32468268 0.30668426 0.04823357  -0.01753075 -0.02891619 167 ASN   A O    
886  C  CB   . ASN   A 55  ? 0.33788198 0.26507306 0.31869286 0.04847171  -0.03522050 -0.04550026 167 ASN   A CB   
887  C  CG   . ASN   A 55  ? 0.32761371 0.26175946 0.32607496 0.05316094  -0.04097957 -0.03486355 167 ASN   A CG   
888  O  OD1  . ASN   A 55  ? 0.39924568 0.25685430 0.35827285 0.07528578  -0.02472411 -0.00974838 167 ASN   A OD1  
889  N  ND2  . ASN   A 55  ? 0.30194020 0.25814044 0.32251391 0.04530431  -0.04915729 -0.00907157 167 ASN   A ND2  
890  H  H    . ASN   A 55  ? 0.31494445 0.25992173 0.30444854 0.07860055  -0.03916258 -0.02189458 167 ASN   A H    
891  H  HA   . ASN   A 55  ? 0.32061568 0.26162449 0.30741483 0.06047179  -0.03804719 -0.02854414 167 ASN   A HA   
892  H  HB2  . ASN   A 55  ? 0.33483970 0.26219642 0.31690821 0.05263352  -0.03724350 -0.03902771 167 ASN   A HB2  
893  H  HB3  . ASN   A 55  ? 0.33202031 0.26245859 0.31726173 0.05229427  -0.03761157 -0.03893624 167 ASN   A HB3  
894  H  HD21 . ASN   A 55  ? 0.30837649 0.25715044 0.31996313 0.04902582  -0.04826023 -0.01454427 167 ASN   A HD21 
895  H  HD22 . ASN   A 55  ? 0.30869240 0.25671786 0.32161170 0.04670243  -0.04576173 -0.01461872 167 ASN   A HD22 
896  N  N    A ARG   A 56  ? 0.30237198 0.26710802 0.29511485 0.05448712  -0.02801464 -0.01854267 168 ARG   A N    
897  N  N    B ARG   A 56  ? 0.29224414 0.26466295 0.30258361 0.06602138  -0.01544939 -0.01193695 168 ARG   A N    
898  C  CA   A ARG   A 56  ? 0.30335325 0.25586057 0.31246668 0.05798060  -0.03184541 -0.01621994 168 ARG   A CA   
899  C  CA   B ARG   A 56  ? 0.28312901 0.25830263 0.32557240 0.07967144  -0.01404699 -0.00333591 168 ARG   A CA   
900  C  C    A ARG   A 56  ? 0.26268148 0.25274575 0.28886431 0.04062874  -0.02992470 -0.01339827 168 ARG   A C    
901  C  C    B ARG   A 56  ? 0.24448958 0.25202820 0.29822475 0.05392280  -0.01875287 -0.00806817 168 ARG   A C    
902  O  O    A ARG   A 56  ? 0.25855523 0.26309955 0.28650135 0.04062937  -0.02319928 -0.00598530 168 ARG   A O    
903  O  O    B ARG   A 56  ? 0.22755779 0.26330930 0.29793009 0.05365448  -0.01047510 -0.00212120 168 ARG   A O    
904  C  CB   A ARG   A 56  ? 0.31525972 0.27253389 0.31063193 0.04814053  -0.04297847 -0.01108107 168 ARG   A CB   
905  C  CB   B ARG   A 56  ? 0.26606405 0.27339497 0.34148932 0.09505554  -0.00523172 0.01737325  168 ARG   A CB   
906  C  CG   A ARG   A 56  ? 0.33753139 0.30221614 0.32823429 0.05015603  -0.04679221 -0.00933746 168 ARG   A CG   
907  C  CG   B ARG   A 56  ? 0.28948659 0.31194729 0.35780299 0.10849278  0.00802292  0.01781988  168 ARG   A CG   
908  C  CD   A ARG   A 56  ? 0.35609245 0.32193196 0.33950385 0.03625510  -0.05738857 -0.00815797 168 ARG   A CD   
909  C  CD   B ARG   A 56  ? 0.30019259 0.34568524 0.37226731 0.11376059  0.00102100  0.01808392  168 ARG   A CD   
910  N  NE   A ARG   A 56  ? 0.38703561 0.34241194 0.37991345 0.04043821  -0.04668850 -0.02248614 168 ARG   A NE   
911  N  NE   B ARG   A 56  ? 0.33082277 0.39345106 0.39829412 0.12668869  0.01292435  0.01129628  168 ARG   A NE   
912  C  CZ   A ARG   A 56  ? 0.38460392 0.36258730 0.40729088 0.03301504  -0.07527150 -0.01538640 168 ARG   A CZ   
913  C  CZ   B ARG   A 56  ? 0.34294596 0.41432035 0.41040862 0.14404243  0.00368204  0.01979533  168 ARG   A CZ   
914  N  NH1  A ARG   A 56  ? 0.42654711 0.36213592 0.44598711 0.02320542  -0.06653090 -0.02099371 168 ARG   A NH1  
915  N  NH1  B ARG   A 56  ? 0.36357260 0.43819290 0.44733348 0.14903945  0.01487081  0.01614892  168 ARG   A NH1  
916  N  NH2  A ARG   A 56  ? 0.37905985 0.37602389 0.43015927 0.02978170  -0.07756610 -0.00721654 168 ARG   A NH2  
917  N  NH2  B ARG   A 56  ? 0.34218186 0.43556124 0.43107906 0.13881135  -0.00116380 0.01648906  168 ARG   A NH2  
918  H  H    A ARG   A 56  ? 0.30816853 0.26652431 0.29733145 0.05519859  -0.02921532 -0.01945554 168 ARG   A H    
919  H  H    B ARG   A 56  ? 0.29879177 0.26586291 0.30464020 0.06604149  -0.01918218 -0.01315729 168 ARG   A H    
920  H  HA   A ARG   A 56  ? 0.29706195 0.26067892 0.30793247 0.05224281  -0.03231226 -0.01435480 168 ARG   A HA   
921  H  HA   B ARG   A 56  ? 0.27477938 0.26110095 0.32079667 0.07434947  -0.01333261 -0.00158875 168 ARG   A HA   
922  H  HB2  A ARG   A 56  ? 0.31668895 0.27446559 0.31297800 0.05100656  -0.04077998 -0.01214831 168 ARG   A HB2  
923  H  HB2  B ARG   A 56  ? 0.27500242 0.27641487 0.34165540 0.09443130  -0.00427004 0.01331001  168 ARG   A HB2  
924  H  HB3  A ARG   A 56  ? 0.31699646 0.27338195 0.31370693 0.05070922  -0.04080944 -0.01092574 168 ARG   A HB3  
925  H  HB3  B ARG   A 56  ? 0.27484226 0.27369541 0.33973148 0.09435043  -0.00453578 0.01443425  168 ARG   A HB3  
926  H  HG2  A ARG   A 56  ? 0.33594248 0.29976946 0.32764319 0.04692682  -0.04787327 -0.00860846 168 ARG   A HG2  
927  H  HG2  B ARG   A 56  ? 0.28569356 0.30906168 0.35681790 0.10670786  0.00319806  0.01779625  168 ARG   A HG2  
928  H  HG3  A ARG   A 56  ? 0.33581680 0.29927146 0.32724780 0.04700802  -0.04793548 -0.01002267 168 ARG   A HG3  
929  H  HG3  B ARG   A 56  ? 0.28564626 0.31004372 0.35723767 0.10690439  0.00365427  0.01885637  168 ARG   A HG3  
930  H  HD2  A ARG   A 56  ? 0.35804164 0.32072899 0.34384555 0.04035384  -0.05268699 -0.01180013 168 ARG   A HD2  
931  H  HD2  B ARG   A 56  ? 0.30359745 0.34525472 0.37299067 0.11484115  0.00519190  0.01641504  168 ARG   A HD2  
932  H  HD3  A ARG   A 56  ? 0.35806537 0.32011616 0.34229869 0.04045040  -0.05254034 -0.00982451 168 ARG   A HD3  
933  H  HD3  B ARG   A 56  ? 0.30361515 0.34631512 0.37362859 0.11521969  0.00530959  0.01656699  168 ARG   A HD3  
934  H  HE   A ARG   A 56  ? 0.37864485 0.34327176 0.37554276 0.03822827  -0.05573131 -0.01736063 168 ARG   A HE   
935  H  HE   B ARG   A 56  ? 0.32646936 0.38637203 0.39412946 0.12869495  0.00738037  0.01437449  168 ARG   A HE   
936  H  HH11 A ARG   A 56  ? 0.41908976 0.36254171 0.43338254 0.02781050  -0.06979515 -0.01914177 168 ARG   A HH11 
937  H  HH11 B ARG   A 56  ? 0.35764092 0.43525541 0.43510088 0.14666630  0.01135571  0.01721486  168 ARG   A HH11 
938  H  HH12 A ARG   A 56  ? 0.41422334 0.36175716 0.43334180 0.02660199  -0.06932656 -0.01903716 168 ARG   A HH12 
939  H  HH12 B ARG   A 56  ? 0.35860288 0.43349180 0.43524286 0.14917502  0.01088099  0.01684192  168 ARG   A HH12 
940  H  HH21 A ARG   A 56  ? 0.37991175 0.37201026 0.42290956 0.03039086  -0.07670400 -0.00968874 168 ARG   A HH21 
941  H  HH21 B ARG   A 56  ? 0.34319365 0.43330127 0.42460188 0.13904954  0.00040323  0.01757534  168 ARG   A HH21 
942  H  HH22 A ARG   A 56  ? 0.38148201 0.37290353 0.42292190 0.02980893  -0.07684161 -0.00963622 168 ARG   A HH22 
943  H  HH22 B ARG   A 56  ? 0.34356150 0.42997667 0.42464215 0.13997394  0.00021957  0.01765155  168 ARG   A HH22 
944  N  N    . ARG   A 57  ? 0.22030893 0.22836700 0.28007758 0.03775334  -0.02378058 -0.01948006 169 ARG   A N    
945  C  CA   . ARG   A 57  ? 0.21645004 0.22668482 0.28434849 0.03407486  -0.02563421 -0.01889203 169 ARG   A CA   
946  C  C    . ARG   A 57  ? 0.16476214 0.23437180 0.27843186 0.03220635  -0.00504367 -0.02286907 169 ARG   A C    
947  O  O    . ARG   A 57  ? 0.22591795 0.26230133 0.30015090 -0.00428213 0.03227210  -0.02522986 169 ARG   A O    
948  C  CB   . ARG   A 57  ? 0.22379582 0.23215924 0.30635884 0.04614367  -0.04068808 -0.01419958 169 ARG   A CB   
949  C  CG   . ARG   A 57  ? 0.26011744 0.25669372 0.33382478 0.03875475  -0.04674622 -0.02285615 169 ARG   A CG   
950  C  CD   . ARG   A 57  ? 0.25415561 0.28068393 0.35091084 0.05308278  -0.04929528 -0.02027417 169 ARG   A CD   
951  N  NE   . ARG   A 57  ? 0.26424280 0.30216354 0.32679629 0.04793628  -0.05413808 -0.02781263 169 ARG   A NE   
952  C  CZ   . ARG   A 57  ? 0.26677829 0.33544737 0.34441990 0.05280156  -0.04834311 -0.01412611 169 ARG   A CZ   
953  N  NH1  . ARG   A 57  ? 0.27407977 0.36319208 0.29973859 0.07014494  -0.03973681 -0.02376654 169 ARG   A NH1  
954  N  NH2  . ARG   A 57  ? 0.26678300 0.38867259 0.37928751 0.05283636  -0.03827822 0.00079581  169 ARG   A NH2  
955  H  H    . ARG   A 57  ? 0.23146239 0.23661856 0.28284180 0.04117466  -0.02290082 -0.01626565 169 ARG   A H    
956  H  HA   . ARG   A 57  ? 0.20755051 0.23011085 0.28702521 0.03682799  -0.02389064 -0.01906069 169 ARG   A HA   
957  H  HB2  . ARG   A 57  ? 0.23008192 0.23738267 0.30640659 0.04233288  -0.03795517 -0.01713918 169 ARG   A HB2  
958  H  HB3  . ARG   A 57  ? 0.22643465 0.23417693 0.30580240 0.04399894  -0.03718287 -0.01764655 169 ARG   A HB3  
959  H  HG2  . ARG   A 57  ? 0.25004241 0.25617462 0.33165312 0.04360934  -0.04624493 -0.02087294 169 ARG   A HG2  
960  H  HG3  . ARG   A 57  ? 0.25303024 0.25875455 0.33129609 0.04191368  -0.04706636 -0.01889098 169 ARG   A HG3  
961  H  HD2  . ARG   A 57  ? 0.25741616 0.28117925 0.34138966 0.04916085  -0.04913066 -0.02255426 169 ARG   A HD2  
962  H  HD3  . ARG   A 57  ? 0.25832868 0.28293225 0.34240240 0.04886588  -0.04981253 -0.02185978 169 ARG   A HD3  
963  H  HE   . ARG   A 57  ? 0.26314634 0.30367196 0.33537868 0.05061674  -0.05148555 -0.02283013 169 ARG   A HE   
964  H  HH11 . ARG   A 57  ? 0.27083308 0.35439569 0.31374156 0.06525828  -0.04328645 -0.02006049 169 ARG   A HH11 
965  H  HH12 . ARG   A 57  ? 0.27414489 0.35396945 0.31394011 0.06549735  -0.04308163 -0.02079605 169 ARG   A HH12 
966  H  HH21 . ARG   A 57  ? 0.26940429 0.37041089 0.36809957 0.05163055  -0.03934210 -0.00632389 169 ARG   A HH21 
967  H  HH22 . ARG   A 57  ? 0.26747024 0.36944243 0.36880437 0.05340741  -0.04209810 -0.00749429 169 ARG   A HH22 
968  N  N    . VAL   A 58  ? 0.11853297 0.23170255 0.28686750 0.03828399  -0.00700965 -0.02084052 170 VAL   A N    
969  C  CA   . VAL   A 58  ? 0.11499667 0.22957037 0.29448169 0.03935962  0.00498970  -0.02455541 170 VAL   A CA   
970  C  C    . VAL   A 58  ? 0.11025266 0.21945219 0.27246022 0.03800970  0.00306357  -0.01655618 170 VAL   A C    
971  O  O    . VAL   A 58  ? 0.13032985 0.22617191 0.31761327 0.01202581  0.02637468  -0.02134389 170 VAL   A O    
972  C  CB   . VAL   A 58  ? 0.12117940 0.24903765 0.31838977 0.05590890  -0.00288452 -0.03121087 170 VAL   A CB   
973  C  CG1  . VAL   A 58  ? 0.12825029 0.26215488 0.30725414 0.06401837  -0.00498013 -0.03538408 170 VAL   A CG1  
974  C  CG2  . VAL   A 58  ? 0.12777744 0.26737165 0.33924580 0.04359814  -0.00380645 -0.02976584 170 VAL   A CG2  
975  H  H    . VAL   A 58  ? 0.12731889 0.23152013 0.28586942 0.03657309  -0.00292112 -0.02168337 170 VAL   A H    
976  H  HA   . VAL   A 58  ? 0.11619637 0.23107095 0.29176468 0.04125915  0.00127372  -0.02310064 170 VAL   A HA   
977  H  HB   . VAL   A 58  ? 0.12183128 0.25003153 0.31461477 0.05295817  -0.00111096 -0.03128546 170 VAL   A HB   
978  H  HG11 . VAL   A 58  ? 0.12599666 0.25788850 0.31020090 0.06170199  -0.00391750 -0.03401265 170 VAL   A HG11 
979  H  HG12 . VAL   A 58  ? 0.12676978 0.25956941 0.31047705 0.06259683  -0.00400311 -0.03357492 170 VAL   A HG12 
980  H  HG13 . VAL   A 58  ? 0.12608883 0.25856757 0.31038725 0.06187913  -0.00445727 -0.03394208 170 VAL   A HG13 
981  H  HG21 . VAL   A 58  ? 0.12817575 0.26265776 0.33428013 0.04612069  -0.00246393 -0.03044484 170 VAL   A HG21 
982  H  HG22 . VAL   A 58  ? 0.12720606 0.26302004 0.33437008 0.04680979  -0.00404722 -0.03047533 170 VAL   A HG22 
983  H  HG23 . VAL   A 58  ? 0.12758745 0.26403949 0.33388230 0.04499318  -0.00469658 -0.02838437 170 VAL   A HG23 
984  N  N    . ILE   A 59  ? 0.07926727 0.22312032 0.26755264 0.02396779  0.00064758  -0.01802398 171 ILE   A N    
985  C  CA   . ILE   A 59  ? 0.09104011 0.23760575 0.27816635 0.02743574  -0.00385129 -0.02606988 171 ILE   A CA   
986  C  C    . ILE   A 59  ? 0.07029594 0.23157302 0.26176572 0.02063103  0.00729597  -0.01725518 171 ILE   A C    
987  O  O    . ILE   A 59  ? 0.08816275 0.28093654 0.27062207 -0.00696175 0.02148468  -0.03117800 171 ILE   A O    
988  C  CB   . ILE   A 59  ? 0.14436327 0.25167632 0.29849660 0.03465518  -0.01427939 -0.02845597 171 ILE   A CB   
989  C  CG1  . ILE   A 59  ? 0.22349337 0.29517090 0.31997249 0.03793914  -0.00906114 -0.04650357 171 ILE   A CG1  
990  C  CG2  . ILE   A 59  ? 0.13367407 0.24929173 0.31489030 0.05903493  -0.03377577 -0.02409602 171 ILE   A CG2  
991  C  CD1  . ILE   A 59  ? 0.23275277 0.30771655 0.32457158 0.01912227  -0.01405345 -0.06507058 171 ILE   A CD1  
992  H  H    . ILE   A 59  ? 0.08659565 0.22548270 0.26897797 0.02701022  0.00305858  -0.01853269 171 ILE   A H    
993  H  HA   . ILE   A 59  ? 0.09317343 0.23541313 0.27595335 0.02690508  -0.00263139 -0.02311538 171 ILE   A HA   
994  H  HB   . ILE   A 59  ? 0.14062144 0.25491908 0.29967079 0.03760199  -0.01424045 -0.02956982 171 ILE   A HB   
995  H  HG12 . ILE   A 59  ? 0.20230833 0.28764915 0.31527317 0.03125699  -0.01230584 -0.04393653 171 ILE   A HG12 
996  H  HG13 . ILE   A 59  ? 0.20320524 0.28906626 0.31635472 0.03321725  -0.01185570 -0.04725321 171 ILE   A HG13 
997  H  HG21 . ILE   A 59  ? 0.13736600 0.24864903 0.30922437 0.05241971  -0.02832631 -0.02445161 171 ILE   A HG21 
998  H  HG22 . ILE   A 59  ? 0.13974014 0.25072855 0.30987379 0.05273440  -0.02846942 -0.02584488 171 ILE   A HG22 
999  H  HG23 . ILE   A 59  ? 0.13710867 0.24977568 0.30962104 0.05195563  -0.02784712 -0.02518764 171 ILE   A HG23 
1000 H  HD11 . ILE   A 59  ? 0.22974195 0.30599841 0.32360643 0.02366313  -0.01376997 -0.05813928 171 ILE   A HD11 
1001 H  HD12 . ILE   A 59  ? 0.22981162 0.30481863 0.32253051 0.02459596  -0.01315055 -0.05955452 171 ILE   A HD12 
1002 H  HD13 . ILE   A 59  ? 0.22966185 0.30644330 0.32398456 0.02493022  -0.01310680 -0.06051419 171 ILE   A HD13 
1003 N  N    . VAL   A 60  ? 0.05251396 0.22750388 0.26181710 0.01513601  -0.00117309 -0.02231436 172 VAL   A N    
1004 C  CA   . VAL   A 60  ? 0.04179866 0.23105915 0.25646776 0.01632714  0.01026383  -0.01833964 172 VAL   A CA   
1005 C  C    . VAL   A 60  ? 0.02524643 0.21925378 0.25761852 0.00482141  0.00476242  -0.01248191 172 VAL   A C    
1006 O  O    . VAL   A 60  ? 0.02447302 0.26016232 0.28759527 0.00668480  0.01032700  -0.02252533 172 VAL   A O    
1007 C  CB   . VAL   A 60  ? 0.07273498 0.24160707 0.26142681 0.00466768  0.02669883  -0.00618420 172 VAL   A CB   
1008 C  CG1  . VAL   A 60  ? 0.09903838 0.26010346 0.25489759 0.00766773  0.02519277  0.00298070  172 VAL   A CG1  
1009 C  CG2  . VAL   A 60  ? 0.11049267 0.24460569 0.28601342 0.01955362  0.01571800  -0.00205265 172 VAL   A CG2  
1010 H  H    . VAL   A 60  ? 0.05301435 0.22902316 0.26076308 0.01618816  0.00351117  -0.02020922 172 VAL   A H    
1011 H  HA   . VAL   A 60  ? 0.04420307 0.22964013 0.25843537 0.01141148  0.01013290  -0.01589132 172 VAL   A HA   
1012 H  HB   . VAL   A 60  ? 0.07004306 0.24248016 0.26275620 0.00888386  0.02253716  -0.00603778 172 VAL   A HB   
1013 H  HG11 . VAL   A 60  ? 0.09646260 0.25512323 0.25746825 0.00826658  0.02426292  0.00009229  172 VAL   A HG11 
1014 H  HG12 . VAL   A 60  ? 0.09240203 0.25615177 0.25779843 0.00574017  0.02446707  0.00126006  172 VAL   A HG12 
1015 H  HG13 . VAL   A 60  ? 0.09204821 0.25462303 0.25723505 0.00687256  0.02519274  0.00043704  172 VAL   A HG13 
1016 H  HG21 . VAL   A 60  ? 0.10048704 0.24451137 0.27913946 0.01566793  0.01877827  -0.00399022 172 VAL   A HG21 
1017 H  HG22 . VAL   A 60  ? 0.10094862 0.24423604 0.28047144 0.01607687  0.02004246  -0.00280864 172 VAL   A HG22 
1018 H  HG23 . VAL   A 60  ? 0.10845765 0.24469468 0.27950439 0.01731463  0.01650577  -0.00412115 172 VAL   A HG23 
1019 N  N    . CYS   A 61  ? 0.03372036 0.22422998 0.25004527 -0.00107162 0.01044540  -0.01567898 173 CYS   A N    
1020 C  CA   . CYS   A 61  ? 0.03553879 0.22377269 0.25123459 0.00662511  0.00955129  -0.01498750 173 CYS   A CA   
1021 C  C    . CYS   A 61  ? 0.04862660 0.21942623 0.23723610 0.00141321  0.01005743  -0.01559503 173 CYS   A C    
1022 O  O    . CYS   A 61  ? 0.05104467 0.24891727 0.25850862 0.01560224  0.01063731  0.00060530  173 CYS   A O    
1023 C  CB   . CYS   A 61  ? 0.08804532 0.22487815 0.26086095 0.01168243  -0.00477295 -0.01032753 173 CYS   A CB   
1024 S  SG   . CYS   A 61  ? 0.12561171 0.25772840 0.26935819 0.02355738  -0.03323036 -0.01341333 173 CYS   A SG   
1025 H  H    . CYS   A 61  ? 0.03303371 0.22305059 0.25228184 0.00220553  0.00870347  -0.01475650 173 CYS   A H    
1026 H  HA   . CYS   A 61  ? 0.03692491 0.22308876 0.24941649 0.00406420  0.00940157  -0.01420957 173 CYS   A HA   
1027 H  HB2  . CYS   A 61  ? 0.08485858 0.22970253 0.25988108 0.01287799  -0.00715560 -0.01221833 173 CYS   A HB2  
1028 H  HB3  . CYS   A 61  ? 0.08009245 0.22933309 0.25921512 0.01244994  -0.00571325 -0.01219529 173 CYS   A HB3  
1029 H  HG   . CYS   A 61  ? 0.22129811 0.22129811 0.22129811 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
1030 N  N    . ASN   A 62  ? 0.05328451 0.20435677 0.23225887 0.00644905  -0.00474182 -0.01378431 174 ASN   A N    
1031 C  CA   . ASN   A 62  ? 0.06806849 0.20834394 0.23142099 0.01467470  -0.00813172 -0.01238034 174 ASN   A CA   
1032 C  C    . ASN   A 62  ? 0.06452375 0.20064682 0.22826689 0.01333475  -0.01321578 -0.01002612 174 ASN   A C    
1033 O  O    . ASN   A 62  ? 0.05202188 0.22778948 0.23097436 0.01543505  -0.00840405 -0.01352193 174 ASN   A O    
1034 C  CB   . ASN   A 62  ? 0.08098127 0.21546373 0.24058832 0.01908262  -0.01351142 -0.00784472 174 ASN   A CB   
1035 C  CG   . ASN   A 62  ? 0.06361188 0.21722440 0.24085745 0.01814966  -0.00772823 -0.00350489 174 ASN   A CG   
1036 O  OD1  . ASN   A 62  ? 0.08080234 0.22136208 0.25672665 0.01933645  -0.01323189 0.00712810  174 ASN   A OD1  
1037 N  ND2  . ASN   A 62  ? 0.09023165 0.23209698 0.25794265 0.00397025  -0.03724281 0.00709548  174 ASN   A ND2  
1038 H  H    . ASN   A 62  ? 0.05323357 0.20871840 0.23338753 0.00754221  -0.00211425 -0.01384223 174 ASN   A H    
1039 H  HA   . ASN   A 62  ? 0.06763082 0.20780471 0.23282044 0.01409342  -0.00940892 -0.01137653 174 ASN   A HA   
1040 H  HB2  . ASN   A 62  ? 0.07424823 0.21479170 0.23918653 0.01776484  -0.01117011 -0.00757395 174 ASN   A HB2  
1041 H  HB3  . ASN   A 62  ? 0.07756870 0.21450736 0.23990752 0.01880469  -0.01311043 -0.00843985 174 ASN   A HB3  
1042 H  HD21 . ASN   A 62  ? 0.08137524 0.22755586 0.25212833 0.00909462  -0.02738610 0.00366194  174 ASN   A HD21 
1043 H  HD22 . ASN   A 62  ? 0.08050942 0.22764097 0.25159687 0.00913891  -0.02813831 0.00369054  174 ASN   A HD22 
1044 N  N    . THR   A 63  ? 0.06186004 0.23174195 0.21834195 0.01519269  -0.00759742 -0.00868091 175 THR   A N    
1045 C  CA   . THR   A 63  ? 0.06532764 0.22990060 0.22135699 0.00163485  -0.00213769 -0.00643674 175 THR   A CA   
1046 C  C    . THR   A 63  ? 0.07505786 0.23821619 0.23179227 0.01236993  -0.00273752 0.00286331  175 THR   A C    
1047 O  O    . THR   A 63  ? 0.08199011 0.23143990 0.23788723 0.01870518  0.00176568  0.01393798  175 THR   A O    
1048 C  CB   . THR   A 63  ? 0.05295156 0.24394383 0.23223336 -0.01751734 -0.00048932 -0.00429810 175 THR   A CB   
1049 O  OG1  . THR   A 63  ? 0.06773566 0.23454584 0.24060488 -0.01580973 0.00119065  0.01035639  175 THR   A OG1  
1050 C  CG2  . THR   A 63  ? 0.07308970 0.26803464 0.22921336 -0.02813067 0.00074538  -0.00681826 175 THR   A CG2  
1051 H  H    . THR   A 63  ? 0.06169901 0.22309023 0.22184682 0.01258114  -0.00807816 -0.00823043 175 THR   A H    
1052 H  HA   . THR   A 63  ? 0.06542248 0.23405574 0.22481422 0.00268418  -0.00265444 -0.00493586 175 THR   A HA   
1053 H  HB   . THR   A 63  ? 0.05567568 0.24348392 0.23119776 -0.01402313 -0.00067298 -0.00218740 175 THR   A HB   
1054 H  HG1  . THR   A 63  ? 0.18320136 0.18320136 0.18320136 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1055 H  HG21 . THR   A 63  ? 0.06896238 0.26216328 0.23053363 -0.02393985 0.00044141  -0.00613320 175 THR   A HG21 
1056 H  HG22 . THR   A 63  ? 0.07317340 0.26109281 0.23064536 -0.02578913 0.00061383  -0.00608024 175 THR   A HG22 
1057 H  HG23 . THR   A 63  ? 0.06877653 0.26132613 0.23140828 -0.02453206 0.00056326  -0.00640991 175 THR   A HG23 
1058 N  N    . LYS   A 64  ? 0.07869527 0.23486015 0.22789112 0.01354959  0.00110622  0.00776044  176 LYS   A N    
1059 C  CA   . LYS   A 64  ? 0.07449758 0.25043389 0.23364256 0.01793191  -0.00165942 0.00156058  176 LYS   A CA   
1060 C  C    . LYS   A 64  ? 0.07324001 0.25129542 0.23155659 0.01711089  -0.00763150 0.00524464  176 LYS   A C    
1061 O  O    . LYS   A 64  ? 0.05389265 0.28016496 0.25271642 0.02329640  -0.00755201 -0.00811183 176 LYS   A O    
1062 C  CB   . LYS   A 64  ? 0.11412919 0.25775418 0.24950030 0.01057947  0.00960729  -0.00017065 176 LYS   A CB   
1063 C  CG   . LYS   A 64  ? 0.15829249 0.29202935 0.26245630 0.00816873  0.01395305  0.00675881  176 LYS   A CG   
1064 C  CD   . LYS   A 64  ? 0.20407867 0.32943234 0.31167614 -0.02668530 0.00599226  0.01210093  176 LYS   A CD   
1065 C  CE   . LYS   A 64  ? 0.27878195 0.36562496 0.36036053 -0.03172875 -0.00320016 0.01278478  176 LYS   A CE   
1066 N  NZ   . LYS   A 64  ? 0.30509746 0.40671065 0.39322251 -0.06184303 -0.00532747 -0.00032009 176 LYS   A NZ   
1067 H  H    . LYS   A 64  ? 0.07676304 0.23900007 0.22998329 0.01400075  -0.00043260 0.00502768  176 LYS   A H    
1068 H  HA   . LYS   A 64  ? 0.07784765 0.24740915 0.23457821 0.01804662  -0.00101619 0.00349175  176 LYS   A HA   
1069 H  HB2  . LYS   A 64  ? 0.11116075 0.26160330 0.24718842 0.01196521  0.00755995  0.00129596  176 LYS   A HB2  
1070 H  HB3  . LYS   A 64  ? 0.11147982 0.26204640 0.24731855 0.01118573  0.00729230  0.00159966  176 LYS   A HB3  
1071 H  HG2  . LYS   A 64  ? 0.15324098 0.28858304 0.26745585 0.00245593  0.01130689  0.00606107  176 LYS   A HG2  
1072 H  HG3  . LYS   A 64  ? 0.15298943 0.28818664 0.26754105 0.00299721  0.01150403  0.00589176  176 LYS   A HG3  
1073 H  HD2  . LYS   A 64  ? 0.20490989 0.32561177 0.30816081 -0.01846972 0.00669490  0.01141503  176 LYS   A HD2  
1074 H  HD3  . LYS   A 64  ? 0.20720835 0.32765514 0.30810148 -0.02049697 0.00497030  0.01231600  176 LYS   A HD3  
1075 H  HE2  . LYS   A 64  ? 0.26305598 0.36333051 0.35627884 -0.03526880 0.00055812  0.01120949  176 LYS   A HE2  
1076 H  HE3  . LYS   A 64  ? 0.26414314 0.36514744 0.35446286 -0.03770518 -0.00174058 0.01135679  176 LYS   A HE3  
1077 H  HZ1  . LYS   A 64  ? 0.29798102 0.39733016 0.38451976 -0.05479676 -0.00657600 0.00643957  176 LYS   A HZ1  
1078 H  HZ2  . LYS   A 64  ? 0.29598260 0.39443386 0.38579115 -0.05179725 -0.00327062 0.00475753  176 LYS   A HZ2  
1079 H  HZ3  . LYS   A 64  ? 0.29669267 0.40050593 0.38572958 -0.05262858 -0.00451820 0.00090710  176 LYS   A HZ3  
1080 N  N    . LEU   A 65  ? 0.03879904 0.25282186 0.24714218 0.02067076  -0.00571086 0.00099827  177 LEU   A N    
1081 C  CA   . LEU   A 65  ? 0.05367766 0.27386644 0.24530271 0.02437889  -0.00679289 -0.00937248 177 LEU   A CA   
1082 C  C    . LEU   A 65  ? 0.08016073 0.28160849 0.23984627 0.04099071  -0.01563759 -0.01231767 177 LEU   A C    
1083 O  O    . LEU   A 65  ? 0.11832988 0.30041686 0.26249722 0.06147739  -0.02597285 -0.01217295 177 LEU   A O    
1084 C  CB   . LEU   A 65  ? 0.07474790 0.28834882 0.25662363 0.01314473  -0.00984284 -0.01139349 177 LEU   A CB   
1085 C  CG   . LEU   A 65  ? 0.11948609 0.30635402 0.26873446 0.00118265  -0.01641991 -0.00607170 177 LEU   A CG   
1086 C  CD1  . LEU   A 65  ? 0.13289814 0.32596833 0.28799972 -0.00409572 -0.00684210 -0.00178666 177 LEU   A CD1  
1087 C  CD2  . LEU   A 65  ? 0.14016171 0.31150094 0.28094670 0.00980746  -0.00267270 0.00722468  177 LEU   A CD2  
1088 H  H    . LEU   A 65  ? 0.04749920 0.25398374 0.24296395 0.02372771  -0.00616436 -0.00041225 177 LEU   A H    
1089 H  HA   . LEU   A 65  ? 0.05807232 0.27257618 0.24707098 0.02611183  -0.00865494 -0.00781032 177 LEU   A HA   
1090 H  HB2  . LEU   A 65  ? 0.07741103 0.28776202 0.25603321 0.01411694  -0.01047777 -0.00978429 177 LEU   A HB2  
1091 H  HB3  . LEU   A 65  ? 0.07797779 0.28787231 0.25580487 0.01362968  -0.01042316 -0.01005770 177 LEU   A HB3  
1092 H  HG   . LEU   A 65  ? 0.11449848 0.30518419 0.26987323 0.00410643  -0.01080463 -0.00480518 177 LEU   A HG   
1093 H  HD11 . LEU   A 65  ? 0.13116875 0.32188436 0.28268385 -0.00450970 -0.00955846 -0.00303465 177 LEU   A HD11 
1094 H  HD12 . LEU   A 65  ? 0.12917797 0.32092842 0.28405195 -0.00280782 -0.00977625 -0.00367928 177 LEU   A HD12 
1095 H  HD13 . LEU   A 65  ? 0.12918404 0.32172963 0.28427890 -0.00273542 -0.00958854 -0.00148649 177 LEU   A HD13 
1096 H  HD21 . LEU   A 65  ? 0.13585904 0.31098798 0.27658516 0.01037924  -0.00673070 0.00343470  177 LEU   A HD21 
1097 H  HD22 . LEU   A 65  ? 0.13395135 0.31134418 0.27866092 0.00786520  -0.00692378 0.00480274  177 LEU   A HD22 
1098 H  HD23 . LEU   A 65  ? 0.13394330 0.31024119 0.27693841 0.00790497  -0.00683562 0.00366371  177 LEU   A HD23 
1099 N  N    . ASP   A 66  ? 0.10463968 0.30405292 0.25211084 0.04969271  -0.01305893 -0.01598223 178 ASP   A N    
1100 C  CA   . ASP   A 66  ? 0.12916136 0.33489177 0.25405538 0.03300270  -0.00929953 -0.01332317 178 ASP   A CA   
1101 C  C    . ASP   A 66  ? 0.14755100 0.32519132 0.23063387 0.05077225  0.01142786  -0.00500654 178 ASP   A C    
1102 O  O    . ASP   A 66  ? 0.20473185 0.35506329 0.24486630 0.02302509  -0.01487616 0.02127774  178 ASP   A O    
1103 C  CB   . ASP   A 66  ? 0.17916103 0.36143926 0.28049079 0.01655618  -0.03212697 -0.02687915 178 ASP   A CB   
1104 C  CG   . ASP   A 66  ? 0.24861820 0.38878965 0.33744147 0.02094945  -0.03789118 -0.04376440 178 ASP   A CG   
1105 O  OD1  . ASP   A 66  ? 0.26242462 0.43475184 0.34988838 0.02347469  -0.04621086 -0.05418459 178 ASP   A OD1  
1106 O  OD2  . ASP   A 66  ? 0.26941764 0.44642267 0.44674313 0.00727808  -0.05449091 -0.05097292 178 ASP   A OD2  
1107 H  H    . ASP   A 66  ? 0.10069919 0.30191046 0.24894384 0.04487216  -0.01317463 -0.01397914 178 ASP   A H    
1108 H  HA   . ASP   A 66  ? 0.13503107 0.33083698 0.25439030 0.03758485  -0.00951068 -0.01487422 178 ASP   A HA   
1109 H  HB2  . ASP   A 66  ? 0.17998154 0.35842073 0.28433737 0.02176860  -0.02890391 -0.02595760 178 ASP   A HB2  
1110 H  HB3  . ASP   A 66  ? 0.17865610 0.35889384 0.28316641 0.02196781  -0.02724843 -0.02589756 178 ASP   A HB3  
1111 N  N    . ASN   A 67  ? 0.16203879 0.32286146 0.24174348 0.05506689  0.01564298  0.00340947  179 ASN   A N    
1112 C  CA   . ASN   A 67  ? 0.21110594 0.32253245 0.26859054 0.03488398  0.00959221  0.01819278  179 ASN   A CA   
1113 C  C    . ASN   A 67  ? 0.21984848 0.30808544 0.28344095 0.04229124  -0.00120616 0.02393956  179 ASN   A C    
1114 O  O    . ASN   A 67  ? 0.26389176 0.30217087 0.32457900 0.04628590  0.01513772  0.01039055  179 ASN   A O    
1115 C  CB   . ASN   A 67  ? 0.22132505 0.31501767 0.27980357 0.03424587  0.01048987  0.02401250  179 ASN   A CB   
1116 C  CG   . ASN   A 67  ? 0.21888679 0.31327748 0.31134075 0.03708689  0.01523876  0.03339499  179 ASN   A CG   
1117 O  OD1  . ASN   A 67  ? 0.23013023 0.28643531 0.31744668 0.01336345  -0.00179018 0.03379474  179 ASN   A OD1  
1118 N  ND2  . ASN   A 67  ? 0.19140553 0.32714498 0.35389692 0.03264111  0.03302519  0.04123193  179 ASN   A ND2  
1119 H  H    . ASN   A 67  ? 0.16599002 0.32221797 0.24360062 0.05005984  0.01236992  0.00466521  179 ASN   A H    
1120 H  HA   . ASN   A 67  ? 0.20556653 0.31880555 0.26945680 0.03987843  0.01027328  0.01740850  179 ASN   A HA   
1121 H  HB2  . ASN   A 67  ? 0.21751586 0.31599489 0.28295276 0.03542702  0.01160535  0.02395157  179 ASN   A HB2  
1122 H  HB3  . ASN   A 67  ? 0.21843460 0.31648800 0.28469738 0.03500998  0.01172008  0.02461790  179 ASN   A HB3  
1123 H  HD21 . ASN   A 67  ? 0.20287438 0.32262087 0.34097451 0.03289154  0.02930436  0.03762466  179 ASN   A HD21 
1124 H  HD22 . ASN   A 67  ? 0.19980238 0.32157385 0.33996141 0.03262069  0.02739938  0.03830238  179 ASN   A HD22 
1125 N  N    . ASN   A 68  ? 0.19843277 0.30599988 0.26743308 0.04362363  -0.00346370 0.02189592  180 ASN   A N    
1126 C  CA   . ASN   A 68  ? 0.22742102 0.32791370 0.26480967 0.06072479  -0.01113843 0.00946300  180 ASN   A CA   
1127 C  C    . ASN   A 68  ? 0.18931690 0.30283919 0.24506359 0.06120491  -0.00715382 -0.00090642 180 ASN   A C    
1128 O  O    . ASN   A 68  ? 0.16334414 0.29430923 0.23772040 0.06425969  -0.00805764 -0.01864840 180 ASN   A O    
1129 C  CB   . ASN   A 68  ? 0.20649283 0.37944269 0.29649648 0.06893507  -0.01870918 0.00641533  180 ASN   A CB   
1130 C  CG   . ASN   A 68  ? 0.30582616 0.43774301 0.32309189 0.05345351  -0.00972483 0.00318176  180 ASN   A CG   
1131 O  OD1  . ASN   A 68  ? 0.42537105 0.53286207 0.38138381 0.02098420  -0.05760929 -0.02903030 180 ASN   A OD1  
1132 N  ND2  . ASN   A 68  ? 0.37160614 0.43921921 0.33056107 0.05844264  -0.03080339 0.01996025  180 ASN   A ND2  
1133 H  H    . ASN   A 68  ? 0.20750313 0.30852234 0.26971251 0.04702502  -0.00429898 0.01903927  180 ASN   A H    
1134 H  HA   . ASN   A 68  ? 0.21199976 0.32749233 0.26720428 0.05878817  -0.00981899 0.00951667  180 ASN   A HA   
1135 H  HB2  . ASN   A 68  ? 0.22909683 0.37748373 0.29269561 0.06492159  -0.01449974 0.00591896  180 ASN   A HB2  
1136 H  HB3  . ASN   A 68  ? 0.22494969 0.37398398 0.29141220 0.06740338  -0.01219369 0.00474252  180 ASN   A HB3  
1137 H  HD21 . ASN   A 68  ? 0.34556836 0.43846816 0.32926401 0.05740926  -0.02347152 0.01674451  180 ASN   A HD21 
1138 H  HD22 . ASN   A 68  ? 0.34945896 0.43935946 0.33134899 0.05694930  -0.02466756 0.01449588  180 ASN   A HD22 
1139 N  N    . TRP   A 69  ? 0.16745220 0.29222170 0.24071015 0.04733241  -0.01090566 -0.00065355 181 TRP   A N    
1140 C  CA   . TRP   A 69  ? 0.12107860 0.29240876 0.24826857 0.04990766  0.00213686  0.00284331  181 TRP   A CA   
1141 C  C    . TRP   A 69  ? 0.10850353 0.28985494 0.24694297 0.04935514  -0.02304941 -0.00416991 181 TRP   A C    
1142 O  O    . TRP   A 69  ? 0.14414179 0.31554765 0.28389046 0.07623343  -0.03677512 0.01471282  181 TRP   A O    
1143 C  CB   . TRP   A 69  ? 0.11987814 0.27708858 0.24698068 0.04965793  0.01460059  -0.00104555 181 TRP   A CB   
1144 C  CG   . TRP   A 69  ? 0.13299933 0.26863527 0.25698870 0.03781507  0.01049988  0.00523073  181 TRP   A CG   
1145 C  CD1  . TRP   A 69  ? 0.15002763 0.26412320 0.27484131 0.04274631  0.01240681  0.01806692  181 TRP   A CD1  
1146 C  CD2  . TRP   A 69  ? 0.12496973 0.25858408 0.24758017 0.03321620  0.01080041  0.00003503  181 TRP   A CD2  
1147 N  NE1  . TRP   A 69  ? 0.15323645 0.27708083 0.27710027 0.01061064  0.01337604  0.01611277  181 TRP   A NE1  
1148 C  CE2  . TRP   A 69  ? 0.14487121 0.26217902 0.25708589 0.02093275  0.01517787  0.00610347  181 TRP   A CE2  
1149 C  CE3  . TRP   A 69  ? 0.11163594 0.24153529 0.26769984 0.03262104  0.01185472  -0.00675327 181 TRP   A CE3  
1150 C  CZ2  . TRP   A 69  ? 0.14206804 0.27560738 0.25775307 0.00624665  0.00313100  -0.00225126 181 TRP   A CZ2  
1151 C  CZ3  . TRP   A 69  ? 0.10438769 0.25890622 0.26254481 0.02361040  0.00721346  -0.01015779 181 TRP   A CZ3  
1152 C  CH2  . TRP   A 69  ? 0.11766837 0.26273787 0.26219484 0.01342283  -0.00326848 -0.00441682 181 TRP   A CH2  
1153 H  H    . TRP   A 69  ? 0.16106606 0.29366541 0.24370143 0.05106800  -0.00664686 0.00063451  181 TRP   A H    
1154 H  HA   . TRP   A 69  ? 0.12655398 0.28899324 0.24648984 0.04925055  -0.00291698 0.00011448  181 TRP   A HA   
1155 H  HB2  . TRP   A 69  ? 0.12313762 0.27829304 0.24899440 0.04717353  0.01075723  0.00148204  181 TRP   A HB2  
1156 H  HB3  . TRP   A 69  ? 0.12252061 0.27823499 0.24732399 0.04673219  0.01126902  0.00156585  181 TRP   A HB3  
1157 H  HD1  . TRP   A 69  ? 0.14540371 0.26602933 0.26881343 0.03557750  0.01102554  0.01622326  181 TRP   A HD1  
1158 H  HE1  . TRP   A 69  ? 0.14839973 0.26909524 0.27070409 0.01964468  0.01430663  0.01458873  181 TRP   A HE1  
1159 H  HE3  . TRP   A 69  ? 0.11257906 0.24971718 0.26210251 0.03005956  0.01064523  -0.00570420 181 TRP   A HE3  
1160 H  HZ2  . TRP   A 69  ? 0.13731553 0.26957011 0.25896892 0.01236133  0.00423368  -0.00096404 181 TRP   A HZ2  
1161 H  HZ3  . TRP   A 69  ? 0.10966299 0.25710544 0.26423627 0.02345546  0.00600323  -0.00867294 181 TRP   A HZ3  
1162 H  HH2  . TRP   A 69  ? 0.11779985 0.26412982 0.26076823 0.01550021  -0.00016013 -0.00467233 181 TRP   A HH2  
1163 N  N    . GLY   A 70  ? 0.06814217 0.29102409 0.25634363 0.03857229  -0.02178826 0.00080853  182 GLY   A N    
1164 C  CA   . GLY   A 70  ? 0.08471680 0.29558247 0.25375924 0.02546940  -0.01953213 -0.00231925 182 GLY   A CA   
1165 C  C    . GLY   A 70  ? 0.09057886 0.29636738 0.26852569 0.03728744  -0.01791632 -0.00888867 182 GLY   A C    
1166 O  O    . GLY   A 70  ? 0.05558533 0.29897267 0.28341755 0.03980982  -0.00735924 -0.00680461 182 GLY   A O    
1167 H  H    . GLY   A 70  ? 0.07656902 0.29075930 0.25166282 0.04053937  -0.02433411 0.00032114  182 GLY   A H    
1168 H  HA2  . GLY   A 70  ? 0.08219165 0.29481027 0.25729710 0.03155077  -0.02001599 -0.00289555 182 GLY   A HA2  
1169 H  HA3  . GLY   A 70  ? 0.08217792 0.29527292 0.25757793 0.03113017  -0.01973375 -0.00325255 182 GLY   A HA3  
1170 N  N    . ARG   A 71  ? 0.10266223 0.29307416 0.26523435 0.02164732  -0.01806157 -0.01973494 183 ARG   A N    
1171 C  CA   . ARG   A 71  ? 0.10943346 0.31053701 0.27326974 0.01529710  -0.00763812 -0.02410300 183 ARG   A CA   
1172 C  C    . ARG   A 71  ? 0.10498803 0.27944085 0.25488767 0.02049418  -0.00441888 -0.02400432 183 ARG   A C    
1173 O  O    . ARG   A 71  ? 0.10193869 0.26506639 0.28107941 0.01826092  -0.00545295 -0.02223846 183 ARG   A O    
1174 C  CB   . ARG   A 71  ? 0.11815866 0.35514325 0.31181988 -0.00175265 -0.00552135 -0.02752677 183 ARG   A CB   
1175 C  CG   . ARG   A 71  ? 0.16384690 0.40075096 0.34945574 0.01062312  0.01714749  -0.03251983 183 ARG   A CG   
1176 C  CD   . ARG   A 71  ? 0.19974105 0.42839304 0.37313193 0.04727620  0.01555477  -0.01504392 183 ARG   A CD   
1177 N  NE   . ARG   A 71  ? 0.17531568 0.45481196 0.37890181 0.06757204  0.03232373  -0.00989964 183 ARG   A NE   
1178 C  CZ   . ARG   A 71  ? 0.10619940 0.46391937 0.39627108 0.05963052  0.02079079  -0.00120916 183 ARG   A CZ   
1179 N  NH1  . ARG   A 71  ? 0.12049945 0.41423380 0.39895654 0.07211936  0.00730797  0.00803082  183 ARG   A NH1  
1180 N  NH2  . ARG   A 71  ? 0.12293205 0.51442719 0.37411538 0.06223385  0.00902192  -0.00500507 183 ARG   A NH2  
1181 H  H    . ARG   A 71  ? 0.10124236 0.29538521 0.26786682 0.02339154  -0.01575674 -0.01880684 183 ARG   A H    
1182 H  HA   . ARG   A 71  ? 0.10814171 0.30798870 0.27332595 0.01463807  -0.00841200 -0.02369401 183 ARG   A HA   
1183 H  HB2  . ARG   A 71  ? 0.12255719 0.35239968 0.30714554 0.00609563  -0.00281963 -0.02678993 183 ARG   A HB2  
1184 H  HB3  . ARG   A 71  ? 0.12380313 0.35364595 0.30699995 0.00413953  -0.00225215 -0.02652333 183 ARG   A HB3  
1185 H  HG2  . ARG   A 71  ? 0.15832271 0.39328116 0.34317726 0.01620026  0.01162901  -0.02778595 183 ARG   A HG2  
1186 H  HG3  . ARG   A 71  ? 0.16093166 0.39014977 0.34511009 0.01567335  0.01517221  -0.02726269 183 ARG   A HG3  
1187 H  HD2  . ARG   A 71  ? 0.18391430 0.42802933 0.37228587 0.04351582  0.01825086  -0.01771534 183 ARG   A HD2  
1188 H  HD3  . ARG   A 71  ? 0.18466784 0.42978287 0.36800691 0.04529475  0.01888311  -0.01787648 183 ARG   A HD3  
1189 H  HE   . ARG   A 71  ? 0.16215777 0.44950479 0.38168478 0.06050501  0.02526610  -0.00772504 183 ARG   A HE   
1190 H  HH11 . ARG   A 71  ? 0.11347873 0.42592633 0.39771572 0.07199579  0.01207106  0.00443866  183 ARG   A HH11 
1191 H  HH12 . ARG   A 71  ? 0.11641774 0.42794517 0.39720473 0.06919170  0.01175316  0.00432778  183 ARG   A HH12 
1192 H  HH21 . ARG   A 71  ? 0.12158227 0.50071675 0.38146400 0.05770800  0.01178787  -0.00272195 183 ARG   A HH21 
1193 H  HH22 . ARG   A 71  ? 0.11843037 0.49679363 0.37978286 0.06039470  0.01113632  -0.00375138 183 ARG   A HH22 
1194 N  N    . GLU   A 72  ? 0.08791704 0.26790738 0.24602924 0.01852755  0.00309725  -0.01376717 184 GLU   A N    
1195 C  CA   . GLU   A 72  ? 0.06588189 0.26863867 0.24379015 0.01621468  0.00818412  -0.01894892 184 GLU   A CA   
1196 C  C    . GLU   A 72  ? 0.04991909 0.28106016 0.25413930 0.02081880  0.01290881  -0.01535112 184 GLU   A C    
1197 O  O    . GLU   A 72  ? 0.04653355 0.33357096 0.27395856 0.01904086  0.01276337  -0.01359425 184 GLU   A O    
1198 C  CB   . GLU   A 72  ? 0.07819199 0.26851740 0.26269627 0.01141738  -0.00965651 -0.00852480 184 GLU   A CB   
1199 C  CG   . GLU   A 72  ? 0.09476011 0.27882609 0.26726997 0.01550598  -0.00672002 -0.00666288 184 GLU   A CG   
1200 C  CD   . GLU   A 72  ? 0.13141020 0.28027943 0.29184917 0.01401286  -0.00689033 -0.00674451 184 GLU   A CD   
1201 O  OE1  . GLU   A 72  ? 0.15622142 0.28261086 0.31087056 -0.00598084 0.01502703  -0.00331884 184 GLU   A OE1  
1202 O  OE2  . GLU   A 72  ? 0.13377322 0.28415740 0.29322383 0.03640508  0.00753162  -0.00797109 184 GLU   A OE2  
1203 H  H    . GLU   A 72  ? 0.08598895 0.26989505 0.24767241 0.01916817  0.00187915  -0.01664842 184 GLU   A H    
1204 H  HA   . GLU   A 72  ? 0.06637735 0.27015442 0.24961075 0.01809918  0.00556520  -0.01565557 184 GLU   A HA   
1205 H  HB2  . GLU   A 72  ? 0.07911515 0.27076855 0.25910193 0.01333840  -0.00455287 -0.01062724 184 GLU   A HB2  
1206 H  HB3  . GLU   A 72  ? 0.07852313 0.27074414 0.25887674 0.01348545  -0.00463439 -0.01065756 184 GLU   A HB3  
1207 H  HG2  . GLU   A 72  ? 0.09578378 0.27585828 0.27088490 0.01512057  -0.00750384 -0.00713500 184 GLU   A HG2  
1208 H  HG3  . GLU   A 72  ? 0.09726494 0.27627772 0.26981083 0.01433965  -0.00782025 -0.00735816 184 GLU   A HG3  
1209 N  N    . GLU   A 73  ? 0.06706429 0.28292254 0.25353840 0.01955456  0.01202777  -0.01192861 185 GLU   A N    
1210 C  CA   . GLU   A 73  ? 0.04867297 0.28171220 0.26380676 -0.00078064 0.01948293  -0.01750162 185 GLU   A CA   
1211 C  C    . GLU   A 73  ? 0.03030208 0.29028660 0.26345927 -0.01046413 0.01826198  -0.02049506 185 GLU   A C    
1212 O  O    . GLU   A 73  ? 0.02501363 0.33529642 0.28252763 0.01413183  0.02308780  -0.03062557 185 GLU   A O    
1213 C  CB   . GLU   A 73  ? 0.07637675 0.28587854 0.27117199 -0.00930158 0.01827559  -0.00685310 185 GLU   A CB   
1214 C  CG   . GLU   A 73  ? 0.11508227 0.29499036 0.27626473 -0.01746004 0.01827603  -0.01104383 185 GLU   A CG   
1215 C  CD   . GLU   A 73  ? 0.12012446 0.30442476 0.26347089 -0.01487913 0.02741029  -0.00694880 185 GLU   A CD   
1216 O  OE1  . GLU   A 73  ? 0.19126599 0.31672660 0.26370361 -0.00627601 0.01706690  -0.01052854 185 GLU   A OE1  
1217 O  OE2  . GLU   A 73  ? 0.15324336 0.31812888 0.27552602 -0.01328045 0.01996579  -0.01782696 185 GLU   A OE2  
1218 H  H    . GLU   A 73  ? 0.06378474 0.28223255 0.25659373 0.01415671  0.01202058  -0.01366272 185 GLU   A H    
1219 H  HA   . GLU   A 73  ? 0.04880305 0.28454193 0.26295847 0.00052100  0.01797978  -0.01535508 185 GLU   A HA   
1220 H  HB2  . GLU   A 73  ? 0.07689567 0.28668541 0.27027380 -0.00888876 0.01865333  -0.01032310 185 GLU   A HB2  
1221 H  HB3  . GLU   A 73  ? 0.07757646 0.28677309 0.27007449 -0.00893421 0.01861652  -0.01027346 185 GLU   A HB3  
1222 H  HG2  . GLU   A 73  ? 0.11387502 0.29488486 0.27304846 -0.01556650 0.01861782  -0.00903713 185 GLU   A HG2  
1223 H  HG3  . GLU   A 73  ? 0.10808805 0.29487038 0.27447250 -0.01471182 0.01970690  -0.00964999 185 GLU   A HG3  
1224 N  N    . ARG   A 74  ? 0.04630203 0.28751218 0.25719726 -0.00750920 0.00857442  -0.02844637 186 ARG   A N    
1225 C  CA   . ARG   A 74  ? 0.06663018 0.28751102 0.27304506 -0.01147010 0.01869824  -0.02947830 186 ARG   A CA   
1226 C  C    . ARG   A 74  ? 0.11923077 0.32463562 0.26774901 -0.00894985 0.02699913  -0.03872846 186 ARG   A C    
1227 O  O    . ARG   A 74  ? 0.12690051 0.37201560 0.27761897 -0.02526966 0.02957420  -0.03118060 186 ARG   A O    
1228 C  CB   . ARG   A 74  ? 0.09453229 0.28894770 0.29383153 0.00155125  0.03041012  -0.03216250 186 ARG   A CB   
1229 C  CG   . ARG   A 74  ? 0.12617585 0.30574089 0.30316365 0.02455702  0.02079299  -0.03415585 186 ARG   A CG   
1230 C  CD   . ARG   A 74  ? 0.11125299 0.31416163 0.33494607 0.02964635  0.01663245  -0.03841729 186 ARG   A CD   
1231 N  NE   . ARG   A 74  ? 0.14426927 0.29559141 0.32503515 0.04349392  0.01695182  -0.04344618 186 ARG   A NE   
1232 C  CZ   . ARG   A 74  ? 0.09486192 0.29479444 0.31527710 0.05756776  -0.01684101 -0.04530150 186 ARG   A CZ   
1233 N  NH1  . ARG   A 74  ? 0.15377626 0.32543609 0.32677424 0.04218829  -0.02957691 -0.04818566 186 ARG   A NH1  
1234 N  NH2  . ARG   A 74  ? 0.12803523 0.29966235 0.31588030 0.05161659  -0.01466493 -0.04430901 186 ARG   A NH2  
1235 H  H    . ARG   A 74  ? 0.04773880 0.28817260 0.26204810 -0.00871795 0.01309438  -0.02659158 186 ARG   A H    
1236 H  HA   . ARG   A 74  ? 0.06833460 0.29413727 0.27155712 -0.00862723 0.02169327  -0.03093138 186 ARG   A HA   
1237 H  HB2  . ARG   A 74  ? 0.09376200 0.29192787 0.29031006 0.00342739  0.02554649  -0.03184508 186 ARG   A HB2  
1238 H  HB3  . ARG   A 74  ? 0.09343144 0.29222757 0.29035828 0.00327840  0.02566532  -0.03157347 186 ARG   A HB3  
1239 H  HG2  . ARG   A 74  ? 0.12059366 0.30486944 0.30724162 0.02395556  0.02296452  -0.03377473 186 ARG   A HG2  
1240 H  HG3  . ARG   A 74  ? 0.11522773 0.30317646 0.30671766 0.02055675  0.02241880  -0.03438140 186 ARG   A HG3  
1241 H  HD2  . ARG   A 74  ? 0.12043624 0.30730498 0.32535359 0.03022664  0.01644491  -0.03888448 186 ARG   A HD2  
1242 H  HD3  . ARG   A 74  ? 0.12267419 0.30951527 0.32740831 0.03096378  0.01568589  -0.03700317 186 ARG   A HD3  
1243 H  HE   . ARG   A 74  ? 0.12368764 0.29967678 0.32577169 0.04421366  0.00826073  -0.04230569 186 ARG   A HE   
1244 H  HH11 . ARG   A 74  ? 0.13535170 0.31743598 0.32367420 0.04962030  -0.02474226 -0.04685763 186 ARG   A HH11 
1245 H  HH12 . ARG   A 74  ? 0.13541554 0.31612539 0.32653448 0.04882163  -0.02639377 -0.04848887 186 ARG   A HH12 
1246 H  HH21 . ARG   A 74  ? 0.11854985 0.29927954 0.31596190 0.05395855  -0.01513378 -0.04441236 186 ARG   A HH21 
1247 H  HH22 . ARG   A 74  ? 0.11774597 0.29839143 0.31603807 0.05351151  -0.01488548 -0.04446447 186 ARG   A HH22 
1248 N  N    . GLN   A 75  ? 0.13380530 0.34522822 0.27301642 -0.01962750 0.01823506  -0.02795377 187 GLN   A N    
1249 C  CA   . GLN   A 75  ? 0.21149373 0.38029832 0.29656237 -0.01337868 0.00571029  -0.01532318 187 GLN   A CA   
1250 C  C    . GLN   A 75  ? 0.24096249 0.36968523 0.28997004 -0.00149261 0.00535389  -0.02165537 187 GLN   A C    
1251 O  O    . GLN   A 75  ? 0.24793750 0.38342023 0.27954805 -0.01077859 0.00924602  -0.01463193 187 GLN   A O    
1252 C  CB   . GLN   A 75  ? 0.23025803 0.40258390 0.35547113 -0.01044255 0.01960943  0.00667613  187 GLN   A CB   
1253 C  CG   . GLN   A 75  ? 0.28756827 0.45340800 0.41833159 -0.00156832 0.01878441  0.01945385  187 GLN   A CG   
1254 C  CD   . GLN   A 75  ? 0.29030004 0.47299993 0.50801980 -0.01374427 0.02676324  0.05796380  187 GLN   A CD   
1255 O  OE1  . GLN   A 75  ? 0.27575114 0.49571604 0.60215402 0.02596290  0.00996919  0.08416142  187 GLN   A OE1  
1256 N  NE2  . GLN   A 75  ? 0.34779853 0.49793917 0.58599764 -0.00501775 0.03918730  0.06666990  187 GLN   A NE2  
1257 H  H    . GLN   A 75  ? 0.13913020 0.34333569 0.27456594 -0.01765534 0.02002824  -0.02686265 187 GLN   A H    
1258 H  HA   . GLN   A 75  ? 0.20572360 0.37326297 0.29905766 -0.00968431 0.00803224  -0.01658894 187 GLN   A HA   
1259 H  HB2  . GLN   A 75  ? 0.23400828 0.40432736 0.34881687 -0.00930788 0.01613281  0.00359417  187 GLN   A HB2  
1260 H  HB3  . GLN   A 75  ? 0.23115237 0.40211529 0.34700462 -0.00924911 0.01671045  0.00327077  187 GLN   A HB3  
1261 H  HG2  . GLN   A 75  ? 0.27501580 0.44580659 0.41757479 -0.00814934 0.02104720  0.02501068  187 GLN   A HG2  
1262 H  HG3  . GLN   A 75  ? 0.27266625 0.44637379 0.41538054 -0.00417054 0.02149603  0.02541701  187 GLN   A HG3  
1263 H  HE21 . GLN   A 75  ? 0.33420277 0.49182206 0.55703485 -0.01117749 0.03206537  0.06398919  187 GLN   A HE21 
1264 H  HE22 . GLN   A 75  ? 0.33370599 0.49129057 0.56425202 -0.00558258 0.02902714  0.06154846  187 GLN   A HE22 
1265 N  N    . SER   A 76  ? 0.19479330 0.38494340 0.32547194 0.03345630  -0.00383843 -0.01469858 188 SER   A N    
1266 C  CA   . SER   A 76  ? 0.22822283 0.38182202 0.33938891 0.05005526  0.00270117  -0.02193922 188 SER   A CA   
1267 C  C    . SER   A 76  ? 0.21361016 0.38409266 0.33282757 0.02577490  0.00951773  -0.02630515 188 SER   A C    
1268 O  O    . SER   A 76  ? 0.21849531 0.37603548 0.35231495 0.05028443  -0.01892074 -0.02370904 188 SER   A O    
1269 C  CB   . SER   A 76  ? 0.23850532 0.40441197 0.36440331 0.05560774  -0.00417113 -0.03404470 188 SER   A CB   
1270 O  OG   . SER   A 76  ? 0.30833328 0.43234551 0.41421789 0.04704761  -0.03234395 -0.02980398 188 SER   A OG   
1271 H  H    . SER   A 76  ? 0.21137190 0.37979758 0.31923580 0.02691329  0.00094333  -0.01747781 188 SER   A H    
1272 H  HA   . SER   A 76  ? 0.22068653 0.38709265 0.33925861 0.04293781  0.00125459  -0.02369583 188 SER   A HA   
1273 H  HB2  . SER   A 76  ? 0.24931942 0.40365085 0.36737025 0.05187391  -0.00806918 -0.02988978 188 SER   A HB2  
1274 H  HB3  . SER   A 76  ? 0.24952137 0.40336919 0.36703372 0.05190428  -0.00851114 -0.03079890 188 SER   A HB3  
1275 H  HG   . SER   A 76  ? 0.42519429 0.42519429 0.42519429 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1276 N  N    . VAL   A 77  ? 0.17779659 0.35442653 0.30686629 0.01532875  0.02540728  -0.03443293 189 VAL   A N    
1277 C  CA   . VAL   A 77  ? 0.17609835 0.35724944 0.30858922 0.00819750  0.02710813  -0.01868245 189 VAL   A CA   
1278 C  C    . VAL   A 77  ? 0.17188703 0.31611431 0.29029924 0.00834044  0.02577421  -0.02133100 189 VAL   A C    
1279 O  O    . VAL   A 77  ? 0.17822181 0.35456654 0.28027362 0.00909999  0.00458093  -0.01857772 189 VAL   A O    
1280 C  CB   . VAL   A 77  ? 0.21816982 0.39043823 0.35275832 -0.00561746 -0.00058636 0.00083966  189 VAL   A CB   
1281 C  CG1  . VAL   A 77  ? 0.23976319 0.40131620 0.36236081 -0.00643610 -0.01499832 0.00926837  189 VAL   A CG1  
1282 C  CG2  . VAL   A 77  ? 0.25949544 0.43442318 0.36633953 -0.00310901 0.02950416  0.01778506  189 VAL   A CG2  
1283 H  H    . VAL   A 77  ? 0.18363732 0.35960662 0.31345508 0.01324716  0.02068831  -0.02934545 189 VAL   A H    
1284 H  HA   . VAL   A 77  ? 0.18215717 0.35224843 0.31086299 0.00802205  0.02182191  -0.01905944 189 VAL   A HA   
1285 H  HB   . VAL   A 77  ? 0.21887577 0.39228183 0.34813470 -0.00246437 0.00781382  0.00233139  189 VAL   A HB   
1286 H  HG11 . VAL   A 77  ? 0.23422660 0.39927173 0.36133301 -0.00606877 -0.01122231 0.00800652  189 VAL   A HG11 
1287 H  HG12 . VAL   A 77  ? 0.23776886 0.39784533 0.36077130 -0.00577937 -0.01311438 0.00665300  189 VAL   A HG12 
1288 H  HG13 . VAL   A 77  ? 0.23424247 0.39896357 0.36015904 -0.00596570 -0.01124651 0.00666164  189 VAL   A HG13 
1289 H  HG21 . VAL   A 77  ? 0.24656560 0.42412820 0.36427239 -0.00385520 0.02114864  0.01126949  189 VAL   A HG21 
1290 H  HG22 . VAL   A 77  ? 0.25019431 0.42018366 0.36735800 -0.00457653 0.02534923  0.01142474  189 VAL   A HG22 
1291 H  HG23 . VAL   A 77  ? 0.24661982 0.42265645 0.36657363 -0.00438269 0.02077568  0.01485431  189 VAL   A HG23 
1292 N  N    . PHE   A 78  ? 0.18183130 0.27179506 0.26262444 0.03080810  0.02514875  -0.02029734 190 PHE   A N    
1293 C  CA   . PHE   A 78  ? 0.14737935 0.24853581 0.27446470 0.04036665  0.01034828  -0.01949263 190 PHE   A CA   
1294 C  C    . PHE   A 78  ? 0.16082913 0.26659539 0.27271900 0.03932945  -0.00143472 -0.01460528 190 PHE   A C    
1295 O  O    . PHE   A 78  ? 0.17778286 0.27932125 0.32195207 0.05288818  -0.02047468 -0.02594980 190 PHE   A O    
1296 C  CB   . PHE   A 78  ? 0.14601272 0.26367646 0.28141618 0.05289473  -0.00850235 0.00060517  190 PHE   A CB   
1297 C  CG   . PHE   A 78  ? 0.14345801 0.24709572 0.27954835 0.05862248  -0.00745798 -0.01115508 190 PHE   A CG   
1298 C  CD1  . PHE   A 78  ? 0.14356610 0.24108447 0.27580678 0.05803553  -0.01540674 -0.01040028 190 PHE   A CD1  
1299 C  CD2  . PHE   A 78  ? 0.12861015 0.22988287 0.27236623 0.05963267  -0.00254636 -0.00768785 190 PHE   A CD2  
1300 C  CE1  . PHE   A 78  ? 0.13985635 0.25390643 0.27676851 0.05300743  -0.00765219 -0.01799086 190 PHE   A CE1  
1301 C  CE2  . PHE   A 78  ? 0.15103808 0.24039960 0.27770120 0.05687787  0.00465126  -0.01096004 190 PHE   A CE2  
1302 C  CZ   . PHE   A 78  ? 0.14946672 0.25146019 0.26656163 0.05502554  -0.00938516 -0.01213381 190 PHE   A CZ   
1303 H  H    . PHE   A 78  ? 0.17094266 0.27600777 0.26642448 0.02826202  0.02256747  -0.02156819 190 PHE   A H    
1304 H  HA   . PHE   A 78  ? 0.15616772 0.25819784 0.27073014 0.04088602  0.00819193  -0.01711083 190 PHE   A HA   
1305 H  HB2  . PHE   A 78  ? 0.14369270 0.25656810 0.27962682 0.05146253  -0.00476571 -0.00624090 190 PHE   A HB2  
1306 H  HB3  . PHE   A 78  ? 0.14560266 0.25827873 0.28287211 0.05137860  -0.00401768 -0.00430176 190 PHE   A HB3  
1307 H  HD1  . PHE   A 78  ? 0.14265113 0.24545488 0.27586696 0.05694257  -0.01176851 -0.01234744 190 PHE   A HD1  
1308 H  HD2  . PHE   A 78  ? 0.13400614 0.23566242 0.27471629 0.05721286  -0.00329687 -0.00975359 190 PHE   A HD2  
1309 H  HE1  . PHE   A 78  ? 0.14193006 0.25028703 0.27441674 0.05392441  -0.01022587 -0.01479945 190 PHE   A HE1  
1310 H  HE2  . PHE   A 78  ? 0.14511250 0.24064448 0.27654141 0.05716173  -0.00004365 -0.01016741 190 PHE   A HE2  
1311 H  HZ   . PHE   A 78  ? 0.14778224 0.24943587 0.27205890 0.05528208  -0.00612334 -0.01332621 190 PHE   A HZ   
1312 N  N    . PRO   A 79  ? 0.17420103 0.26923811 0.28069878 0.03888649  0.00319783  -0.01229064 191 PRO   A N    
1313 C  CA   . PRO   A 79  ? 0.20497014 0.27879620 0.29691434 0.03937884  -0.00962972 -0.01467551 191 PRO   A CA   
1314 C  C    . PRO   A 79  ? 0.18229207 0.29822275 0.30195993 0.04225545  -0.01540822 0.00553504  191 PRO   A C    
1315 O  O    . PRO   A 79  ? 0.19972928 0.36556301 0.33815804 0.02377316  -0.03109840 0.03905261  191 PRO   A O    
1316 C  CB   . PRO   A 79  ? 0.23328108 0.27220827 0.30474463 0.04879042  -0.01439688 -0.00761811 191 PRO   A CB   
1317 C  CG   . PRO   A 79  ? 0.19282421 0.26720649 0.30830902 0.04601241  -0.02002392 -0.01842045 191 PRO   A CG   
1318 C  CD   . PRO   A 79  ? 0.17357311 0.26807499 0.29748759 0.03930331  -0.00818643 -0.01093031 191 PRO   A CD   
1319 H  HA   . PRO   A 79  ? 0.19874403 0.27903259 0.29578790 0.04147117  -0.00889900 -0.00937268 191 PRO   A HA   
1320 H  HB2  . PRO   A 79  ? 0.22379571 0.27394426 0.30489886 0.04404875  -0.01280711 -0.01213666 191 PRO   A HB2  
1321 H  HB3  . PRO   A 79  ? 0.21975911 0.27356946 0.30523804 0.04674708  -0.01550132 -0.01263415 191 PRO   A HB3  
1322 H  HG2  . PRO   A 79  ? 0.19727233 0.26795286 0.30526996 0.04492876  -0.01687928 -0.01439859 191 PRO   A HG2  
1323 H  HG3  . PRO   A 79  ? 0.19583149 0.26726919 0.30463207 0.04440069  -0.01594380 -0.01428320 191 PRO   A HG3  
1324 H  HD2  . PRO   A 79  ? 0.17729199 0.26800621 0.29593182 0.04047945  -0.00781158 -0.01293804 191 PRO   A HD2  
1325 H  HD3  . PRO   A 79  ? 0.17567129 0.26755339 0.29572520 0.03962003  -0.00752303 -0.01269557 191 PRO   A HD3  
1326 N  N    . PHE   A 80  ? 0.12236226 0.29096127 0.27251226 0.04819287  -0.02147884 -0.00875477 192 PHE   A N    
1327 C  CA   . PHE   A 80  ? 0.11129692 0.25589114 0.27673420 0.04470170  -0.03182723 -0.01250621 192 PHE   A CA   
1328 C  C    . PHE   A 80  ? 0.14568372 0.26717141 0.28759104 0.04358651  -0.03301166 -0.02131329 192 PHE   A C    
1329 O  O    . PHE   A 80  ? 0.16973226 0.24518310 0.29800135 0.05598564  -0.01981875 -0.04216007 192 PHE   A O    
1330 C  CB   . PHE   A 80  ? 0.10647435 0.25409219 0.28104687 0.03028057  -0.02955719 -0.01292007 192 PHE   A CB   
1331 C  CG   . PHE   A 80  ? 0.10007884 0.24824086 0.25573599 0.02511353  -0.03472858 -0.01160392 192 PHE   A CG   
1332 C  CD1  . PHE   A 80  ? 0.10764509 0.23425259 0.25480360 0.02077287  -0.02466416 -0.00422216 192 PHE   A CD1  
1333 C  CD2  . PHE   A 80  ? 0.09731811 0.25913647 0.26842049 0.02515078  -0.03182423 -0.00839541 192 PHE   A CD2  
1334 C  CE1  . PHE   A 80  ? 0.12457307 0.23349679 0.26248538 0.00914545  -0.01132451 -0.00018937 192 PHE   A CE1  
1335 C  CE2  . PHE   A 80  ? 0.09665344 0.25643548 0.24910656 0.01091783  -0.03708505 -0.00521149 192 PHE   A CE2  
1336 C  CZ   . PHE   A 80  ? 0.11226460 0.24243064 0.25043330 0.01619192  -0.01012301 -0.00240453 192 PHE   A CZ   
1337 H  H    . PHE   A 80  ? 0.12777157 0.28257832 0.27728447 0.04646507  -0.02502722 -0.00635128 192 PHE   A H    
1338 H  HA   . PHE   A 80  ? 0.11388131 0.26191324 0.27823883 0.04573153  -0.03175603 -0.01153454 192 PHE   A HA   
1339 H  HB2  . PHE   A 80  ? 0.10790872 0.25401700 0.27423644 0.03104047  -0.03031777 -0.01318374 192 PHE   A HB2  
1340 H  HB3  . PHE   A 80  ? 0.10579769 0.25307018 0.27386627 0.03172933  -0.03094692 -0.01258580 192 PHE   A HB3  
1341 H  HD1  . PHE   A 80  ? 0.10874712 0.23766020 0.25667101 0.01883507  -0.02428418 -0.00515774 192 PHE   A HD1  
1342 H  HD2  . PHE   A 80  ? 0.09652267 0.25486827 0.26058015 0.02266682  -0.03328528 -0.00834334 192 PHE   A HD2  
1343 H  HE1  . PHE   A 80  ? 0.12147417 0.23807602 0.25779000 0.01091271  -0.01489778 -0.00164055 192 PHE   A HE1  
1344 H  HE2  . PHE   A 80  ? 0.09415716 0.25245360 0.25247538 0.01281174  -0.03217137 -0.00646456 192 PHE   A HE2  
1345 H  HZ   . PHE   A 80  ? 0.11090773 0.24342999 0.25281939 0.01350409  -0.01707878 -0.00297808 192 PHE   A HZ   
1346 N  N    . GLU   A 81  ? 0.13841107 0.27542737 0.29524076 0.03773870  -0.02433144 -0.01914250 193 GLU   A N    
1347 C  CA   . GLU   A 81  ? 0.12816101 0.27078491 0.30655220 0.05387465  -0.03260234 -0.02737518 193 GLU   A CA   
1348 C  C    . GLU   A 81  ? 0.14598337 0.25053868 0.29049814 0.04786374  -0.03301524 -0.03557248 193 GLU   A C    
1349 O  O    . GLU   A 81  ? 0.12844920 0.23451278 0.30647442 0.04979675  -0.05112675 -0.03469171 193 GLU   A O    
1350 C  CB   . GLU   A 81  ? 0.15631813 0.28743765 0.31463832 0.04551436  -0.03844515 -0.02995213 193 GLU   A CB   
1351 C  CG   . GLU   A 81  ? 0.18373442 0.28271586 0.32928380 0.04668662  -0.02221885 -0.02641527 193 GLU   A CG   
1352 C  CD   . GLU   A 81  ? 0.19060463 0.30647731 0.35753354 0.05056278  -0.01334073 -0.00911890 193 GLU   A CD   
1353 O  OE1  . GLU   A 81  ? 0.21068275 0.31711924 0.34901485 0.04436833  0.02008584  -0.01779085 193 GLU   A OE1  
1354 O  OE2  . GLU   A 81  ? 0.21032403 0.32707036 0.38865516 0.04648393  0.01445557  -0.00527513 193 GLU   A OE2  
1355 H  H    . GLU   A 81  ? 0.14062937 0.27382809 0.29564810 0.04051778  -0.02871739 -0.02116272 193 GLU   A H    
1356 H  HA   . GLU   A 81  ? 0.13357446 0.26744959 0.30198050 0.05233195  -0.03395744 -0.02622522 193 GLU   A HA   
1357 H  HB2  . GLU   A 81  ? 0.15628953 0.28327441 0.31584114 0.04696795  -0.03294849 -0.02874456 193 GLU   A HB2  
1358 H  HB3  . GLU   A 81  ? 0.15543048 0.28365538 0.31588161 0.04787607  -0.03304454 -0.02824453 193 GLU   A HB3  
1359 H  HG2  . GLU   A 81  ? 0.17736086 0.28558752 0.33027327 0.04644248  -0.02443266 -0.02437262 193 GLU   A HG2  
1360 H  HG3  . GLU   A 81  ? 0.17788914 0.28802282 0.33099082 0.04712772  -0.02416718 -0.02367256 193 GLU   A HG3  
1361 N  N    . SER   A 82  ? 0.19936633 0.26150733 0.30802509 0.04905479  -0.04497144 -0.02018796 194 SER   A N    
1362 C  CA   . SER   A 82  ? 0.23689614 0.28886941 0.31144425 0.03620904  -0.01749261 -0.01244504 194 SER   A CA   
1363 C  C    . SER   A 82  ? 0.22515428 0.25861719 0.28364670 0.00329778  0.00297156  -0.01066992 194 SER   A C    
1364 O  O    . SER   A 82  ? 0.27175513 0.27772623 0.30223119 -0.00516806 0.01922208  -0.03800166 194 SER   A O    
1365 C  CB   . SER   A 82  ? 0.28561705 0.31428862 0.35956106 0.02550486  -0.02233613 0.01917219  194 SER   A CB   
1366 O  OG   . SER   A 82  ? 0.37935066 0.39516497 0.40335786 0.03865682  -0.04993461 0.00761819  194 SER   A OG   
1367 H  H    . SER   A 82  ? 0.19334978 0.26484111 0.30429620 0.04483754  -0.03598315 -0.02220001 194 SER   A H    
1368 H  HA   . SER   A 82  ? 0.23169976 0.27944392 0.31015617 0.03000373  -0.01902053 -0.00959197 194 SER   A HA   
1369 H  HB2  . SER   A 82  ? 0.28726628 0.32082629 0.35500753 0.02970344  -0.02796748 0.00997079  194 SER   A HB2  
1370 H  HB3  . SER   A 82  ? 0.28343946 0.31900358 0.35283011 0.02832074  -0.02582849 0.00921642  194 SER   A HB3  
1371 H  HG   . SER   A 82  ? 0.47653881 0.47653881 0.47653881 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1372 N  N    . GLY   A 83  ? 0.19755241 0.23801836 0.27014059 -0.01013974 -0.00131517 -0.02449432 195 GLY   A N    
1373 C  CA   . GLY   A 83  ? 0.18617126 0.24313618 0.25361156 -0.02025491 0.00488919  -0.01433864 195 GLY   A CA   
1374 C  C    . GLY   A 83  ? 0.17289159 0.24673912 0.25723362 -0.03096622 -0.01444335 -0.00651892 195 GLY   A C    
1375 O  O    . GLY   A 83  ? 0.20005414 0.29551578 0.26664364 -0.03901803 -0.04144214 0.01763222  195 GLY   A O    
1376 H  H    . GLY   A 83  ? 0.20030753 0.24374619 0.26798099 -0.00890398 0.00087959  -0.01949249 195 GLY   A H    
1377 H  HA2  . GLY   A 83  ? 0.18324193 0.24263324 0.25659272 -0.02081703 0.00118417  -0.01457916 195 GLY   A HA2  
1378 H  HA3  . GLY   A 83  ? 0.18566558 0.24250931 0.25781855 -0.02022064 -0.00038877 -0.01535340 195 GLY   A HA3  
1379 N  N    . LYS   A 84  ? 0.13660008 0.21726190 0.24700527 -0.00811408 -0.00966256 -0.00601522 196 LYS   A N    
1380 C  CA   . LYS   A 84  ? 0.13016307 0.22996479 0.23057118 -0.01117916 -0.00893858 -0.00508945 196 LYS   A CA   
1381 C  C    . LYS   A 84  ? 0.12334675 0.21717601 0.23500775 -0.01541266 -0.00257690 0.00130665  196 LYS   A C    
1382 O  O    . LYS   A 84  ? 0.13387895 0.23787230 0.24025828 -0.02199677 -0.01003257 -0.00664656 196 LYS   A O    
1383 C  CB   . LYS   A 84  ? 0.14138035 0.23336540 0.22702669 -0.00650739 -0.00586940 0.00147262  196 LYS   A CB   
1384 C  CG   . LYS   A 84  ? 0.13960223 0.23902884 0.23496255 0.00460473  -0.01439408 -0.00536426 196 LYS   A CG   
1385 C  CD   . LYS   A 84  ? 0.13823715 0.24265423 0.22380669 0.02350271  -0.02319309 -0.01179086 196 LYS   A CD   
1386 C  CE   . LYS   A 84  ? 0.15043576 0.24837171 0.23855777 0.03499850  -0.02642676 -0.02043945 196 LYS   A CE   
1387 N  NZ   . LYS   A 84  ? 0.16302478 0.25493503 0.24427369 0.04489542  -0.01770092 -0.02087838 196 LYS   A NZ   
1388 H  H    . LYS   A 84  ? 0.14140223 0.22669621 0.24461822 -0.01341354 -0.01174905 -0.00586619 196 LYS   A H    
1389 H  HA   . LYS   A 84  ? 0.13055290 0.22628188 0.23342669 -0.01123209 -0.00894733 -0.00322875 196 LYS   A HA   
1390 H  HB2  . LYS   A 84  ? 0.13957718 0.23362976 0.23054448 -0.00478842 -0.00741625 -0.00126266 196 LYS   A HB2  
1391 H  HB3  . LYS   A 84  ? 0.13834129 0.23269472 0.22964799 -0.00479486 -0.00840470 -0.00094703 196 LYS   A HB3  
1392 H  HG2  . LYS   A 84  ? 0.13960086 0.23866430 0.23060024 0.00617109  -0.01443560 -0.00537684 196 LYS   A HG2  
1393 H  HG3  . LYS   A 84  ? 0.14006066 0.23937868 0.23095526 0.00595998  -0.01413753 -0.00582985 196 LYS   A HG3  
1394 H  HD2  . LYS   A 84  ? 0.14059937 0.24256510 0.22910431 0.02165860  -0.02241386 -0.01225225 196 LYS   A HD2  
1395 H  HD3  . LYS   A 84  ? 0.14008328 0.24205005 0.22800711 0.02277402  -0.02323124 -0.01109773 196 LYS   A HD3  
1396 H  HE2  . LYS   A 84  ? 0.14979212 0.24815354 0.23606342 0.03421297  -0.02369363 -0.01840735 196 LYS   A HE2  
1397 H  HE3  . LYS   A 84  ? 0.14981559 0.24837294 0.23617214 0.03454585  -0.02385229 -0.01836613 196 LYS   A HE3  
1398 H  HZ1  . LYS   A 84  ? 0.16020826 0.25350398 0.24325112 0.04158819  -0.01938931 -0.02123559 196 LYS   A HZ1  
1399 H  HZ2  . LYS   A 84  ? 0.16103730 0.25438905 0.24276826 0.04346413  -0.01957350 -0.02033052 196 LYS   A HZ2  
1400 H  HZ3  . LYS   A 84  ? 0.15942776 0.25291759 0.24252650 0.04220377  -0.01999613 -0.02091618 196 LYS   A HZ3  
1401 N  N    . PRO   A 85  ? 0.11073522 0.22240227 0.24704124 -0.01173545 -0.00802353 -0.00534156 197 PRO   A N    
1402 C  CA   . PRO   A 85  ? 0.10483798 0.22901082 0.25391203 -0.01367059 -0.00371509 -0.00843407 197 PRO   A CA   
1403 C  C    . PRO   A 85  ? 0.09584822 0.22542900 0.23965651 -0.00662501 0.00914544  -0.01645797 197 PRO   A C    
1404 O  O    . PRO   A 85  ? 0.10141760 0.23308173 0.24352998 -0.00751748 0.01375098  -0.02222966 197 PRO   A O    
1405 C  CB   . PRO   A 85  ? 0.10092690 0.25395423 0.27537403 -0.01882723 -0.01884867 -0.00857525 197 PRO   A CB   
1406 C  CG   . PRO   A 85  ? 0.13809277 0.26362869 0.28309643 -0.00578244 -0.01225203 -0.00282256 197 PRO   A CG   
1407 C  CD   . PRO   A 85  ? 0.11952325 0.24331883 0.25591147 -0.01455076 -0.00517225 -0.00651193 197 PRO   A CD   
1408 H  HA   . PRO   A 85  ? 0.10421676 0.23109984 0.25347802 -0.01284539 -0.00388899 -0.00948115 197 PRO   A HA   
1409 H  HB2  . PRO   A 85  ? 0.10858995 0.25125447 0.27149740 -0.01440331 -0.01340588 -0.00751094 197 PRO   A HB2  
1410 H  HB3  . PRO   A 85  ? 0.10704931 0.25009346 0.27134085 -0.01484214 -0.01282148 -0.00715745 197 PRO   A HB3  
1411 H  HG2  . PRO   A 85  ? 0.12762700 0.25785202 0.27757514 -0.00885452 -0.01343799 -0.00678942 197 PRO   A HG2  
1412 H  HG3  . PRO   A 85  ? 0.13301064 0.25686014 0.27663043 -0.00890086 -0.00854296 -0.00457972 197 PRO   A HG3  
1413 H  HD2  . PRO   A 85  ? 0.11988869 0.24116072 0.25725469 -0.01177170 -0.00639565 -0.00560272 197 PRO   A HD2  
1414 H  HD3  . PRO   A 85  ? 0.11997043 0.24071515 0.25817737 -0.01260551 -0.00705425 -0.00538765 197 PRO   A HD3  
1415 N  N    . PHE   A 86  ? 0.07784029 0.21804284 0.24589211 -0.00715203 0.01391458  -0.01703552 198 PHE   A N    
1416 C  CA   . PHE   A 86  ? 0.08236747 0.20822704 0.24418691 -0.00877966 -0.00503441 -0.01800569 198 PHE   A CA   
1417 C  C    . PHE   A 86  ? 0.08976366 0.21481381 0.24928887 -0.00996403 0.00131007  -0.01969413 198 PHE   A C    
1418 O  O    . PHE   A 86  ? 0.07653872 0.22314996 0.25576270 0.00700842  -0.00181562 -0.02531007 198 PHE   A O    
1419 C  CB   . PHE   A 86  ? 0.10218167 0.22269657 0.25716490 0.00779310  -0.01608560 -0.01338930 198 PHE   A CB   
1420 C  CG   . PHE   A 86  ? 0.09611225 0.21455219 0.26161531 -0.00006184 -0.01298975 -0.00674073 198 PHE   A CG   
1421 C  CD1  . PHE   A 86  ? 0.12054525 0.22628567 0.25139359 -0.01763755 -0.01827806 -0.00939986 198 PHE   A CD1  
1422 C  CD2  . PHE   A 86  ? 0.16824372 0.23216239 0.27991235 -0.02865325 -0.01748802 -0.00598500 198 PHE   A CD2  
1423 C  CE1  . PHE   A 86  ? 0.15148681 0.23424266 0.25873870 -0.01728203 -0.01393066 -0.00130291 198 PHE   A CE1  
1424 C  CE2  . PHE   A 86  ? 0.19198693 0.25056291 0.28071189 -0.03646224 -0.01450405 -0.00206288 198 PHE   A CE2  
1425 C  CZ   . PHE   A 86  ? 0.15648055 0.25675955 0.26778886 -0.02998796 -0.00995956 -0.00055271 198 PHE   A CZ   
1426 H  H    . PHE   A 86  ? 0.08100000 0.21744834 0.24161792 -0.00767244 0.01065880  -0.01678470 198 PHE   A H    
1427 H  HA   . PHE   A 86  ? 0.08601917 0.21387272 0.24713247 -0.00588877 -0.00162537 -0.01735585 198 PHE   A HA   
1428 H  HB2  . PHE   A 86  ? 0.10104344 0.22005573 0.25491360 0.00571466  -0.01279123 -0.01294224 198 PHE   A HB2  
1429 H  HB3  . PHE   A 86  ? 0.09720497 0.21886171 0.25509632 0.00228692  -0.01281579 -0.01256613 198 PHE   A HB3  
1430 H  HD1  . PHE   A 86  ? 0.12098817 0.22513075 0.25551474 -0.01341863 -0.01560524 -0.00689707 198 PHE   A HD1  
1431 H  HD2  . PHE   A 86  ? 0.15244880 0.23205520 0.27516100 -0.02221930 -0.01515641 -0.00524410 198 PHE   A HD2  
1432 H  HE1  . PHE   A 86  ? 0.14435917 0.23689908 0.25905281 -0.02006355 -0.01408028 -0.00309991 198 PHE   A HE1  
1433 H  HE2  . PHE   A 86  ? 0.17638259 0.24817525 0.27713588 -0.03175201 -0.01424327 -0.00308748 198 PHE   A HE2  
1434 H  HZ   . PHE   A 86  ? 0.16190159 0.24917918 0.26697293 -0.02784142 -0.01144659 -0.00106439 198 PHE   A HZ   
1435 N  N    . LYS   A 87  ? 0.07129674 0.21784469 0.25503963 -0.01003163 -0.00085813 -0.01537675 199 LYS   A N    
1436 C  CA   . LYS   A 87  ? 0.06213509 0.22906750 0.25293440 -0.01139238 -0.00246710 -0.01368091 199 LYS   A CA   
1437 C  C    . LYS   A 87  ? 0.04804531 0.23825426 0.25875199 0.00056413  0.00087375  -0.00497872 199 LYS   A C    
1438 O  O    . LYS   A 87  ? 0.07767946 0.28708914 0.25144678 -0.01239335 0.01355147  -0.01019405 199 LYS   A O    
1439 C  CB   . LYS   A 87  ? 0.07253750 0.23405106 0.26508424 -0.02511664 0.00429562  -0.00853353 199 LYS   A CB   
1440 C  CG   . LYS   A 87  ? 0.10736032 0.23303217 0.27039540 -0.02137951 0.00502025  -0.00383573 199 LYS   A CG   
1441 C  CD   . LYS   A 87  ? 0.15037240 0.25488728 0.29397044 -0.02380722 -0.01120087 0.00723327  199 LYS   A CD   
1442 C  CE   . LYS   A 87  ? 0.18734938 0.28973287 0.29754099 -0.01449327 -0.01687827 0.01748082  199 LYS   A CE   
1443 N  NZ   . LYS   A 87  ? 0.21618634 0.32894719 0.33165568 -0.00398560 -0.02309459 0.03328213  199 LYS   A NZ   
1444 H  H    . LYS   A 87  ? 0.07312674 0.21968366 0.25297269 -0.01008467 -0.00045684 -0.01600576 199 LYS   A H    
1445 H  HA   . LYS   A 87  ? 0.06326801 0.22939296 0.25665000 -0.01099768 0.00007763  -0.01174615 199 LYS   A HA   
1446 H  HB2  . LYS   A 87  ? 0.07422905 0.23299499 0.26282260 -0.02128306 0.00167417  -0.00875745 199 LYS   A HB2  
1447 H  HB3  . LYS   A 87  ? 0.07663746 0.23318325 0.26253161 -0.02093628 0.00324312  -0.00860277 199 LYS   A HB3  
1448 H  HG2  . LYS   A 87  ? 0.10768591 0.23776063 0.27332997 -0.02179526 0.00219878  -0.00275274 199 LYS   A HG2  
1449 H  HG3  . LYS   A 87  ? 0.10559512 0.23764789 0.27178320 -0.02236403 0.00307868  -0.00295931 199 LYS   A HG3  
1450 H  HD2  . LYS   A 87  ? 0.14557390 0.25653225 0.28841540 -0.02144290 -0.00824630 0.00711505  199 LYS   A HD2  
1451 H  HD3  . LYS   A 87  ? 0.14598975 0.25591740 0.28836006 -0.02103757 -0.00805238 0.00678261  199 LYS   A HD3  
1452 H  HE2  . LYS   A 87  ? 0.18093120 0.28717887 0.30227584 -0.01486074 -0.01639836 0.01821911  199 LYS   A HE2  
1453 H  HE3  . LYS   A 87  ? 0.18388738 0.28772363 0.30295068 -0.01387472 -0.01612332 0.01833545  199 LYS   A HE3  
1454 H  HZ1  . LYS   A 87  ? 0.21224838 0.31772196 0.32142854 -0.00422128 -0.01907091 0.02987532  199 LYS   A HZ1  
1455 H  HZ2  . LYS   A 87  ? 0.20819432 0.32096303 0.32149079 -0.00844286 -0.02186287 0.03070547  199 LYS   A HZ2  
1456 H  HZ3  . LYS   A 87  ? 0.21033248 0.31664521 0.32386672 -0.00638947 -0.02392128 0.02807030  199 LYS   A HZ3  
1457 N  N    . ILE   A 88  ? 0.02030892 0.23955685 0.24292628 -0.00875646 0.00676066  -0.00969999 200 ILE   A N    
1458 C  CA   . ILE   A 88  ? 0.03889297 0.22643539 0.23660871 -0.00254228 -0.00134886 -0.01681287 200 ILE   A CA   
1459 C  C    . ILE   A 88  ? 0.05975233 0.21731076 0.23618399 -0.00045286 0.00871593  -0.01554140 200 ILE   A C    
1460 O  O    . ILE   A 88  ? 0.04713047 0.21108957 0.27328029 -0.00600336 0.02160554  -0.02419610 200 ILE   A O    
1461 C  CB   . ILE   A 88  ? 0.05565495 0.23970112 0.23961505 0.00025948  0.00034232  -0.01436110 200 ILE   A CB   
1462 C  CG1  . ILE   A 88  ? 0.07262222 0.23623011 0.23963931 0.00295535  0.00733963  -0.01122294 200 ILE   A CG1  
1463 C  CG2  . ILE   A 88  ? 0.07065491 0.24373685 0.25045878 -0.00937131 -0.00576070 -0.01443919 200 ILE   A CG2  
1464 C  CD1  . ILE   A 88  ? 0.08914936 0.23582825 0.24395138 0.00112528  0.00066321  -0.01348975 200 ILE   A CD1  
1465 H  H    . ILE   A 88  ? 0.02420813 0.23575324 0.24201414 -0.00678124 0.00793864  -0.00934815 200 ILE   A H    
1466 H  HA   . ILE   A 88  ? 0.04263399 0.22973916 0.23869777 -0.00293217 0.00238091  -0.01474838 200 ILE   A HA   
1467 H  HB   . ILE   A 88  ? 0.05677027 0.23693633 0.24059889 -0.00134750 0.00116641  -0.01445451 200 ILE   A HB   
1468 H  HG12 . ILE   A 88  ? 0.07086104 0.23696359 0.24034292 0.00227442  0.00523064  -0.01249210 200 ILE   A HG12 
1469 H  HG13 . ILE   A 88  ? 0.07332809 0.23711920 0.24153844 0.00229929  0.00523715  -0.01193266 200 ILE   A HG13 
1470 H  HG21 . ILE   A 88  ? 0.06745157 0.24310508 0.24849591 -0.00645477 -0.00406565 -0.01467957 200 ILE   A HG21 
1471 H  HG22 . ILE   A 88  ? 0.06908818 0.24285641 0.24889143 -0.00667503 -0.00586535 -0.01428102 200 ILE   A HG22 
1472 H  HG23 . ILE   A 88  ? 0.06694195 0.24361217 0.24773899 -0.00666270 -0.00427543 -0.01421895 200 ILE   A HG23 
1473 H  HD11 . ILE   A 88  ? 0.08753189 0.23605582 0.24369553 0.00114464  0.00096215  -0.01248096 200 ILE   A HD11 
1474 H  HD12 . ILE   A 88  ? 0.08499476 0.23589107 0.24295852 0.00157784  0.00232824  -0.01272961 200 ILE   A HD12 
1475 H  HD13 . ILE   A 88  ? 0.08515654 0.23609979 0.24322575 0.00159775  0.00250433  -0.01263423 200 ILE   A HD13 
1476 N  N    . GLN   A 89  ? 0.08697749 0.21916746 0.25543982 -0.00476639 0.00722134  -0.02170324 201 GLN   A N    
1477 C  CA   . GLN   A 89  ? 0.08319202 0.21953744 0.25888097 0.00095584  -0.00110305 -0.03102881 201 GLN   A CA   
1478 C  C    . GLN   A 89  ? 0.06713657 0.22366261 0.25840825 -0.00668236 0.00616352  -0.02575754 201 GLN   A C    
1479 O  O    . GLN   A 89  ? 0.08045483 0.23783940 0.26115951 -0.00015954 0.02068412  -0.03886789 201 GLN   A O    
1480 C  CB   . GLN   A 89  ? 0.11016670 0.23411822 0.27182731 0.01371366  -0.01235166 -0.03294676 201 GLN   A CB   
1481 C  CG   . GLN   A 89  ? 0.13307330 0.25775430 0.30470774 0.01989445  -0.03339473 -0.02577148 201 GLN   A CG   
1482 C  CD   . GLN   A 89  ? 0.21404050 0.28690544 0.32189268 0.01014067  -0.04052643 -0.02163003 201 GLN   A CD   
1483 O  OE1  . GLN   A 89  ? 0.28152427 0.31215414 0.31418586 0.00825597  -0.01562289 -0.02179034 201 GLN   A OE1  
1484 N  NE2  . GLN   A 89  ? 0.23541352 0.32076618 0.37225971 0.03283058  -0.04126663 -0.00051246 201 GLN   A NE2  
1485 H  H    . GLN   A 89  ? 0.08099952 0.21943751 0.25247711 -0.00351604 0.00373413  -0.02123138 201 GLN   A H    
1486 H  HA   . GLN   A 89  ? 0.08428449 0.22282812 0.26050645 0.00092171  0.00049283  -0.02860855 201 GLN   A HA   
1487 H  HB2  . GLN   A 89  ? 0.10690554 0.23464750 0.27381325 0.01218350  -0.01280704 -0.03135151 201 GLN   A HB2  
1488 H  HB3  . GLN   A 89  ? 0.10747932 0.23446050 0.27444354 0.01173609  -0.01328310 -0.03101897 201 GLN   A HB3  
1489 H  HG2  . GLN   A 89  ? 0.14181557 0.25707874 0.29936129 0.01630206  -0.02900616 -0.02623580 201 GLN   A HG2  
1490 H  HG3  . GLN   A 89  ? 0.14080045 0.25758010 0.29840666 0.01635127  -0.02868352 -0.02623574 201 GLN   A HG3  
1491 H  HE21 . GLN   A 89  ? 0.22938311 0.30763134 0.35811329 0.02432426  -0.04482815 -0.00755858 201 GLN   A HE21 
1492 H  HE22 . GLN   A 89  ? 0.22855738 0.30961394 0.35826698 0.02471558  -0.04117874 -0.00983876 201 GLN   A HE22 
1493 N  N    . VAL   A 90  ? 0.04590500 0.21476847 0.26312268 0.00037325  0.00109266  -0.02925783 202 VAL   A N    
1494 C  CA   . VAL   A 90  ? 0.05840917 0.21289735 0.25081655 0.01438358  -0.00374213 -0.02888957 202 VAL   A CA   
1495 C  C    . VAL   A 90  ? 0.09500332 0.20684038 0.25672719 0.00582490  0.00426587  -0.03284942 202 VAL   A C    
1496 O  O    . VAL   A 90  ? 0.10185231 0.21411054 0.27470639 0.01687273  -0.00394287 -0.03836872 202 VAL   A O    
1497 C  CB   . VAL   A 90  ? 0.07879525 0.23892945 0.24678361 0.01863902  0.00437548  -0.02673317 202 VAL   A CB   
1498 C  CG1  . VAL   A 90  ? 0.10560170 0.26159394 0.25074494 0.01684647  -0.01333066 -0.03063724 202 VAL   A CG1  
1499 C  CG2  . VAL   A 90  ? 0.10203659 0.24774823 0.23583350 0.02461643  0.01620682  -0.01481252 202 VAL   A CG2  
1500 H  H    . VAL   A 90  ? 0.04843047 0.21635672 0.25875595 0.00257957  0.00281294  -0.02855703 202 VAL   A H    
1501 H  HA   . VAL   A 90  ? 0.06233962 0.21642560 0.25356349 0.01175203  0.00201182  -0.02974420 202 VAL   A HA   
1502 H  HB   . VAL   A 90  ? 0.08016019 0.23760381 0.24619856 0.01970117  0.00311912  -0.02631919 202 VAL   A HB   
1503 H  HG11 . VAL   A 90  ? 0.10315691 0.25584903 0.25136429 0.01542165  -0.01079856 -0.02845997 202 VAL   A HG11 
1504 H  HG12 . VAL   A 90  ? 0.09854429 0.25770721 0.25021076 0.01679075  -0.00839759 -0.02910889 202 VAL   A HG12 
1505 H  HG13 . VAL   A 90  ? 0.09855146 0.25550759 0.25107628 0.01694914  -0.00848987 -0.02959806 202 VAL   A HG13 
1506 H  HG21 . VAL   A 90  ? 0.09573781 0.24480213 0.23744658 0.02297116  0.01322667  -0.01734463 202 VAL   A HG21 
1507 H  HG22 . VAL   A 90  ? 0.09865522 0.24522910 0.24055612 0.02404934  0.01499967  -0.01730700 202 VAL   A HG22 
1508 H  HG23 . VAL   A 90  ? 0.09658945 0.24520618 0.23952062 0.02258178  0.01266118  -0.01771586 202 VAL   A HG23 
1509 N  N    . LEU   A 91  ? 0.09406471 0.22006282 0.26083767 0.01404239  0.00965850  -0.02242436 203 LEU   A N    
1510 C  CA   . LEU   A 91  ? 0.12169174 0.22351623 0.27110419 0.01905071  -0.00304700 -0.01716755 203 LEU   A CA   
1511 C  C    . LEU   A 91  ? 0.12151773 0.20621952 0.26446530 0.00729357  0.00601192  -0.01631127 203 LEU   A C    
1512 O  O    . LEU   A 91  ? 0.10320751 0.21625727 0.28491929 0.00292896  0.01210941  -0.02448962 203 LEU   A O    
1513 C  CB   . LEU   A 91  ? 0.15650941 0.25336349 0.28188863 0.01808711  -0.00355758 -0.00229347 203 LEU   A CB   
1514 C  CG   . LEU   A 91  ? 0.23659271 0.27613929 0.30868974 0.01435116  0.01332862  0.00675857  203 LEU   A CG   
1515 C  CD1  . LEU   A 91  ? 0.25052434 0.27589175 0.32150689 0.01592192  0.00754977  0.02477351  203 LEU   A CD1  
1516 C  CD2  . LEU   A 91  ? 0.30816340 0.31999308 0.33274233 0.00824196  0.02702573  0.00737854  203 LEU   A CD2  
1517 H  H    . LEU   A 91  ? 0.09726310 0.21620479 0.26108226 0.01450894  0.00657064  -0.02474494 203 LEU   A H    
1518 H  HA   . LEU   A 91  ? 0.12052161 0.22349311 0.26935059 0.01585706  0.00147020  -0.01564883 203 LEU   A HA   
1519 H  HB2  . LEU   A 91  ? 0.15875486 0.24828720 0.28225216 0.01729444  -0.00083250 -0.00481057 203 LEU   A HB2  
1520 H  HB3  . LEU   A 91  ? 0.15859786 0.24826333 0.28297305 0.01745947  -0.00008501 -0.00464405 203 LEU   A HB3  
1521 H  HG   . LEU   A 91  ? 0.22895306 0.27616110 0.30857614 0.01516660  0.01217247  0.00876481  203 LEU   A HG   
1522 H  HD11 . LEU   A 91  ? 0.24302965 0.27435583 0.31903410 0.01563852  0.00864694  0.01846193  203 LEU   A HD11 
1523 H  HD12 . LEU   A 91  ? 0.24567069 0.27503708 0.31809816 0.01553475  0.00938772  0.01935650  203 LEU   A HD12 
1524 H  HD13 . LEU   A 91  ? 0.24666531 0.27580106 0.31906912 0.01612305  0.01035345  0.01978993  203 LEU   A HD13 
1525 H  HD21 . LEU   A 91  ? 0.29536286 0.31028071 0.32606345 0.00521437  0.02282725  0.00803019  203 LEU   A HD21 
1526 H  HD22 . LEU   A 91  ? 0.28882462 0.30818605 0.32942125 0.01106137  0.02648082  0.00946418  203 LEU   A HD22 
1527 H  HD23 . LEU   A 91  ? 0.28649682 0.31361943 0.32568085 0.01053034  0.02336404  0.00727889  203 LEU   A HD23 
1528 N  N    . VAL   A 92  ? 0.11229803 0.20313258 0.25525016 0.01059111  0.00411342  -0.01359472 204 VAL   A N    
1529 C  CA   . VAL   A 92  ? 0.15435863 0.19479004 0.25856230 0.00313494  0.00224994  -0.01263934 204 VAL   A CA   
1530 C  C    . VAL   A 92  ? 0.17453294 0.20326385 0.26522547 -0.00317046 -0.00090609 -0.00260275 204 VAL   A C    
1531 O  O    . VAL   A 92  ? 0.16127589 0.19983211 0.30224347 -0.00533217 0.00249673  0.00540983  204 VAL   A O    
1532 C  CB   . VAL   A 92  ? 0.16463462 0.20407742 0.26646659 0.01030930  0.01026953  -0.01254196 204 VAL   A CB   
1533 C  CG1  . VAL   A 92  ? 0.16326658 0.20641075 0.27439696 0.00970289  -0.00017850 -0.01562997 204 VAL   A CG1  
1534 C  CG2  . VAL   A 92  ? 0.16146334 0.21879311 0.26445687 0.00683957  0.02002410  -0.01086376 204 VAL   A CG2  
1535 H  H    . VAL   A 92  ? 0.11527997 0.20194043 0.25839037 0.01085060  0.00356799  -0.01374912 204 VAL   A H    
1536 H  HA   . VAL   A 92  ? 0.15046515 0.20001373 0.26046371 0.00457388  0.00363562  -0.01094937 204 VAL   A HA   
1537 H  HB   . VAL   A 92  ? 0.16149676 0.20475610 0.26593670 0.00837310  0.00855330  -0.01259569 204 VAL   A HB   
1538 H  HG11 . VAL   A 92  ? 0.16389593 0.20582600 0.27235609 0.00995477  0.00264816  -0.01461186 204 VAL   A HG11 
1539 H  HG12 . VAL   A 92  ? 0.16420116 0.20634040 0.27239037 0.01017728  0.00254052  -0.01474447 204 VAL   A HG12 
1540 H  HG13 . VAL   A 92  ? 0.16453052 0.20598759 0.27331111 0.00965783  0.00191635  -0.01431926 204 VAL   A HG13 
1541 H  HG21 . VAL   A 92  ? 0.16175830 0.21447201 0.26452574 0.00792878  0.01790883  -0.01152295 204 VAL   A HG21 
1542 H  HG22 . VAL   A 92  ? 0.16208726 0.21456635 0.26562512 0.00793496  0.01779283  -0.01126522 204 VAL   A HG22 
1543 H  HG23 . VAL   A 92  ? 0.16290978 0.21584980 0.26524839 0.00691309  0.01775376  -0.01186578 204 VAL   A HG23 
1544 N  N    . GLU   A 93  ? 0.16553617 0.19892254 0.25080374 -0.00055308 -0.00220809 0.01358139  205 GLU   A N    
1545 C  CA   . GLU   A 93  ? 0.18209542 0.20745246 0.26929778 -0.01278544 0.00100434  0.00802997  205 GLU   A CA   
1546 C  C    . GLU   A 93  ? 0.17817907 0.21109787 0.25341609 -0.02353235 0.00753408  0.01493727  205 GLU   A C    
1547 O  O    . GLU   A 93  ? 0.16201064 0.20673090 0.25159883 -0.03460795 -0.00366649 0.01741507  205 GLU   A O    
1548 C  CB   . GLU   A 93  ? 0.19729532 0.22461589 0.28704756 -0.01156702 0.01545029  0.00799635  205 GLU   A CB   
1549 C  CG   . GLU   A 93  ? 0.25748134 0.26745182 0.31035209 -0.01115150 -0.00125380 0.00637343  205 GLU   A CG   
1550 C  CD   . GLU   A 93  ? 0.31507167 0.36707261 0.37064010 -0.01402171 0.02282470  0.00436478  205 GLU   A CD   
1551 O  OE1  . GLU   A 93  ? 0.34206945 0.42830193 0.46196800 0.03284660  0.05276358  0.00220007  205 GLU   A OE1  
1552 O  OE2  . GLU   A 93  ? 0.44328281 0.47399658 0.43372682 -0.04573931 0.01445898  -0.01071373 205 GLU   A OE2  
1553 H  H    . GLU   A 93  ? 0.16985622 0.19736114 0.25731128 -0.00156766 -0.00206600 0.01020871  205 GLU   A H    
1554 H  HA   . GLU   A 93  ? 0.18034576 0.20940652 0.26551417 -0.01231604 0.00417418  0.01025835  205 GLU   A HA   
1555 H  HB2  . GLU   A 93  ? 0.20314626 0.22690651 0.28637594 -0.01202405 0.00851695  0.00807431  205 GLU   A HB2  
1556 H  HB3  . GLU   A 93  ? 0.20235868 0.22571693 0.28639227 -0.01373730 0.00941333  0.00857060  205 GLU   A HB3  
1557 H  HG2  . GLU   A 93  ? 0.24821986 0.26991004 0.31254071 -0.01137540 0.00780169  0.00659034  205 GLU   A HG2  
1558 H  HG3  . GLU   A 93  ? 0.24812111 0.27069798 0.31222734 -0.01061447 0.00757003  0.00630423  205 GLU   A HG3  
1559 N  N    . PRO   A 94  ? 0.18662363 0.20952287 0.25819063 -0.02825582 0.01018784  0.01302766  206 PRO   A N    
1560 C  CA   . PRO   A 94  ? 0.18409893 0.22048390 0.26670730 -0.03965649 0.01321834  0.00311815  206 PRO   A CA   
1561 C  C    . PRO   A 94  ? 0.17520829 0.19708191 0.24602902 -0.04218804 0.01674528  -0.00767443 206 PRO   A C    
1562 O  O    . PRO   A 94  ? 0.17496923 0.24527405 0.25322670 -0.03030303 0.01640148  -0.01665375 206 PRO   A O    
1563 C  CB   . PRO   A 94  ? 0.20973963 0.21479505 0.28087303 -0.04159399 0.01380057  -0.00097646 206 PRO   A CB   
1564 C  CG   . PRO   A 94  ? 0.21139318 0.22661227 0.28732187 -0.03666528 0.01906265  0.01501116  206 PRO   A CG   
1565 C  CD   . PRO   A 94  ? 0.18788478 0.22989336 0.26982832 -0.02852112 0.01322931  0.01361979  206 PRO   A CD   
1566 H  HA   . PRO   A 94  ? 0.18740843 0.21285230 0.26360825 -0.03829629 0.01310948  0.00244705  206 PRO   A HA   
1567 H  HB2  . PRO   A 94  ? 0.20665137 0.21832642 0.27864665 -0.04075340 0.01379832  0.00337873  206 PRO   A HB2  
1568 H  HB3  . PRO   A 94  ? 0.20446788 0.21691331 0.27729383 -0.04029911 0.01452052  0.00192604  206 PRO   A HB3  
1569 H  HG2  . PRO   A 94  ? 0.20582168 0.22454876 0.28153589 -0.03619283 0.01653737  0.01141509  206 PRO   A HG2  
1570 H  HG3  . PRO   A 94  ? 0.20768020 0.22516322 0.28198501 -0.03696135 0.01570865  0.01159814  206 PRO   A HG3  
1571 H  HD2  . PRO   A 94  ? 0.19124970 0.22399442 0.26988083 -0.02965962 0.01418310  0.01352515  206 PRO   A HD2  
1572 H  HD3  . PRO   A 94  ? 0.19052526 0.22391769 0.26972055 -0.02978510 0.01280113  0.01372403  206 PRO   A HD3  
1573 N  N    . ASP   A 95  ? 0.15979961 0.21151906 0.24608445 -0.04241096 0.01198242  -0.00004308 207 ASP   A N    
1574 C  CA   . ASP   A 95  ? 0.15252759 0.22260684 0.26861399 -0.04213039 0.00762027  -0.00125764 207 ASP   A CA   
1575 C  C    . ASP   A 95  ? 0.16384284 0.22121719 0.25514197 -0.03801581 -0.00336454 -0.00331960 207 ASP   A C    
1576 O  O    . ASP   A 95  ? 0.14225432 0.22208203 0.24488367 -0.04907880 -0.00475586 0.00033510  207 ASP   A O    
1577 C  CB   . ASP   A 95  ? 0.13828364 0.23487960 0.26775077 -0.03892442 0.00345826  -0.00135247 207 ASP   A CB   
1578 C  CG   . ASP   A 95  ? 0.18020056 0.24806935 0.26216003 -0.05120423 0.00631005  -0.00226756 207 ASP   A CG   
1579 O  OD1  . ASP   A 95  ? 0.18445024 0.25300139 0.28170106 -0.06581025 0.03214251  -0.01667608 207 ASP   A OD1  
1580 O  OD2  . ASP   A 95  ? 0.21170837 0.25604483 0.28904969 -0.06280831 0.04421447  -0.00441466 207 ASP   A OD2  
1581 H  H    . ASP   A 95  ? 0.16209649 0.21053289 0.24848238 -0.04206320 0.01186050  -0.00199500 207 ASP   A H    
1582 H  HA   . ASP   A 95  ? 0.15396249 0.22273277 0.26457626 -0.04076986 0.00616441  -0.00086248 207 ASP   A HA   
1583 H  HB2  . ASP   A 95  ? 0.15152730 0.23523657 0.26747525 -0.04232673 0.00551832  -0.00147291 207 ASP   A HB2  
1584 H  HB3  . ASP   A 95  ? 0.14885905 0.23244770 0.26645973 -0.04014422 0.00433328  -0.00062921 207 ASP   A HB3  
1585 N  N    . HIS   A 96  ? 0.14921449 0.21932584 0.27073812 -0.02684166 -0.00887975 -0.00549373 208 HIS   A N    
1586 C  CA   . HIS   A 96  ? 0.09979945 0.21370003 0.26899892 -0.03005853 0.00182664  0.00052823  208 HIS   A CA   
1587 C  C    . HIS   A 96  ? 0.10846479 0.20635939 0.25734243 -0.03344888 -0.00488407 0.00482371  208 HIS   A C    
1588 O  O    . HIS   A 96  ? 0.12448987 0.20249313 0.26389113 -0.03654619 -0.01337342 0.00844513  208 HIS   A O    
1589 C  CB   . HIS   A 96  ? 0.13223289 0.22518609 0.29619113 -0.03518495 0.00901863  -0.00338188 208 HIS   A CB   
1590 C  CG   . HIS   A 96  ? 0.18386912 0.26117086 0.31543899 -0.05391308 0.00791742  0.00962493  208 HIS   A CG   
1591 N  ND1  . HIS   A 96  ? 0.23439516 0.28907955 0.35128909 -0.06752457 0.03614043  0.04345989  208 HIS   A ND1  
1592 C  CD2  . HIS   A 96  ? 0.15750962 0.30925113 0.35039961 -0.05573996 0.00171421  0.03982404  208 HIS   A CD2  
1593 C  CE1  . HIS   A 96  ? 0.21047106 0.28889826 0.35312265 -0.06926401 0.02008173  0.05098690  208 HIS   A CE1  
1594 N  NE2  . HIS   A 96  ? 0.20125146 0.29984415 0.35352218 -0.04696178 0.01163578  0.04595166  208 HIS   A NE2  
1595 H  H    . HIS   A 96  ? 0.14075229 0.21841301 0.26648122 -0.03055515 -0.00450264 -0.00343984 208 HIS   A H    
1596 H  HA   . HIS   A 96  ? 0.11586390 0.21492054 0.27004877 -0.03092690 -0.00036380 0.00009065  208 HIS   A HA   
1597 H  HB2  . HIS   A 96  ? 0.13256793 0.22705275 0.29176119 -0.03781218 0.00690447  0.00012472  208 HIS   A HB2  
1598 H  HB3  . HIS   A 96  ? 0.13361578 0.22963311 0.29238197 -0.03760156 0.00713567  0.00046381  208 HIS   A HB3  
1599 H  HD1  . HIS   A 96  ? 0.33190283 0.33190283 0.33190283 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1600 H  HD2  . HIS   A 96  ? 0.16912864 0.29158172 0.34136623 -0.05598720 0.00584546  0.03356185  208 HIS   A HD2  
1601 H  HE1  . HIS   A 96  ? 0.21135141 0.28893006 0.35072941 -0.06518033 0.02307879  0.04966721  208 HIS   A HE1  
1602 H  HE2  . HIS   A 96  ? 0.28782812 0.28782812 0.28782812 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1603 N  N    . PHE   A 97  ? 0.09889249 0.20514560 0.25128996 -0.03346538 -0.00101609 0.00447313  209 PHE   A N    
1604 C  CA   . PHE   A 97  ? 0.09315698 0.19765486 0.25814757 -0.02725345 -0.00133109 -0.00608320 209 PHE   A CA   
1605 C  C    . PHE   A 97  ? 0.11618408 0.20313333 0.25565958 -0.02428253 -0.00167250 -0.00684821 209 PHE   A C    
1606 O  O    . PHE   A 97  ? 0.12279516 0.23150827 0.27938038 0.00616629  0.00418853  -0.01491318 209 PHE   A O    
1607 C  CB   . PHE   A 97  ? 0.08119108 0.20588738 0.26113194 -0.04296650 -0.00798751 -0.00892138 209 PHE   A CB   
1608 C  CG   . PHE   A 97  ? 0.07926656 0.21332265 0.26571909 -0.04970742 -0.00170519 -0.00748313 209 PHE   A CG   
1609 C  CD1  . PHE   A 97  ? 0.07761706 0.24111478 0.26228407 -0.04326288 0.00083478  -0.00752345 209 PHE   A CD1  
1610 C  CD2  . PHE   A 97  ? 0.13366832 0.20993099 0.27299067 -0.03708761 -0.00900998 -0.00592715 209 PHE   A CD2  
1611 C  CE1  . PHE   A 97  ? 0.11977317 0.25392413 0.27180865 -0.02303589 0.00935944  -0.01156757 209 PHE   A CE1  
1612 C  CE2  . PHE   A 97  ? 0.14466299 0.22419040 0.28072625 -0.03021611 -0.00216882 -0.01153243 209 PHE   A CE2  
1613 C  CZ   . PHE   A 97  ? 0.12856688 0.23327050 0.25201681 -0.03664943 0.01894620  -0.01283740 209 PHE   A CZ   
1614 H  H    . PHE   A 97  ? 0.09957290 0.20363630 0.25434121 -0.03189383 -0.00217500 0.00224600  209 PHE   A H    
1615 H  HA   . PHE   A 97  ? 0.09429995 0.19983990 0.25703111 -0.02888835 -0.00284732 -0.00429848 209 PHE   A HA   
1616 H  HB2  . PHE   A 97  ? 0.08375654 0.20584752 0.26137939 -0.04114226 -0.00533764 -0.00811673 209 PHE   A HB2  
1617 H  HB3  . PHE   A 97  ? 0.08138201 0.20510721 0.26030403 -0.04207497 -0.00668012 -0.00885414 209 PHE   A HB3  
1618 H  HD1  . PHE   A 97  ? 0.08581945 0.23591621 0.26290986 -0.04010126 0.00056364  -0.00799744 209 PHE   A HD1  
1619 H  HD2  . PHE   A 97  ? 0.12645501 0.21523130 0.27227837 -0.04110480 -0.00592320 -0.00733799 209 PHE   A HD2  
1620 H  HE1  . PHE   A 97  ? 0.11260475 0.24521929 0.26472345 -0.03226879 0.00908477  -0.01063517 209 PHE   A HE1  
1621 H  HE2  . PHE   A 97  ? 0.13755304 0.22313705 0.27340639 -0.03355126 0.00274938  -0.01063273 209 PHE   A HE2  
1622 H  HZ   . PHE   A 97  ? 0.12866044 0.23503007 0.25660974 -0.03162511 0.01416348  -0.01368885 209 PHE   A HZ   
1623 N  N    . LYS   A 98  ? 0.09300038 0.21642178 0.25779262 -0.01307630 0.01056294  -0.00683952 210 LYS   A N    
1624 C  CA   . LYS   A 98  ? 0.10342569 0.22678632 0.26921776 -0.01436891 0.01108712  -0.02200297 210 LYS   A CA   
1625 C  C    . LYS   A 98  ? 0.08597369 0.22781810 0.26065475 -0.00951363 0.01786757  -0.01608510 210 LYS   A C    
1626 O  O    . LYS   A 98  ? 0.08621593 0.24372360 0.31169927 -0.00574565 0.02500070  -0.03970610 210 LYS   A O    
1627 C  CB   . LYS   A 98  ? 0.14560795 0.25921115 0.29095715 -0.02707027 0.01255066  -0.01374564 210 LYS   A CB   
1628 C  CG   . LYS   A 98  ? 0.19978249 0.27748838 0.30057961 -0.02791137 0.01099800  -0.01700997 210 LYS   A CG   
1629 C  CD   . LYS   A 98  ? 0.31163603 0.32241133 0.34427118 -0.00597322 0.01363026  -0.00023448 210 LYS   A CD   
1630 H  H    . LYS   A 98  ? 0.09860832 0.21302804 0.25963360 -0.01402322 0.00798479  -0.01035935 210 LYS   A H    
1631 H  HA   . LYS   A 98  ? 0.10290103 0.22898148 0.26793802 -0.01451836 0.01239903  -0.01621712 210 LYS   A HA   
1632 H  HB2  . LYS   A 98  ? 0.14502805 0.25409332 0.28672093 -0.02371380 0.01198464  -0.01635782 210 LYS   A HB2  
1633 H  HB3  . LYS   A 98  ? 0.14709744 0.25470504 0.28680018 -0.02505718 0.01162975  -0.01625495 210 LYS   A HB3  
1634 H  HG2  . LYS   A 98  ? 0.19894400 0.27584854 0.30392134 -0.02465323 0.01194419  -0.01333075 210 LYS   A HG2  
1635 H  HG3  . LYS   A 98  ? 0.20041396 0.27893266 0.30427691 -0.02389993 0.01196383  -0.01316854 210 LYS   A HG3  
1636 H  HD2  . LYS   A 98  ? 0.27272364 0.32027173 0.32763207 -0.00444433 0.01387328  -0.00439814 210 LYS   A HD2  
1637 H  HD3  . LYS   A 98  ? 0.41736725 0.41736725 0.41736725 0.00000000  0.00000000  0.00000000  210 LYS   A HD3  
1638 N  N    . VAL   A 99  ? 0.05615268 0.21755800 0.24405922 0.00065395  0.01243249  -0.00732417 211 VAL   A N    
1639 C  CA   . VAL   A 99  ? 0.05895162 0.21274112 0.23838235 0.00679776  0.00694507  -0.00599539 211 VAL   A CA   
1640 C  C    . VAL   A 99  ? 0.06834037 0.21253763 0.23044094 0.00466322  0.02008882  -0.00382192 211 VAL   A C    
1641 O  O    . VAL   A 99  ? 0.07308925 0.24605545 0.23437566 0.00304465  0.03055951  -0.01180963 211 VAL   A O    
1642 C  CB   . VAL   A 99  ? 0.06696238 0.22081968 0.24869883 0.01118518  0.00553803  0.00760806  211 VAL   A CB   
1643 C  CG1  . VAL   A 99  ? 0.09270693 0.21910989 0.25122568 0.00936157  -0.00110918 0.00982342  211 VAL   A CG1  
1644 C  CG2  . VAL   A 99  ? 0.09378988 0.23848300 0.25750399 0.00997634  -0.00345926 0.00818303  211 VAL   A CG2  
1645 H  H    . VAL   A 99  ? 0.05730754 0.21837942 0.24647382 0.00121162  0.01305824  -0.00922149 211 VAL   A H    
1646 H  HA   . VAL   A 99  ? 0.06028117 0.21508518 0.24005373 0.00630496  0.01086365  -0.00413983 211 VAL   A HA   
1647 H  HB   . VAL   A 99  ? 0.06925520 0.22087058 0.24800082 0.01179884  0.00457414  0.00483997  211 VAL   A HB   
1648 H  HG11 . VAL   A 99  ? 0.08979608 0.22039308 0.25077075 0.00790531  -0.00018073 0.00968094  211 VAL   A HG11 
1649 H  HG12 . VAL   A 99  ? 0.08587901 0.21975905 0.25087750 0.00942974  0.00074335  0.00938008  211 VAL   A HG12 
1650 H  HG13 . VAL   A 99  ? 0.08594653 0.21953116 0.25046626 0.00950501  0.00064224  0.00950110  211 VAL   A HG13 
1651 H  HG21 . VAL   A 99  ? 0.08686774 0.23492563 0.25540361 0.00996669  -0.00065696 0.00736676  211 VAL   A HG21 
1652 H  HG22 . VAL   A 99  ? 0.08835902 0.23484582 0.25500950 0.01154612  -0.00027399 0.00838193  211 VAL   A HG22 
1653 H  HG23 . VAL   A 99  ? 0.09087172 0.23470102 0.25535911 0.00818612  -0.00205116 0.00871406  211 VAL   A HG23 
1654 N  N    . ALA   A 100 ? 0.08807295 0.22219893 0.22937740 -0.01543855 0.00746251  -0.01001541 212 ALA   A N    
1655 C  CA   . ALA   A 100 ? 0.09172143 0.22113624 0.22262600 -0.01639916 0.01361629  -0.00806002 212 ALA   A CA   
1656 C  C    . ALA   A 100 ? 0.09120849 0.22976252 0.22569348 -0.02243456 0.01830050  -0.01456650 212 ALA   A C    
1657 O  O    . ALA   A 100 ? 0.11123473 0.23054802 0.23552686 -0.01942871 0.03799189  -0.01745562 212 ALA   A O    
1658 C  CB   . ALA   A 100 ? 0.10337012 0.23476739 0.24201050 -0.00884917 0.00571748  -0.00319223 212 ALA   A CB   
1659 H  H    . ALA   A 100 ? 0.08790400 0.22038586 0.22987252 -0.01214485 0.00942605  -0.00688227 212 ALA   A H    
1660 H  HA   . ALA   A 100 ? 0.09129863 0.22507124 0.22762921 -0.01546771 0.01259635  -0.00889343 212 ALA   A HA   
1661 H  HB1  . ALA   A 100 ? 0.10216384 0.23260126 0.23641005 -0.00929171 0.00810102  -0.00436646 212 ALA   A HB1  
1662 H  HB2  . ALA   A 100 ? 0.10227309 0.23136447 0.23665477 -0.01167369 0.00746449  -0.00406357 212 ALA   A HB2  
1663 H  HB3  . ALA   A 100 ? 0.10061036 0.23129205 0.23850092 -0.01079098 0.00839469  -0.00358058 212 ALA   A HB3  
1664 N  N    . VAL   A 101 ? 0.07117146 0.21650350 0.22584727 -0.02525380 0.01610619  -0.00731342 213 VAL   A N    
1665 C  CA   . VAL   A 101 ? 0.06771948 0.21182200 0.23225796 -0.01543472 0.01833734  -0.01014295 213 VAL   A CA   
1666 C  C    . VAL   A 101 ? 0.08311042 0.22268434 0.23067479 -0.00505104 0.01176081  -0.00771304 213 VAL   A C    
1667 O  O    . VAL   A 101 ? 0.10375561 0.24827293 0.22513717 -0.01947488 0.02198062  -0.01301771 213 VAL   A O    
1668 C  CB   . VAL   A 101 ? 0.08693840 0.21451133 0.23170222 -0.00710500 0.00755457  -0.00146630 213 VAL   A CB   
1669 C  CG1  . VAL   A 101 ? 0.10422460 0.20495717 0.23713776 -0.00407858 0.00176142  0.00305700  213 VAL   A CG1  
1670 C  CG2  . VAL   A 101 ? 0.09372641 0.22690739 0.24240272 -0.00223184 -0.00072103 -0.00382749 213 VAL   A CG2  
1671 H  H    . VAL   A 101 ? 0.07398803 0.21844953 0.22680548 -0.02218981 0.01776387  -0.00962970 213 VAL   A H    
1672 H  HA   . VAL   A 101 ? 0.07130034 0.21541829 0.22903509 -0.01289552 0.01729124  -0.00842027 213 VAL   A HA   
1673 H  HB   . VAL   A 101 ? 0.08698677 0.21454819 0.23457417 -0.00684929 0.00752676  -0.00289010 213 VAL   A HB   
1674 H  HG11 . VAL   A 101 ? 0.10157566 0.20788640 0.23649879 -0.00550108 0.00199038  0.00228103  213 VAL   A HG11 
1675 H  HG12 . VAL   A 101 ? 0.09954972 0.20779718 0.23627558 -0.00492015 0.00326436  0.00198443  213 VAL   A HG12 
1676 H  HG13 . VAL   A 101 ? 0.09967680 0.20691846 0.23582520 -0.00430940 0.00285518  0.00234202  213 VAL   A HG13 
1677 H  HG21 . VAL   A 101 ? 0.09246764 0.22436827 0.23939942 -0.00392635 0.00175194  -0.00332573 213 VAL   A HG21 
1678 H  HG22 . VAL   A 101 ? 0.09336155 0.22458912 0.23924114 -0.00268484 0.00182463  -0.00296339 213 VAL   A HG22 
1679 H  HG23 . VAL   A 101 ? 0.09358241 0.22379240 0.23991819 -0.00408500 0.00077242  -0.00273434 213 VAL   A HG23 
1680 N  N    . ASN   A 102 ? 0.07779802 0.22347409 0.22776765 -0.00604030 0.01143148  -0.00721832 214 ASN   A N    
1681 C  CA   . ASN   A 102 ? 0.09492130 0.22786905 0.23144671 -0.00643056 0.00397843  -0.00805548 214 ASN   A CA   
1682 C  C    . ASN   A 102 ? 0.11013746 0.22968288 0.23380709 -0.00578324 -0.00241982 -0.00188282 214 ASN   A C    
1683 O  O    . ASN   A 102 ? 0.16668659 0.26267076 0.24661426 -0.02452258 0.00934383  -0.00943723 214 ASN   A O    
1684 C  CB   . ASN   A 102 ? 0.07745855 0.22902687 0.23960698 -0.01370167 0.00744754  -0.00897817 214 ASN   A CB   
1685 C  CG   . ASN   A 102 ? 0.10064682 0.20997769 0.24475674 -0.00489108 0.01462496  -0.01788566 214 ASN   A CG   
1686 O  OD1  . ASN   A 102 ? 0.08358467 0.21925059 0.24905887 -0.00543355 0.00025752  -0.03266795 214 ASN   A OD1  
1687 N  ND2  . ASN   A 102 ? 0.09917966 0.22028506 0.25550070 0.00644184  0.02284780  -0.01493098 214 ASN   A ND2  
1688 H  H    . ASN   A 102 ? 0.08144690 0.22403410 0.22765170 -0.00583153 0.01135528  -0.00777460 214 ASN   A H    
1689 H  HA   . ASN   A 102 ? 0.09346629 0.22761196 0.23277304 -0.00816339 0.00484830  -0.00706032 214 ASN   A HA   
1690 H  HB2  . ASN   A 102 ? 0.08152217 0.22437096 0.23874041 -0.00883506 0.00904204  -0.01094469 214 ASN   A HB2  
1691 H  HB3  . ASN   A 102 ? 0.08571361 0.22464937 0.23822522 -0.00986316 0.00813066  -0.01082762 214 ASN   A HB3  
1692 H  HD21 . ASN   A 102 ? 0.09863260 0.21716742 0.25123224 0.00294841  0.02062659  -0.01614156 214 ASN   A HD21 
1693 H  HD22 . ASN   A 102 ? 0.09951648 0.21777217 0.25228119 0.00325381  0.01987044  -0.01669747 214 ASN   A HD22 
1694 N  N    . ASP   A 103 ? 0.14546540 0.23234004 0.24621344 -0.00728744 -0.00889716 0.00898758  215 ASP   A N    
1695 C  CA   . ASP   A 103 ? 0.18429892 0.24486360 0.26645455 -0.02917571 -0.00227796 0.01013594  215 ASP   A CA   
1696 C  C    . ASP   A 103 ? 0.19517535 0.25829193 0.28202200 -0.01607234 0.00474526  0.01018830  215 ASP   A C    
1697 O  O    . ASP   A 103 ? 0.22400650 0.28280976 0.30417183 -0.01214149 0.01872326  0.03159906  215 ASP   A O    
1698 C  CB   . ASP   A 103 ? 0.19433826 0.26722568 0.28143889 -0.02686375 -0.00693104 0.01774018  215 ASP   A CB   
1699 C  CG   . ASP   A 103 ? 0.21081722 0.31049040 0.32084456 -0.01376924 -0.00522726 0.01810576  215 ASP   A CG   
1700 O  OD1  . ASP   A 103 ? 0.22698051 0.34529471 0.34156391 -0.00604708 -0.01119296 0.01242635  215 ASP   A OD1  
1701 O  OD2  . ASP   A 103 ? 0.23956156 0.38306773 0.41315490 -0.02573943 -0.04116627 -0.00079183 215 ASP   A OD2  
1702 H  H    . ASP   A 103 ? 0.14192829 0.23382789 0.24746715 -0.01123454 -0.00585265 0.00624678  215 ASP   A H    
1703 H  HA   . ASP   A 103 ? 0.17927353 0.24784392 0.26694107 -0.02154156 -0.00323000 0.01071113  215 ASP   A HA   
1704 H  HB2  . ASP   A 103 ? 0.19412142 0.26882732 0.28442222 -0.02473420 -0.00529880 0.01565562  215 ASP   A HB2  
1705 H  HB3  . ASP   A 103 ? 0.19436680 0.26783282 0.28420919 -0.02537557 -0.00463385 0.01694642  215 ASP   A HB3  
1706 N  N    . ALA   A 104 ? 0.13738246 0.26865581 0.26184690 -0.01052165 0.02715679  0.01246251  216 ALA   A N    
1707 C  CA   . ALA   A 104 ? 0.12742350 0.27599603 0.26238000 -0.02077098 0.02020151  0.01611713  216 ALA   A CA   
1708 C  C    . ALA   A 104 ? 0.11855832 0.27716351 0.25185549 -0.01344623 0.03557209  0.00597113  216 ALA   A C    
1709 O  O    . ALA   A 104 ? 0.10949002 0.26718271 0.24278265 -0.03185356 0.01992625  0.00330279  216 ALA   A O    
1710 C  CB   . ALA   A 104 ? 0.12934126 0.30951917 0.27984512 -0.02610331 0.01879231  -0.00052447 216 ALA   A CB   
1711 H  H    . ALA   A 104 ? 0.14650407 0.26587707 0.26461634 -0.01476692 0.02081830  0.01371208  216 ALA   A H    
1712 H  HA   . ALA   A 104 ? 0.12849638 0.27844477 0.26166460 -0.01907865 0.02485457  0.01262853  216 ALA   A HA   
1713 H  HB1  . ALA   A 104 ? 0.12968969 0.29983538 0.27610689 -0.02393552 0.01951142  0.00430022  216 ALA   A HB1  
1714 H  HB2  . ALA   A 104 ? 0.13179073 0.30241773 0.27833945 -0.02275180 0.01863200  0.00227502  216 ALA   A HB2  
1715 H  HB3  . ALA   A 104 ? 0.12960410 0.29982123 0.27547133 -0.02399490 0.01918806  0.00418507  216 ALA   A HB3  
1716 N  N    . HIS   A 105 ? 0.13967934 0.27590588 0.24977499 -0.02528603 0.02183024  0.01264596  217 HIS   A N    
1717 C  CA   . HIS   A 105 ? 0.12373099 0.27726373 0.25829241 -0.02745112 0.01675820  0.00821134  217 HIS   A CA   
1718 C  C    . HIS   A 105 ? 0.12463143 0.27070564 0.25530767 -0.00842236 0.02985642  -0.00695942 217 HIS   A C    
1719 O  O    . HIS   A 105 ? 0.15063164 0.30205426 0.24761346 0.01149465  0.03501979  -0.01653777 217 HIS   A O    
1720 C  CB   . HIS   A 105 ? 0.14977221 0.30030298 0.27407590 -0.05205782 0.00754738  0.00405787  217 HIS   A CB   
1721 C  CG   . HIS   A 105 ? 0.16289608 0.35019001 0.28057748 -0.05853322 0.00412857  -0.01136130 217 HIS   A CG   
1722 N  ND1  . HIS   A 105 ? 0.18735503 0.40021673 0.32263070 -0.04053481 -0.00003932 -0.04191456 217 HIS   A ND1  
1723 C  CD2  . HIS   A 105 ? 0.15199335 0.38180107 0.30450177 -0.07324352 0.02683790  -0.00869025 217 HIS   A CD2  
1724 C  CE1  . HIS   A 105 ? 0.19427183 0.41461322 0.30875075 -0.03566211 -0.00476137 -0.05221748 217 HIS   A CE1  
1725 N  NE2  . HIS   A 105 ? 0.15410210 0.39859891 0.29441628 -0.06886673 0.03552722  -0.02856477 217 HIS   A NE2  
1726 H  H    . HIS   A 105 ? 0.13097662 0.27619478 0.25097546 -0.02323806 0.02431681  0.01095476  217 HIS   A H    
1727 H  HA   . HIS   A 105 ? 0.13118184 0.27948505 0.25876331 -0.02713033 0.01882188  0.00537135  217 HIS   A HA   
1728 H  HB2  . HIS   A 105 ? 0.14628537 0.30490571 0.27195400 -0.04730363 0.00880382  0.00211796  217 HIS   A HB2  
1729 H  HB3  . HIS   A 105 ? 0.14715296 0.30548123 0.27358365 -0.04794444 0.00769696  0.00277203  217 HIS   A HB3  
1730 H  HD1  . HIS   A 105 ? 0.32410112 0.32410112 0.32410112 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1731 H  HD2  . HIS   A 105 ? 0.15698630 0.37902385 0.29769012 -0.06969982 0.02168342  -0.01248576 217 HIS   A HD2  
1732 H  HE1  . HIS   A 105 ? 0.18342662 0.40411818 0.30567962 -0.04490729 0.00648308  -0.04415881 217 HIS   A HE1  
1733 H  HE2  . HIS   A 105 ? 0.29193163 0.29193163 0.29193163 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1734 N  N    . LEU   A 106 ? 0.10949522 0.26270545 0.24730778 0.00072709  0.03185127  -0.01009940 218 LEU   A N    
1735 C  CA   . LEU   A 106 ? 0.10785937 0.26037270 0.25693160 0.01126928  0.02394057  -0.01080456 218 LEU   A CA   
1736 C  C    . LEU   A 106 ? 0.09918936 0.26374358 0.26278943 0.01064389  0.02088241  -0.00604790 218 LEU   A C    
1737 O  O    . LEU   A 106 ? 0.08500236 0.30484501 0.27494434 0.01164764  0.01110303  -0.01892990 218 LEU   A O    
1738 C  CB   . LEU   A 106 ? 0.13539283 0.25841159 0.26078454 0.01481141  0.02479337  -0.00322701 218 LEU   A CB   
1739 C  CG   . LEU   A 106 ? 0.10758103 0.25975019 0.28824079 0.03635610  0.01396641  -0.00489858 218 LEU   A CG   
1740 C  CD1  . LEU   A 106 ? 0.12630792 0.28963143 0.30010331 0.02747398  0.02124062  -0.00793903 218 LEU   A CD1  
1741 C  CD2  . LEU   A 106 ? 0.13224679 0.26385316 0.28619236 0.02407079  0.00845240  0.00033110  218 LEU   A CD2  
1742 H  H    . LEU   A 106 ? 0.11183188 0.26291275 0.25050485 0.00158636  0.03006731  -0.01046151 218 LEU   A H    
1743 H  HA   . LEU   A 106 ? 0.11126653 0.26128119 0.25627571 0.01014703  0.02546936  -0.00926565 218 LEU   A HA   
1744 H  HB2  . LEU   A 106 ? 0.12444273 0.25950786 0.26730889 0.01939975  0.02382197  -0.00470415 218 LEU   A HB2  
1745 H  HB3  . LEU   A 106 ? 0.12279352 0.25957978 0.26636201 0.01858349  0.02228849  -0.00484226 218 LEU   A HB3  
1746 H  HG   . LEU   A 106 ? 0.11904452 0.26504517 0.28324780 0.02790532  0.01503108  -0.00458463 218 LEU   A HG   
1747 H  HD11 . LEU   A 106 ? 0.12204006 0.28090495 0.29681772 0.03057280  0.01877182  -0.00775202 218 LEU   A HD11 
1748 H  HD12 . LEU   A 106 ? 0.12154857 0.28370622 0.29792464 0.02932218  0.01984021  -0.00912767 218 LEU   A HD12 
1749 H  HD13 . LEU   A 106 ? 0.12227052 0.28104326 0.29810619 0.03070408  0.02053203  -0.00697993 218 LEU   A HD13 
1750 H  HD21 . LEU   A 106 ? 0.12517329 0.26388586 0.28809300 0.02729598  0.00977177  -0.00015499 218 LEU   A HD21 
1751 H  HD22 . LEU   A 106 ? 0.12544663 0.26307625 0.28751618 0.02780939  0.01051520  -0.00090679 218 LEU   A HD22 
1752 H  HD23 . LEU   A 106 ? 0.12506001 0.26347205 0.28736818 0.02751919  0.01024799  -0.00125632 218 LEU   A HD23 
1753 N  N    . LEU   A 107 ? 0.05664232 0.27314529 0.26425493 0.01383573  0.01347705  -0.01025657 219 LEU   A N    
1754 C  CA   . LEU   A 107 ? 0.05750629 0.27863437 0.27288762 0.00894447  0.00548845  -0.00505494 219 LEU   A CA   
1755 C  C    . LEU   A 107 ? 0.06492253 0.26675531 0.26217508 0.00269740  0.01151426  -0.00313910 219 LEU   A C    
1756 O  O    . LEU   A 107 ? 0.06321878 0.26911160 0.25184888 0.01238376  0.01015782  -0.00857583 219 LEU   A O    
1757 C  CB   . LEU   A 107 ? 0.06148414 0.29030639 0.27993038 -0.00009070 0.00328762  0.00471346  219 LEU   A CB   
1758 C  CG   . LEU   A 107 ? 0.05970785 0.29556346 0.27769902 0.00052222  -0.00219722 0.01381289  219 LEU   A CG   
1759 C  CD1  . LEU   A 107 ? 0.07952908 0.29704815 0.28587246 0.00651135  0.01198265  0.01671395  219 LEU   A CD1  
1760 C  CD2  . LEU   A 107 ? 0.09666718 0.30567113 0.27811447 -0.00413868 0.00998118  0.01324766  219 LEU   A CD2  
1761 H  H    . LEU   A 107 ? 0.06016281 0.27040517 0.26550609 0.01523675  0.01447300  -0.00850137 219 LEU   A H    
1762 H  HA   . LEU   A 107 ? 0.06077603 0.27732512 0.27055490 0.00729193  0.00740521  -0.00417867 219 LEU   A HA   
1763 H  HB2  . LEU   A 107 ? 0.06101580 0.28898975 0.27819729 0.00230530  0.00308114  0.00479297  219 LEU   A HB2  
1764 H  HB3  . LEU   A 107 ? 0.06099455 0.28962466 0.27808374 0.00199929  0.00271407  0.00495616  219 LEU   A HB3  
1765 H  HG   . LEU   A 107 ? 0.06251772 0.29633781 0.27653491 0.00168602  -0.00087919 0.01303764  219 LEU   A HG   
1766 H  HD11 . LEU   A 107 ? 0.07428207 0.29632205 0.28338110 0.00474146  0.00836615  0.01548219  219 LEU   A HD11 
1767 H  HD12 . LEU   A 107 ? 0.07475406 0.29660639 0.28386596 0.00485690  0.00805405  0.01561823  219 LEU   A HD12 
1768 H  HD13 . LEU   A 107 ? 0.07822876 0.29651880 0.28507066 0.00465232  0.01070388  0.01563846  219 LEU   A HD13 
1769 H  HD21 . LEU   A 107 ? 0.08645846 0.30243164 0.27899617 -0.00276994 0.00688045  0.01337671  219 LEU   A HD21 
1770 H  HD22 . LEU   A 107 ? 0.09157724 0.30253506 0.28056997 -0.00369988 0.00991211  0.01271435  219 LEU   A HD22 
1771 H  HD23 . LEU   A 107 ? 0.08778773 0.30187172 0.27918163 -0.00249442 0.00598583  0.01292886  219 LEU   A HD23 
1772 N  N    . GLN   A 108 ? 0.07515446 0.27515954 0.26119003 0.00413450  0.00887320  -0.00643144 220 GLN   A N    
1773 C  CA   . GLN   A 108 ? 0.13185072 0.29090947 0.25471172 -0.00648615 -0.00203393 -0.00834385 220 GLN   A CA   
1774 C  C    . GLN   A 108 ? 0.12509623 0.25701350 0.25471777 -0.00163331 -0.01075624 -0.00762895 220 GLN   A C    
1775 O  O    . GLN   A 108 ? 0.14933115 0.30138421 0.25880590 0.03291900  -0.00077184 -0.01782571 220 GLN   A O    
1776 C  CB   . GLN   A 108 ? 0.22872101 0.30652708 0.27486041 -0.02291532 0.00560848  -0.00431624 220 GLN   A CB   
1777 C  CG   . GLN   A 108 ? 0.30259788 0.36644632 0.30886814 -0.02603031 -0.00815833 0.00664359  220 GLN   A CG   
1778 C  CD   . GLN   A 108 ? 0.39082831 0.39593017 0.34301177 -0.04293448 -0.00161089 0.02138346  220 GLN   A CD   
1779 O  OE1  . GLN   A 108 ? 0.52798945 0.48269862 0.36539915 0.01416303  0.00579900  0.04563073  220 GLN   A OE1  
1780 N  NE2  . GLN   A 108 ? 0.39085346 0.42131615 0.39956123 -0.09915629 0.00361180  0.01665175  220 GLN   A NE2  
1781 H  H    . GLN   A 108 ? 0.07711041 0.27520448 0.26000032 0.00440134  0.00873068  -0.00655295 220 GLN   A H    
1782 H  HA   . GLN   A 108 ? 0.13210057 0.28200576 0.25897074 -0.00613747 -0.00024462 -0.00712044 220 GLN   A HA   
1783 H  HB2  . GLN   A 108 ? 0.22168517 0.31329957 0.27554780 -0.02217558 0.00024283  -0.00330327 220 GLN   A HB2  
1784 H  HB3  . GLN   A 108 ? 0.21555869 0.31167796 0.27444711 -0.02024727 0.00087235  -0.00454851 220 GLN   A HB3  
1785 H  HG2  . GLN   A 108 ? 0.29903650 0.35455269 0.30512986 -0.02965288 -0.00357983 0.00701565  220 GLN   A HG2  
1786 H  HG3  . GLN   A 108 ? 0.29362044 0.35610253 0.30681846 -0.02885184 -0.00333089 0.00864989  220 GLN   A HG3  
1787 H  HE21 . GLN   A 108 ? 0.38268763 0.41041464 0.38813716 -0.07977907 0.00524224  0.01181532  220 GLN   A HE21 
1788 H  HE22 . GLN   A 108 ? 0.38761985 0.40883994 0.38260677 -0.08281428 0.00410039  0.01872447  220 GLN   A HE22 
1789 N  N    . TYR   A 109 ? 0.09292081 0.23436618 0.24215989 -0.01893984 -0.01038281 -0.00287904 221 TYR   A N    
1790 C  CA   . TYR   A 109 ? 0.07655521 0.22430973 0.24087130 -0.01656860 0.00301225  -0.00276749 221 TYR   A CA   
1791 C  C    . TYR   A 109 ? 0.10090569 0.22405192 0.24121283 -0.02611064 -0.00807450 -0.00540655 221 TYR   A C    
1792 O  O    . TYR   A 109 ? 0.11753488 0.21806642 0.26219955 -0.02294854 0.00746539  -0.00684416 221 TYR   A O    
1793 C  CB   . TYR   A 109 ? 0.06537060 0.22073781 0.23447779 -0.02392985 -0.00113556 -0.01219625 221 TYR   A CB   
1794 C  CG   . TYR   A 109 ? 0.08064946 0.21100652 0.24096386 -0.01755871 0.01107760  -0.00385295 221 TYR   A CG   
1795 C  CD1  . TYR   A 109 ? 0.08598524 0.21504377 0.24112056 -0.01516867 -0.00021441 -0.01404712 221 TYR   A CD1  
1796 C  CD2  . TYR   A 109 ? 0.10598102 0.22263010 0.23932460 -0.02183971 0.01097413  0.00225380  221 TYR   A CD2  
1797 C  CE1  . TYR   A 109 ? 0.09089027 0.21617019 0.24348956 -0.02421951 -0.00740173 -0.00681009 221 TYR   A CE1  
1798 C  CE2  . TYR   A 109 ? 0.09765849 0.23672615 0.24962503 -0.01960987 0.00465048  -0.00004602 221 TYR   A CE2  
1799 C  CZ   . TYR   A 109 ? 0.06305351 0.23570710 0.24687943 -0.02512870 0.00456906  -0.00521658 221 TYR   A CZ   
1800 O  OH   . TYR   A 109 ? 0.09456380 0.24038693 0.25862694 -0.04128601 0.00583445  0.01088755  221 TYR   A OH   
1801 H  H    . TYR   A 109 ? 0.09606745 0.23721212 0.24448526 -0.01480861 -0.00710792 -0.00398453 221 TYR   A H    
1802 H  HA   . TYR   A 109 ? 0.07821125 0.22470316 0.24007767 -0.01752341 -0.00227905 -0.00509423 221 TYR   A HA   
1803 H  HB2  . TYR   A 109 ? 0.07090820 0.21759720 0.23602831 -0.02124138 0.00219720  -0.00967418 221 TYR   A HB2  
1804 H  HB3  . TYR   A 109 ? 0.07093495 0.21890292 0.23712523 -0.02069035 0.00250732  -0.00849582 221 TYR   A HB3  
1805 H  HD1  . TYR   A 109 ? 0.08568101 0.21430351 0.24023911 -0.01773797 0.00134034  -0.01059394 221 TYR   A HD1  
1806 H  HD2  . TYR   A 109 ? 0.09764328 0.22422419 0.24209212 -0.02115632 0.00938213  0.00000101  221 TYR   A HD2  
1807 H  HE1  . TYR   A 109 ? 0.08360804 0.22050989 0.24379103 -0.02232080 -0.00263165 -0.00790393 221 TYR   A HE1  
1808 H  HE2  . TYR   A 109 ? 0.09088709 0.23332275 0.24808374 -0.02184353 0.00548412  0.00003476  221 TYR   A HE2  
1809 H  HH   . TYR   A 109 ? 0.20316163 0.20316163 0.20316163 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1810 N  N    . ASN   A 110 ? 0.10847875 0.24638875 0.24408884 -0.03248178 -0.00824895 -0.00238939 222 ASN   A N    
1811 C  CA   . ASN   A 110 ? 0.11740164 0.25884217 0.25017491 -0.02850408 -0.02026168 -0.00231833 222 ASN   A CA   
1812 C  C    . ASN   A 110 ? 0.10080728 0.22368506 0.25315315 -0.03545195 -0.01101307 -0.00243688 222 ASN   A C    
1813 O  O    . ASN   A 110 ? 0.14477192 0.22757848 0.25388369 -0.02969995 -0.00164216 -0.00027849 222 ASN   A O    
1814 C  CB   . ASN   A 110 ? 0.12061746 0.29419962 0.27987173 -0.04050072 -0.03377060 0.00495432  222 ASN   A CB   
1815 C  CG   . ASN   A 110 ? 0.15226270 0.35947457 0.33088523 -0.04712646 -0.01636114 0.02305318  222 ASN   A CG   
1816 O  OD1  . ASN   A 110 ? 0.19457914 0.45644569 0.44693434 -0.00843921 0.03127987  0.00939360  222 ASN   A OD1  
1817 N  ND2  . ASN   A 110 ? 0.08782203 0.37560493 0.32741904 -0.05240630 -0.00485150 0.02823438  222 ASN   A ND2  
1818 H  H    . ASN   A 110 ? 0.10917178 0.24446578 0.24524440 -0.03077155 -0.01108960 -0.00274508 222 ASN   A H    
1819 H  HA   . ASN   A 110 ? 0.11268660 0.25474724 0.25502089 -0.03286131 -0.01765963 -0.00071210 222 ASN   A HA   
1820 H  HB2  . ASN   A 110 ? 0.12473775 0.29434443 0.27966917 -0.03847144 -0.02681552 0.00649449  222 ASN   A HB2  
1821 H  HB3  . ASN   A 110 ? 0.12481235 0.29407611 0.27958164 -0.03874156 -0.02670760 0.00543264  222 ASN   A HB3  
1822 H  HD21 . ASN   A 110 ? 0.10424300 0.36483943 0.32554331 -0.04842360 -0.00759583 0.02556121  222 ASN   A HD21 
1823 H  HD22 . ASN   A 110 ? 0.10569181 0.36967096 0.32648009 -0.05005760 -0.00725419 0.02639296  222 ASN   A HD22 
1824 N  N    . HIS   A 111 ? 0.10300510 0.20944297 0.23868328 -0.03769878 -0.01359297 -0.00179940 223 HIS   A N    
1825 C  CA   . HIS   A 111 ? 0.07810491 0.22292171 0.24950503 -0.04114614 -0.00261182 0.00503672  223 HIS   A CA   
1826 C  C    . HIS   A 111 ? 0.11442184 0.22966376 0.25778788 -0.05157933 -0.01953756 0.00260784  223 HIS   A C    
1827 O  O    . HIS   A 111 ? 0.14363104 0.25050223 0.28956056 -0.08668719 -0.02250699 0.02353616  223 HIS   A O    
1828 C  CB   . HIS   A 111 ? 0.09612221 0.21203727 0.23972493 -0.04230354 -0.00534850 0.00914597  223 HIS   A CB   
1829 C  CG   . HIS   A 111 ? 0.09109276 0.21489513 0.24199741 -0.03240110 0.00396167  0.00834541  223 HIS   A CG   
1830 N  ND1  . HIS   A 111 ? 0.09886989 0.20631203 0.24890845 -0.02665068 0.00263538  0.00361356  223 HIS   A ND1  
1831 C  CD2  . HIS   A 111 ? 0.09687685 0.21291490 0.24339233 -0.04052258 0.01405796  0.00794556  223 HIS   A CD2  
1832 C  CE1  . HIS   A 111 ? 0.10511938 0.20637240 0.25151250 -0.01839154 -0.00551769 0.00944864  223 HIS   A CE1  
1833 N  NE2  . HIS   A 111 ? 0.10328385 0.21438250 0.24358843 -0.02108522 0.00641907  0.00543645  223 HIS   A NE2  
1834 H  H    . HIS   A 111 ? 0.09718541 0.21459547 0.24360445 -0.03799637 -0.01035940 0.00087670  223 HIS   A H    
1835 H  HA   . HIS   A 111 ? 0.09094279 0.21736373 0.24725729 -0.04430675 -0.00800784 0.00407620  223 HIS   A HA   
1836 H  HB2  . HIS   A 111 ? 0.09052193 0.21463497 0.24249600 -0.04025948 -0.00247709 0.00811586  223 HIS   A HB2  
1837 H  HB3  . HIS   A 111 ? 0.09145658 0.21526217 0.24273455 -0.03979894 -0.00262089 0.00793624  223 HIS   A HB3  
1838 H  HD1  . HIS   A 111 ? 0.18683624 0.18683624 0.18683624 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1839 H  HD2  . HIS   A 111 ? 0.09563950 0.21020675 0.24319153 -0.03656878 0.01004441  0.00767501  223 HIS   A HD2  
1840 H  HE1  . HIS   A 111 ? 0.10371353 0.20843895 0.24910592 -0.02085177 -0.00043840 0.00731495  223 HIS   A HE1  
1841 H  HE2  . HIS   A 111 ? 0.18710221 0.18710221 0.18710221 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1842 N  N    . ARG   A 112 ? 0.09585102 0.21144895 0.26535001 -0.04344234 -0.01375357 -0.00595883 224 ARG   A N    
1843 C  CA   . ARG   A 112 ? 0.10306026 0.23334675 0.26633188 -0.03332083 -0.01737165 -0.00826276 224 ARG   A CA   
1844 C  C    . ARG   A 112 ? 0.12431020 0.22303042 0.27003619 -0.03137990 -0.01671764 -0.00948117 224 ARG   A C    
1845 O  O    . ARG   A 112 ? 0.14787760 0.22925401 0.27968365 -0.01837223 -0.02559862 -0.02830199 224 ARG   A O    
1846 C  CB   . ARG   A 112 ? 0.06098577 0.23570023 0.26564896 -0.02888081 -0.01457253 0.00035270  224 ARG   A CB   
1847 C  CG   . ARG   A 112 ? 0.08518299 0.24455142 0.27077112 -0.01589263 -0.00885713 -0.00322719 224 ARG   A CG   
1848 C  CD   . ARG   A 112 ? 0.07987616 0.23377727 0.26338729 -0.00538353 -0.00790496 -0.00999860 224 ARG   A CD   
1849 N  NE   . ARG   A 112 ? 0.09214229 0.23184086 0.26360345 0.00439766  -0.00672930 -0.00100018 224 ARG   A NE   
1850 C  CZ   . ARG   A 112 ? 0.09011740 0.23563792 0.26751032 0.00951066  -0.00619831 -0.00610178 224 ARG   A CZ   
1851 N  NH1  . ARG   A 112 ? 0.08512273 0.22495028 0.28638265 0.00033779  -0.00937454 -0.00092269 224 ARG   A NH1  
1852 N  NH2  . ARG   A 112 ? 0.13489480 0.22680368 0.26318437 0.00409540  0.01215570  0.00229329  224 ARG   A NH2  
1853 H  H    . ARG   A 112 ? 0.09855033 0.21802780 0.26323408 -0.04547602 -0.01669077 -0.00530537 224 ARG   A H    
1854 H  HA   . ARG   A 112 ? 0.10205868 0.22848220 0.26674947 -0.03247990 -0.01635328 -0.00629955 224 ARG   A HA   
1855 H  HB2  . ARG   A 112 ? 0.06503694 0.23496258 0.26647648 -0.03145857 -0.01353637 -0.00201244 224 ARG   A HB2  
1856 H  HB3  . ARG   A 112 ? 0.07273977 0.23656121 0.26495674 -0.02768309 -0.01476820 -0.00188244 224 ARG   A HB3  
1857 H  HG2  . ARG   A 112 ? 0.08211718 0.24104609 0.26822770 -0.01432026 -0.01035338 -0.00430823 224 ARG   A HG2  
1858 H  HG3  . ARG   A 112 ? 0.07952553 0.23993592 0.26968810 -0.01629890 -0.00895378 -0.00416200 224 ARG   A HG3  
1859 H  HD2  . ARG   A 112 ? 0.08250440 0.23535137 0.26479417 -0.00594397 -0.00751087 -0.00600119 224 ARG   A HD2  
1860 H  HD3  . ARG   A 112 ? 0.08288791 0.23561165 0.26429999 -0.00540944 -0.00853437 -0.00622248 224 ARG   A HD3  
1861 H  HE   . ARG   A 112 ? 0.08910499 0.23279178 0.26347691 0.00301597  -0.00631181 -0.00356313 224 ARG   A HE   
1862 H  HH11 . ARG   A 112 ? 0.08707420 0.22599199 0.28074169 0.00273572  -0.00815712 -0.00236412 224 ARG   A HH11 
1863 H  HH12 . ARG   A 112 ? 0.08673263 0.22839838 0.28211641 0.00293754  -0.00826486 -0.00156962 224 ARG   A HH12 
1864 H  HH21 . ARG   A 112 ? 0.11912820 0.22813620 0.26447976 0.00565255  0.00621749  -0.00011644 224 ARG   A HH21 
1865 H  HH22 . ARG   A 112 ? 0.11900597 0.22886281 0.26254758 0.00524490  0.00682229  0.00100541  224 ARG   A HH22 
1866 N  N    . VAL   A 113 ? 0.12191783 0.22493641 0.27128032 -0.04231536 -0.00312856 -0.00504681 225 VAL   A N    
1867 C  CA   . VAL   A 113 ? 0.11125828 0.23359345 0.26776984 -0.03799152 -0.00476275 -0.00800439 225 VAL   A CA   
1868 C  C    . VAL   A 113 ? 0.11988468 0.23871362 0.28053597 -0.04379328 0.00606301  -0.01442982 225 VAL   A C    
1869 O  O    . VAL   A 113 ? 0.19312730 0.24602874 0.27072603 -0.01828168 0.00384404  -0.02087174 225 VAL   A O    
1870 C  CB   . VAL   A 113 ? 0.12168471 0.24785426 0.26945427 -0.03779592 0.01309916  -0.00271402 225 VAL   A CB   
1871 C  CG1  . VAL   A 113 ? 0.12340628 0.25211927 0.27188706 -0.02013214 -0.00178413 -0.00128131 225 VAL   A CG1  
1872 C  CG2  . VAL   A 113 ? 0.13353910 0.24630034 0.29449153 -0.03770404 0.02240904  -0.00585217 225 VAL   A CG2  
1873 H  H    . VAL   A 113 ? 0.11893994 0.22703345 0.27031338 -0.03841618 -0.00664675 -0.00631483 225 VAL   A H    
1874 H  HA   . VAL   A 113 ? 0.11644466 0.23510715 0.26798898 -0.03992923 -0.00090741 -0.00831252 225 VAL   A HA   
1875 H  HB   . VAL   A 113 ? 0.12173308 0.24536283 0.27357376 -0.03453338 0.00842785  -0.00402431 225 VAL   A HB   
1876 H  HG11 . VAL   A 113 ? 0.12358215 0.25091362 0.27070218 -0.02490395 0.00229863  -0.00182913 225 VAL   A HG11 
1877 H  HG12 . VAL   A 113 ? 0.12356722 0.25021824 0.27077252 -0.02473650 0.00232005  -0.00133463 225 VAL   A HG12 
1878 H  HG13 . VAL   A 113 ? 0.12622234 0.25206861 0.27116570 -0.02317746 0.00198991  -0.00206866 225 VAL   A HG13 
1879 H  HG21 . VAL   A 113 ? 0.13079946 0.24707446 0.28690004 -0.03647553 0.01936891  -0.00466384 225 VAL   A HG21 
1880 H  HG22 . VAL   A 113 ? 0.13034949 0.24700695 0.28736198 -0.03754361 0.01954653  -0.00447523 225 VAL   A HG22 
1881 H  HG23 . VAL   A 113 ? 0.13082643 0.24705586 0.28993207 -0.03711826 0.02108057  -0.00411502 225 VAL   A HG23 
1882 N  N    . LYS   A 114 ? 0.15070558 0.23838106 0.28800762 -0.04417733 0.02245328  -0.02181105 226 LYS   A N    
1883 C  CA   . LYS   A 114 ? 0.14865881 0.24774446 0.31437951 -0.03795545 0.02310037  -0.01567128 226 LYS   A CA   
1884 C  C    . LYS   A 114 ? 0.14046246 0.24246621 0.32828176 -0.05125222 0.03666244  0.00469881  226 LYS   A C    
1885 O  O    . LYS   A 114 ? 0.18169382 0.24959889 0.37822911 -0.04070137 0.05973311  0.02486259  226 LYS   A O    
1886 C  CB   . LYS   A 114 ? 0.13017045 0.26831526 0.34151128 -0.05126005 0.03082931  -0.01997551 226 LYS   A CB   
1887 C  CG   . LYS   A 114 ? 0.14989395 0.29716542 0.35760298 -0.04063154 0.00744586  -0.02872325 226 LYS   A CG   
1888 C  CD   . LYS   A 114 ? 0.17418337 0.30371410 0.34180427 -0.04089092 -0.00694061 -0.01359245 226 LYS   A CD   
1889 C  CE   . LYS   A 114 ? 0.14378358 0.31009895 0.32678899 -0.06317487 -0.01261418 -0.00977609 226 LYS   A CE   
1890 N  NZ   . LYS   A 114 ? 0.15097314 0.35872799 0.32089642 -0.07794327 -0.03065178 0.00713040  226 LYS   A NZ   
1891 H  H    . LYS   A 114 ? 0.14165041 0.24047023 0.29171160 -0.04280785 0.01838067  -0.01834472 226 LYS   A H    
1892 H  HA   . LYS   A 114 ? 0.14480472 0.24852744 0.31559998 -0.04375016 0.02641368  -0.01392755 226 LYS   A HA   
1893 H  HB2  . LYS   A 114 ? 0.13882312 0.26906615 0.33784723 -0.04574286 0.02432143  -0.02055037 226 LYS   A HB2  
1894 H  HB3  . LYS   A 114 ? 0.13887686 0.26854032 0.33805639 -0.04578380 0.02419138  -0.02028883 226 LYS   A HB3  
1895 H  HG2  . LYS   A 114 ? 0.15057343 0.29466909 0.35264269 -0.04303918 0.01001019  -0.02569648 226 LYS   A HG2  
1896 H  HG3  . LYS   A 114 ? 0.15098551 0.29281884 0.35082445 -0.04261680 0.01021089  -0.02331493 226 LYS   A HG3  
1897 H  HD2  . LYS   A 114 ? 0.16136007 0.30403253 0.34073183 -0.04564575 -0.00501636 -0.01490611 226 LYS   A HD2  
1898 H  HD3  . LYS   A 114 ? 0.16292953 0.30728513 0.34166947 -0.04339673 -0.00396950 -0.01456357 226 LYS   A HD3  
1899 H  HE2  . LYS   A 114 ? 0.15155353 0.31814528 0.32812616 -0.06183078 -0.01559789 -0.00642246 226 LYS   A HE2  
1900 H  HE3  . LYS   A 114 ? 0.14964671 0.31522110 0.32793009 -0.06444019 -0.01659161 -0.00842121 226 LYS   A HE3  
1901 H  HZ1  . LYS   A 114 ? 0.15093985 0.34537873 0.32371852 -0.07124275 -0.02369642 0.00257134  226 LYS   A HZ1  
1902 H  HZ2  . LYS   A 114 ? 0.15010756 0.34401667 0.32393175 -0.07246193 -0.02406631 0.00118277  226 LYS   A HZ2  
1903 H  HZ3  . LYS   A 114 ? 0.15241602 0.34391770 0.32332978 -0.07336975 -0.02419831 0.00183110  226 LYS   A HZ3  
1904 N  N    . LYS   A 115 ? 0.14960688 0.24031241 0.31497774 -0.05929140 0.03100235  0.00219356  227 LYS   A N    
1905 C  CA   . LYS   A 115 ? 0.16335648 0.26223248 0.32315865 -0.05081915 0.03112684  -0.00534612 227 LYS   A CA   
1906 C  C    . LYS   A 115 ? 0.15610497 0.22290893 0.30327415 -0.05098360 0.04588722  -0.01773033 227 LYS   A C    
1907 O  O    . LYS   A 115 ? 0.17028661 0.22290462 0.30109000 -0.03910013 0.07143553  -0.00243093 227 LYS   A O    
1908 C  CB   . LYS   A 115 ? 0.19458626 0.31585449 0.32947940 -0.06248569 0.01111514  -0.01235127 227 LYS   A CB   
1909 C  CG   . LYS   A 115 ? 0.23411113 0.37804824 0.35851470 -0.08807551 -0.00624879 -0.01637950 227 LYS   A CG   
1910 C  CD   . LYS   A 115 ? 0.25673926 0.43984333 0.37606370 -0.10472964 0.00263995  -0.01132307 227 LYS   A CD   
1911 C  CE   . LYS   A 115 ? 0.28759313 0.46461359 0.40838370 -0.13032645 0.00075552  -0.01166315 227 LYS   A CE   
1912 N  NZ   . LYS   A 115 ? 0.32683453 0.49713188 0.44479197 -0.12963900 0.00984081  0.01281341  227 LYS   A NZ   
1913 H  H    . LYS   A 115 ? 0.15062623 0.24440275 0.31873989 -0.05474209 0.03156992  0.00171929  227 LYS   A H    
1914 H  HA   . LYS   A 115 ? 0.16434975 0.26069802 0.31887200 -0.05425091 0.03083454  -0.00758722 227 LYS   A HA   
1915 H  HB2  . LYS   A 115 ? 0.19396888 0.31451607 0.33351594 -0.06446616 0.01315521  -0.01135072 227 LYS   A HB2  
1916 H  HB3  . LYS   A 115 ? 0.19419514 0.31361961 0.33342105 -0.06442734 0.01345490  -0.01125070 227 LYS   A HB3  
1917 H  HG2  . LYS   A 115 ? 0.22817692 0.37521937 0.35436344 -0.08434864 0.00063810  -0.01508566 227 LYS   A HG2  
1918 H  HG3  . LYS   A 115 ? 0.23203850 0.37413073 0.35417321 -0.08625226 0.00034120  -0.01422660 227 LYS   A HG3  
1919 H  HD2  . LYS   A 115 ? 0.25808001 0.43170211 0.37867361 -0.10597479 0.00043183  -0.01385882 227 LYS   A HD2  
1920 H  HD3  . LYS   A 115 ? 0.25709191 0.42745537 0.37754565 -0.10526880 0.00054130  -0.01303026 227 LYS   A HD3  
1921 H  HE2  . LYS   A 115 ? 0.28797927 0.46644932 0.40727732 -0.12454204 0.00321729  -0.00633939 227 LYS   A HE2  
1922 H  HE3  . LYS   A 115 ? 0.28811949 0.46435732 0.40708664 -0.12352983 0.00278810  -0.00634651 227 LYS   A HE3  
1923 H  HZ1  . LYS   A 115 ? 0.32022277 0.48781466 0.43366304 -0.12828481 0.00503940  0.00543452  227 LYS   A HZ1  
1924 H  HZ2  . LYS   A 115 ? 0.31600332 0.49036476 0.43274039 -0.13046812 0.00718577  0.00542703  227 LYS   A HZ2  
1925 H  HZ3  . LYS   A 115 ? 0.31773254 0.49256963 0.43577859 -0.12572008 0.00961393  0.00935941  227 LYS   A HZ3  
1926 N  N    . LEU   A 116 ? 0.15176263 0.21036024 0.29648498 -0.04369518 0.05303338  -0.01859935 228 LEU   A N    
1927 C  CA   . LEU   A 116 ? 0.14061794 0.19283812 0.28471598 -0.00966967 0.04323002  -0.02192797 228 LEU   A CA   
1928 C  C    . LEU   A 116 ? 0.14513515 0.20036477 0.29651579 -0.00125366 0.05057729  -0.00855863 228 LEU   A C    
1929 O  O    . LEU   A 116 ? 0.13228092 0.21541756 0.30213678 0.00797422  0.03875584  0.00142936  228 LEU   A O    
1930 C  CB   . LEU   A 116 ? 0.13944879 0.23032042 0.25877795 0.00058748  0.04388473  -0.05717541 228 LEU   A CB   
1931 C  CG   . LEU   A 116 ? 0.11532783 0.26191249 0.27533257 0.00922773  0.03156251  -0.01800727 228 LEU   A CG   
1932 C  CD1  . LEU   A 116 ? 0.08181688 0.27956748 0.27072507 0.00866753  0.01753956  -0.01660043 228 LEU   A CD1  
1933 C  CD2  . LEU   A 116 ? 0.15788163 0.26217136 0.29156485 -0.00811837 0.04307724  -0.01591653 228 LEU   A CD2  
1934 H  H    . LEU   A 116 ? 0.14767237 0.20750317 0.29517120 -0.03965470 0.04956309  -0.01808076 228 LEU   A H    
1935 H  HA   . LEU   A 116 ? 0.14332423 0.19801585 0.28393456 -0.01143230 0.04624710  -0.02527680 228 LEU   A HA   
1936 H  HB2  . LEU   A 116 ? 0.13450058 0.22814728 0.26812434 -0.00004474 0.04075621  -0.04005753 228 LEU   A HB2  
1937 H  HB3  . LEU   A 116 ? 0.13288267 0.22724590 0.26707572 -0.00074313 0.03922091  -0.04023138 228 LEU   A HB3  
1938 H  HG   . LEU   A 116 ? 0.12165298 0.25904167 0.27442488 0.00483982  0.03416649  -0.02428982 228 LEU   A HG   
1939 H  HD11 . LEU   A 116 ? 0.09001166 0.27678868 0.27151686 0.00828421  0.02144423  -0.01700585 228 LEU   A HD11 
1940 H  HD12 . LEU   A 116 ? 0.08776899 0.27497107 0.27097276 0.00892390  0.02253737  -0.01740220 228 LEU   A HD12 
1941 H  HD13 . LEU   A 116 ? 0.08793231 0.27446538 0.27013898 0.00750966  0.01985172  -0.01808803 228 LEU   A HD13 
1942 H  HD21 . LEU   A 116 ? 0.14567368 0.26168033 0.28853866 -0.00250878 0.03927832  -0.01704874 228 LEU   A HD21 
1943 H  HD22 . LEU   A 116 ? 0.14740586 0.26290277 0.28822502 -0.00124728 0.04043964  -0.01549757 228 LEU   A HD22 
1944 H  HD23 . LEU   A 116 ? 0.14993745 0.26196018 0.28826085 -0.00298445 0.03657374  -0.01599519 228 LEU   A HD23 
1945 N  N    . ASN   A 117 ? 0.14855093 0.20032988 0.33395699 -0.01215936 0.07225516  -0.00024079 229 ASN   A N    
1946 C  CA   . ASN   A 117 ? 0.16603453 0.21768914 0.34101164 0.00549887  0.08486273  -0.01026880 229 ASN   A CA   
1947 C  C    . ASN   A 117 ? 0.16477010 0.21130727 0.34177756 0.00149397  0.07230750  -0.00146444 229 ASN   A C    
1948 O  O    . ASN   A 117 ? 0.19361190 0.24280967 0.36330858 0.05492570  0.09438431  0.02377269  229 ASN   A O    
1949 C  CB   . ASN   A 117 ? 0.21299179 0.22641569 0.40515327 0.00624721  0.08998452  -0.01791742 229 ASN   A CB   
1950 C  CG   . ASN   A 117 ? 0.31617099 0.25095111 0.45052788 -0.00698601 0.06602061  -0.04591376 229 ASN   A CG   
1951 O  OD1  . ASN   A 117 ? 0.41722861 0.24687138 0.51274508 -0.02256572 0.04441403  -0.05960197 229 ASN   A OD1  
1952 N  ND2  . ASN   A 117 ? 0.38532260 0.30857003 0.50226527 0.02617362  0.05693662  -0.06830516 229 ASN   A ND2  
1953 H  H    . ASN   A 117 ? 0.14951348 0.20282455 0.32487500 -0.00776353 0.06841905  -0.00548376 229 ASN   A H    
1954 H  HA   . ASN   A 117 ? 0.16783623 0.21426687 0.34806126 0.00196937  0.07993464  -0.00701398 229 ASN   A HA   
1955 H  HB2  . ASN   A 117 ? 0.21352404 0.22849442 0.39508250 0.00537080  0.08502139  -0.02102804 229 ASN   A HB2  
1956 H  HB3  . ASN   A 117 ? 0.21747036 0.22869445 0.39534053 0.00417528  0.08434479  -0.02111595 229 ASN   A HB3  
1957 H  HD21 . ASN   A 117 ? 0.36281100 0.28993189 0.48540664 0.01138093  0.06440371  -0.06165708 229 ASN   A HD21 
1958 H  HD22 . ASN   A 117 ? 0.36309609 0.28873140 0.48954579 0.01526709  0.06451119  -0.05834362 229 ASN   A HD22 
1959 N  N    . GLU   A 118 ? 0.17197758 0.21002923 0.31438056 -0.00133727 0.05631683  -0.00723548 230 GLU   A N    
1960 C  CA   . GLU   A 118 ? 0.17639790 0.20402153 0.28625360 -0.01595272 0.04201544  -0.01614641 230 GLU   A CA   
1961 C  C    . GLU   A 118 ? 0.12081839 0.19523248 0.25885138 -0.00079892 0.02993513  -0.00989403 230 GLU   A C    
1962 O  O    . GLU   A 118 ? 0.11222270 0.19852775 0.24314837 -0.00102436 0.01941913  -0.00422689 230 GLU   A O    
1963 C  CB   . GLU   A 118 ? 0.17733428 0.23425665 0.28251886 -0.02902575 0.04350881  -0.02633588 230 GLU   A CB   
1964 C  CG   . GLU   A 118 ? 0.22218779 0.23995891 0.30642736 -0.02378032 0.03898652  -0.03512257 230 GLU   A CG   
1965 C  CD   . GLU   A 118 ? 0.21889442 0.25045067 0.30888981 -0.03820470 0.03919362  -0.05161984 230 GLU   A CD   
1966 O  OE1  . GLU   A 118 ? 0.23668995 0.27063072 0.31652862 -0.06678177 0.02257364  -0.04400651 230 GLU   A OE1  
1967 O  OE2  . GLU   A 118 ? 0.25065956 0.27450413 0.35612178 -0.06669830 0.05225958  -0.06639248 230 GLU   A OE2  
1968 H  H    . GLU   A 118 ? 0.17131045 0.20863318 0.31270137 -0.00429003 0.05623163  -0.00791584 230 GLU   A H    
1969 H  HA   . GLU   A 118 ? 0.17050759 0.20924613 0.28534490 -0.01409393 0.04038117  -0.01385048 230 GLU   A HA   
1970 H  HB2  . GLU   A 118 ? 0.18175355 0.22794555 0.28770122 -0.02379158 0.04358102  -0.02585923 230 GLU   A HB2  
1971 H  HB3  . GLU   A 118 ? 0.18444464 0.22768630 0.28754324 -0.02449724 0.04229776  -0.02530213 230 GLU   A HB3  
1972 H  HG2  . GLU   A 118 ? 0.21558249 0.24158256 0.30145168 -0.02952062 0.03881475  -0.03644719 230 GLU   A HG2  
1973 H  HG3  . GLU   A 118 ? 0.21147566 0.24229527 0.30193007 -0.02787718 0.03943211  -0.03756995 230 GLU   A HG3  
1974 N  N    . ILE   A 119 ? 0.12057772 0.19076200 0.25388247 0.00478224  0.02319909  -0.00331179 231 ILE   A N    
1975 C  CA   . ILE   A 119 ? 0.11718211 0.20191103 0.25466996 0.02123948  0.01457600  -0.01155865 231 ILE   A CA   
1976 C  C    . ILE   A 119 ? 0.12342757 0.21769086 0.25581625 0.03447407  0.00711678  -0.00875949 231 ILE   A C    
1977 O  O    . ILE   A 119 ? 0.13859734 0.26832408 0.26540285 0.06114175  0.01000147  0.00112767  231 ILE   A O    
1978 C  CB   . ILE   A 119 ? 0.12541871 0.21323650 0.25355569 0.01593687  0.01687688  -0.00354390 231 ILE   A CB   
1979 C  CG1  . ILE   A 119 ? 0.12296910 0.21130548 0.25422156 0.02629902  0.01641847  0.00021326  231 ILE   A CG1  
1980 C  CG2  . ILE   A 119 ? 0.10346655 0.22561210 0.25757456 0.02372635  0.00746498  -0.00972605 231 ILE   A CG2  
1981 C  CD1  . ILE   A 119 ? 0.14825928 0.22284667 0.26203334 0.02331014  0.02215032  -0.00033218 231 ILE   A CD1  
1982 H  H    . ILE   A 119 ? 0.12059232 0.19229074 0.25494632 0.00606660  0.02414723  -0.00495460 231 ILE   A H    
1983 H  HA   . ILE   A 119 ? 0.12050919 0.20463362 0.25477284 0.01918599  0.01524909  -0.00831533 231 ILE   A HA   
1984 H  HB   . ILE   A 119 ? 0.11928179 0.21321587 0.25469145 0.02052896  0.01457948  -0.00543992 231 ILE   A HB   
1985 H  HG12 . ILE   A 119 ? 0.12863959 0.21252574 0.25469479 0.02364359  0.01744700  0.00039019  231 ILE   A HG12 
1986 H  HG13 . ILE   A 119 ? 0.12880726 0.21319123 0.25550371 0.02284255  0.01798805  -0.00082602 231 ILE   A HG13 
1987 H  HG21 . ILE   A 119 ? 0.10909489 0.22222427 0.25655007 0.02136433  0.00984088  -0.00796159 231 ILE   A HG21 
1988 H  HG22 . ILE   A 119 ? 0.10882972 0.22298905 0.25691572 0.02125253  0.00994966  -0.00863685 231 ILE   A HG22 
1989 H  HG23 . ILE   A 119 ? 0.10532587 0.22241531 0.25594398 0.02138902  0.00845077  -0.00812206 231 ILE   A HG23 
1990 H  HD11 . ILE   A 119 ? 0.14114454 0.22047693 0.26085189 0.02379347  0.02126889  -0.00110989 231 ILE   A HD11 
1991 H  HD12 . ILE   A 119 ? 0.14410047 0.21987741 0.26059523 0.02492105  0.02220503  0.00007032  231 ILE   A HD12 
1992 H  HD13 . ILE   A 119 ? 0.14066868 0.22081695 0.26030686 0.02422691  0.02074275  0.00026899  231 ILE   A HD13 
1993 N  N    . SER   A 120 ? 0.09906226 0.21763116 0.25751963 0.03714833  -0.00452812 -0.00782358 232 SER   A N    
1994 C  CA   . SER   A 120 ? 0.10183796 0.21350293 0.26611289 0.04184616  -0.01593426 -0.01643687 232 SER   A CA   
1995 C  C    . SER   A 120 ? 0.08950055 0.21954176 0.26358327 0.02866283  -0.01294813 -0.02010375 232 SER   A C    
1996 O  O    . SER   A 120 ? 0.08707342 0.25415635 0.26874852 0.04040685  -0.00613510 -0.02304684 232 SER   A O    
1997 C  CB   . SER   A 120 ? 0.13039997 0.21310097 0.29889929 0.04873056  -0.01167512 -0.03051780 232 SER   A CB   
1998 O  OG   . SER   A 120 ? 0.14378633 0.22467852 0.33337650 0.04696233  -0.01019452 -0.02855208 232 SER   A OG   
1999 H  H    . SER   A 120 ? 0.10507468 0.21597102 0.25801697 0.03752298  -0.00467983 -0.00929926 232 SER   A H    
2000 H  HA   . SER   A 120 ? 0.10406540 0.21515363 0.26793158 0.04014063  -0.01250185 -0.01668181 232 SER   A HA   
2001 H  HB2  . SER   A 120 ? 0.12607825 0.21638963 0.29810801 0.04645158  -0.01222191 -0.02730878 232 SER   A HB2  
2002 H  HB3  . SER   A 120 ? 0.12804854 0.21619792 0.29724568 0.04584519  -0.01202466 -0.02671409 232 SER   A HB3  
2003 H  HG   . SER   A 120 ? 0.24223359 0.24223359 0.24223359 0.00000000  0.00000000  0.00000000  232 SER   A HG   
2004 N  N    . LYS   A 121 ? 0.09638185 0.21808302 0.27018148 0.01555245  -0.01909290 -0.02456731 233 LYS   A N    
2005 C  CA   . LYS   A 121 ? 0.09885947 0.22159767 0.28382790 0.00881017  -0.01586497 -0.03129210 233 LYS   A CA   
2006 C  C    . LYS   A 121 ? 0.09158945 0.22090484 0.26618659 0.00809093  -0.00987467 -0.02502066 233 LYS   A C    
2007 O  O    . LYS   A 121 ? 0.08808224 0.23294614 0.27508682 0.01009079  -0.02092305 -0.03362676 233 LYS   A O    
2008 C  CB   . LYS   A 121 ? 0.16478691 0.26994359 0.31118625 0.00347971  -0.00187757 -0.01996324 233 LYS   A CB   
2009 C  CG   . LYS   A 121 ? 0.19914106 0.33105552 0.35394126 -0.01511857 0.02135960  -0.02166754 233 LYS   A CG   
2010 C  CD   . LYS   A 121 ? 0.26174623 0.36496490 0.39513788 -0.00992216 0.03823482  0.00062706  233 LYS   A CD   
2011 C  CE   . LYS   A 121 ? 0.32341135 0.42666149 0.42712849 -0.00951180 0.06309933  0.00251326  233 LYS   A CE   
2012 N  NZ   . LYS   A 121 ? 0.40588313 0.45836949 0.49870867 -0.02832374 0.06900282  0.01998316  233 LYS   A NZ   
2013 H  H    . LYS   A 121 ? 0.09624261 0.21915938 0.27137443 0.01768274  -0.01659350 -0.02461318 233 LYS   A H    
2014 H  HA   . LYS   A 121 ? 0.10172056 0.22649159 0.28020614 0.01059714  -0.01421825 -0.02655771 233 LYS   A HA   
2015 H  HB2  . LYS   A 121 ? 0.15465482 0.26545170 0.31093359 0.00059059  0.00148015  -0.02362136 233 LYS   A HB2  
2016 H  HB3  . LYS   A 121 ? 0.15133718 0.26821223 0.31059247 0.00320955  0.00007509  -0.02163547 233 LYS   A HB3  
2017 H  HG2  . LYS   A 121 ? 0.20324625 0.31907460 0.34924740 -0.01067491 0.02090638  -0.01770314 233 LYS   A HG2  
2018 H  HG3  . LYS   A 121 ? 0.19974476 0.31859148 0.34799224 -0.00858580 0.01923072  -0.01639546 233 LYS   A HG3  
2019 H  HD2  . LYS   A 121 ? 0.25505644 0.36635250 0.38922611 -0.01128813 0.03958351  -0.00471240 233 LYS   A HD2  
2020 H  HD3  . LYS   A 121 ? 0.25652489 0.36801618 0.39068440 -0.00978521 0.04003265  -0.00349858 233 LYS   A HD3  
2021 H  HE2  . LYS   A 121 ? 0.32061002 0.41713813 0.43102711 -0.01498361 0.05890240  0.00423862  233 LYS   A HE2  
2022 H  HE3  . LYS   A 121 ? 0.32157949 0.41516373 0.43212438 -0.01297368 0.05940711  0.00614461  233 LYS   A HE3  
2023 H  HZ1  . LYS   A 121 ? 0.38324726 0.44959351 0.48099914 -0.02063503 0.07288265  0.01741397  233 LYS   A HZ1  
2024 H  HZ2  . LYS   A 121 ? 0.38033378 0.45469642 0.47762173 -0.02552978 0.06898648  0.01331442  233 LYS   A HZ2  
2025 H  HZ3  . LYS   A 121 ? 0.38136780 0.45258769 0.48390058 -0.02555905 0.06351119  0.02028687  233 LYS   A HZ3  
2026 N  N    . LEU   A 122 ? 0.03300268 0.21924227 0.28760803 0.02463526  -0.00907499 -0.03062420 234 LEU   A N    
2027 C  CA   . LEU   A 122 ? 0.07379139 0.22053528 0.27494395 0.01377754  -0.00643702 -0.02758703 234 LEU   A CA   
2028 C  C    . LEU   A 122 ? 0.07581341 0.22125091 0.28751716 0.00162289  -0.00204933 -0.03384904 234 LEU   A C    
2029 O  O    . LEU   A 122 ? 0.08007608 0.24655047 0.33323142 0.02587128  -0.01659666 -0.03021997 234 LEU   A O    
2030 C  CB   . LEU   A 122 ? 0.11278096 0.24699795 0.28115198 0.01566339  -0.01509357 -0.02208816 234 LEU   A CB   
2031 C  CG   . LEU   A 122 ? 0.13595718 0.24673672 0.27187690 0.02503233  -0.00939173 -0.01712605 234 LEU   A CG   
2032 C  CD1  . LEU   A 122 ? 0.13250399 0.25341332 0.27012080 0.02995218  -0.00020348 -0.01174632 234 LEU   A CD1  
2033 C  CD2  . LEU   A 122 ? 0.18516408 0.26327682 0.27228194 0.02002559  -0.01064339 -0.01540803 234 LEU   A CD2  
2034 H  H    . LEU   A 122 ? 0.03391154 0.21867137 0.27988011 0.02372829  -0.01085163 -0.02807876 234 LEU   A H    
2035 H  HA   . LEU   A 122 ? 0.07346220 0.22469407 0.28071365 0.01372641  -0.00718759 -0.02852889 234 LEU   A HA   
2036 H  HB2  . LEU   A 122 ? 0.10891520 0.24192798 0.27772391 0.01847051  -0.01160701 -0.02271118 234 LEU   A HB2  
2037 H  HB3  . LEU   A 122 ? 0.11132348 0.24088961 0.27818453 0.01620535  -0.01122455 -0.02272195 234 LEU   A HB3  
2038 H  HG   . LEU   A 122 ? 0.13800612 0.25001937 0.27363396 0.02282807  -0.00887648 -0.01680515 234 LEU   A HG   
2039 H  HD11 . LEU   A 122 ? 0.13257599 0.25102791 0.27043176 0.02843859  -0.00296850 -0.01328642 234 LEU   A HD11 
2040 H  HD12 . LEU   A 122 ? 0.13309555 0.25150806 0.27086705 0.02841256  -0.00278256 -0.01317492 234 LEU   A HD12 
2041 H  HD13 . LEU   A 122 ? 0.13362530 0.25216609 0.27058217 0.02909472  -0.00281064 -0.01331861 234 LEU   A HD13 
2042 H  HD21 . LEU   A 122 ? 0.17963627 0.25938815 0.27255630 0.01921281  -0.00936009 -0.01599273 234 LEU   A HD21 
2043 H  HD22 . LEU   A 122 ? 0.17261933 0.26076621 0.27251151 0.02269859  -0.01026328 -0.01600113 234 LEU   A HD22 
2044 H  HD23 . LEU   A 122 ? 0.17177664 0.25958896 0.27340490 0.02106136  -0.01042052 -0.01495339 234 LEU   A HD23 
2045 N  N    . GLY   A 123 ? 0.06343832 0.21953665 0.27820760 -0.00161795 -0.00470650 -0.04607634 235 GLY   A N    
2046 C  CA   . GLY   A 123 ? 0.07178054 0.22316112 0.28225443 0.00309573  0.00021974  -0.04229249 235 GLY   A CA   
2047 C  C    . GLY   A 123 ? 0.05987356 0.22303757 0.28522605 -0.00405675 0.00856470  -0.04579090 235 GLY   A C    
2048 O  O    . GLY   A 123 ? 0.04769184 0.24119641 0.32271057 -0.00324750 0.01563868  -0.05041596 235 GLY   A O    
2049 H  H    . GLY   A 123 ? 0.06320085 0.22055644 0.28046846 -0.00052642 -0.00477983 -0.04249375 235 GLY   A H    
2050 H  HA2  . GLY   A 123 ? 0.07101268 0.22252741 0.28262299 0.00037777  0.00013031  -0.04377373 235 GLY   A HA2  
2051 H  HA3  . GLY   A 123 ? 0.06765270 0.22211760 0.28166845 0.00053025  0.00051565  -0.04368360 235 GLY   A HA3  
2052 N  N    . ILE   A 124 ? 0.05150839 0.21849927 0.29201943 -0.00054601 0.00387455  -0.03895240 236 ILE   A N    
2053 C  CA   . ILE   A 124 ? 0.07513067 0.23208456 0.28695589 -0.00831814 0.00114895  -0.03153276 236 ILE   A CA   
2054 C  C    . ILE   A 124 ? 0.09899313 0.21953292 0.28887051 -0.00619397 0.01381623  -0.04024963 236 ILE   A C    
2055 O  O    . ILE   A 124 ? 0.09031693 0.23092106 0.31877393 -0.00041048 0.01253781  -0.04711477 236 ILE   A O    
2056 C  CB   . ILE   A 124 ? 0.05973316 0.24481553 0.29948983 -0.00188275 -0.00397859 -0.02652786 236 ILE   A CB   
2057 C  CG1  . ILE   A 124 ? 0.11372884 0.24127555 0.31289637 0.01078553  0.00573950  -0.02147078 236 ILE   A CG1  
2058 C  CG2  . ILE   A 124 ? 0.06227941 0.25791863 0.29962963 -0.02341089 -0.00537911 -0.02310616 236 ILE   A CG2  
2059 C  CD1  . ILE   A 124 ? 0.14922138 0.25756896 0.34260002 0.02310066  0.00621141  -0.00442136 236 ILE   A CD1  
2060 H  H    . ILE   A 124 ? 0.05638298 0.22247034 0.28829646 -0.00303193 0.00592151  -0.03902097 236 ILE   A H    
2061 H  HA   . ILE   A 124 ? 0.07439656 0.22912203 0.29112822 -0.00508869 0.00230092  -0.03389856 236 ILE   A HA   
2062 H  HB   . ILE   A 124 ? 0.06566591 0.24431759 0.29818699 -0.00513853 0.00086075  -0.02580576 236 ILE   A HB   
2063 H  HG12 . ILE   A 124 ? 0.10658288 0.24545743 0.31479043 0.01019425  0.00236652  -0.01918641 236 ILE   A HG12 
2064 H  HG13 . ILE   A 124 ? 0.10413118 0.24471226 0.31331038 0.00986917  0.00315030  -0.01978268 236 ILE   A HG13 
2065 H  HG21 . ILE   A 124 ? 0.06326260 0.25427672 0.30073282 -0.01698817 -0.00419551 -0.02435100 236 ILE   A HG21 
2066 H  HG22 . ILE   A 124 ? 0.06272999 0.25407293 0.29996464 -0.01699512 -0.00496441 -0.02415319 236 ILE   A HG22 
2067 H  HG23 . ILE   A 124 ? 0.06279736 0.25385270 0.29989433 -0.01708448 -0.00454344 -0.02409271 236 ILE   A HG23 
2068 H  HD11 . ILE   A 124 ? 0.14151670 0.25349140 0.33592498 0.01958555  0.00273938  -0.00948418 236 ILE   A HD11 
2069 H  HD12 . ILE   A 124 ? 0.13780567 0.25578994 0.33341432 0.02001113  0.00568959  -0.00996479 236 ILE   A HD12 
2070 H  HD13 . ILE   A 124 ? 0.13689359 0.25406161 0.33723089 0.01932291  0.00656021  -0.00779976 236 ILE   A HD13 
2071 N  N    . SER   A 125 ? 0.09117839 0.21879452 0.29163912 -0.00549515 0.01504516  -0.03412186 237 SER   A N    
2072 C  CA   . SER   A 125 ? 0.09834404 0.21553117 0.30324435 0.00062404  0.01420435  -0.02869471 237 SER   A CA   
2073 C  C    . SER   A 125 ? 0.10422350 0.21624202 0.29130948 0.00296691  0.01140850  -0.02506921 237 SER   A C    
2074 O  O    . SER   A 125 ? 0.10300293 0.21952383 0.28436559 -0.01833499 -0.00085322 -0.02238305 237 SER   A O    
2075 C  CB   . SER   A 125 ? 0.15876596 0.23374663 0.31560883 0.00202826  0.01028193  -0.02006096 237 SER   A CB   
2076 O  OG   . SER   A 125 ? 0.17708789 0.27444327 0.34797862 0.00470171  -0.00600308 -0.02725406 237 SER   A OG   
2077 H  H    . SER   A 125 ? 0.09241434 0.21830416 0.29268190 -0.00485791 0.01550900  -0.03394215 237 SER   A H    
2078 H  HA   . SER   A 125 ? 0.10036671 0.21896622 0.30038878 -0.00112606 0.01322802  -0.02784669 237 SER   A HA   
2079 H  HB2  . SER   A 125 ? 0.14508149 0.23443598 0.31821185 0.00174789  0.00821476  -0.02310114 237 SER   A HB2  
2080 H  HB3  . SER   A 125 ? 0.14567576 0.23674990 0.31902304 0.00175279  0.00758275  -0.02302449 237 SER   A HB3  
2081 H  HG   . SER   A 125 ? 0.28606766 0.28606766 0.28606766 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2082 N  N    . GLY   A 126 ? 0.12542352 0.22000103 0.30169347 -0.00200960 0.02490874  -0.03141522 238 GLY   A N    
2083 C  CA   . GLY   A 126 ? 0.12428647 0.22554073 0.30156472 0.00368928  0.02242325  -0.02812388 238 GLY   A CA   
2084 C  C    . GLY   A 126 ? 0.13052690 0.23301205 0.28462246 -0.00283042 0.00998135  -0.00468245 238 GLY   A C    
2085 O  O    . GLY   A 126 ? 0.12381957 0.24345967 0.28686437 -0.02282857 0.01914383  -0.01187086 238 GLY   A O    
2086 H  H    . GLY   A 126 ? 0.11968514 0.22034535 0.29920584 0.00052502  0.02079085  -0.02895859 238 GLY   A H    
2087 H  HA2  . GLY   A 126 ? 0.12730007 0.22809938 0.29953855 0.00052278  0.02015935  -0.02435453 238 GLY   A HA2  
2088 H  HA3  . GLY   A 126 ? 0.12600890 0.22636089 0.29818201 0.00089342  0.01955562  -0.02382271 238 GLY   A HA3  
2089 N  N    . ASP   A 127 ? 0.11664774 0.24369876 0.27718687 -0.02069227 0.00649159  -0.00741071 239 ASP   A N    
2090 C  CA   . ASP   A 127 ? 0.11732839 0.24804892 0.28183582 -0.00867704 0.00767339  -0.00974902 239 ASP   A CA   
2091 C  C    . ASP   A 127 ? 0.11551123 0.24563004 0.27653703 -0.00511911 0.01234630  -0.00859017 239 ASP   A C    
2092 O  O    . ASP   A 127 ? 0.12648591 0.25206521 0.26507878 0.00564948  -0.00296760 -0.01156431 239 ASP   A O    
2093 C  CB   . ASP   A 127 ? 0.12677062 0.27074376 0.30861571 0.01119770  0.01496291  -0.01090809 239 ASP   A CB   
2094 C  CG   . ASP   A 127 ? 0.16052483 0.27874377 0.33113939 0.02123224  0.01929404  0.00106489  239 ASP   A CG   
2095 O  OD1  . ASP   A 127 ? 0.21502596 0.30441615 0.37232876 0.02694909  0.04084317  0.04125310  239 ASP   A OD1  
2096 O  OD2  . ASP   A 127 ? 0.14602000 0.26271448 0.36313668 0.00924363  0.00815896  0.01436692  239 ASP   A OD2  
2097 H  H    . ASP   A 127 ? 0.11593156 0.24201939 0.28017810 -0.01419679 0.00866467  -0.00740747 239 ASP   A H    
2098 H  HA   . ASP   A 127 ? 0.11833096 0.25010568 0.28410125 -0.00704332 0.01000153  -0.00890906 239 ASP   A HA   
2099 H  HB2  . ASP   A 127 ? 0.13097177 0.26601636 0.30575848 0.00863872  0.01376128  -0.00800675 239 ASP   A HB2  
2100 H  HB3  . ASP   A 127 ? 0.13083296 0.26636803 0.30578929 0.00880369  0.01430373  -0.00761275 239 ASP   A HB3  
2101 N  N    . ILE   A 128 ? 0.11800136 0.24440934 0.27030477 0.00073887  0.01715225  -0.00693250 240 ILE   A N    
2102 C  CA   . ILE   A 128 ? 0.11808603 0.25348115 0.27405354 -0.00865971 0.01375352  -0.00642488 240 ILE   A CA   
2103 C  C    . ILE   A 128 ? 0.12510742 0.27302036 0.28404117 -0.01489190 0.02401354  -0.01349017 240 ILE   A C    
2104 O  O    . ILE   A 128 ? 0.13850743 0.28900027 0.27970728 0.00779007  0.02887085  0.00411455  240 ILE   A O    
2105 C  CB   . ILE   A 128 ? 0.10789948 0.26142338 0.29256639 -0.01435174 0.00959051  0.00070136  240 ILE   A CB   
2106 C  CG1  . ILE   A 128 ? 0.13001333 0.28454572 0.29816788 -0.03376597 0.02361597  -0.00331542 240 ILE   A CG1  
2107 C  CG2  . ILE   A 128 ? 0.11856382 0.26409960 0.30937010 -0.01632213 0.02404405  -0.00332873 240 ILE   A CG2  
2108 C  CD1  . ILE   A 128 ? 0.15715641 0.28709462 0.31478852 -0.03032787 0.02464168  -0.00731397 240 ILE   A CD1  
2109 H  H    . ILE   A 128 ? 0.11740468 0.24679008 0.27112499 -0.00280905 0.01571455  -0.00746328 240 ILE   A H    
2110 H  HA   . ILE   A 128 ? 0.11785309 0.25612345 0.27701944 -0.00856101 0.01583426  -0.00736045 240 ILE   A HA   
2111 H  HB   . ILE   A 128 ? 0.11460188 0.26319563 0.29010808 -0.01582860 0.01389255  -0.00033910 240 ILE   A HB   
2112 H  HG12 . ILE   A 128 ? 0.13029744 0.27957359 0.30140549 -0.02872774 0.02160486  -0.00381710 240 ILE   A HG12 
2113 H  HG13 . ILE   A 128 ? 0.12785721 0.27924970 0.30002585 -0.02828147 0.02130542  -0.00318374 240 ILE   A HG13 
2114 H  HG21 . ILE   A 128 ? 0.11601036 0.26398623 0.30485475 -0.01596212 0.01991714  -0.00245549 240 ILE   A HG21 
2115 H  HG22 . ILE   A 128 ? 0.11656729 0.26445681 0.30628082 -0.01631882 0.02057258  -0.00379864 240 ILE   A HG22 
2116 H  HG23 . ILE   A 128 ? 0.11566499 0.26386541 0.30544546 -0.01592581 0.01978945  -0.00207116 240 ILE   A HG23 
2117 H  HD11 . ILE   A 128 ? 0.15077424 0.28676265 0.31145704 -0.03175082 0.02511029  -0.00687040 240 ILE   A HD11 
2118 H  HD12 . ILE   A 128 ? 0.14942504 0.28637099 0.31115103 -0.03126770 0.02370142  -0.00580034 240 ILE   A HD12 
2119 H  HD13 . ILE   A 128 ? 0.15482052 0.28628370 0.31040362 -0.03024069 0.02310896  -0.00632128 240 ILE   A HD13 
2120 N  N    . ASP   A 129 ? 0.13276450 0.24741042 0.27563784 -0.00070865 0.02748152  -0.02889698 241 ASP   A N    
2121 C  CA   . ASP   A 129 ? 0.13479817 0.26406473 0.28912309 0.00690226  0.03835684  -0.02402039 241 ASP   A CA   
2122 C  C    . ASP   A 129 ? 0.08659694 0.26192176 0.26890564 -0.01174259 0.02141513  -0.01283855 241 ASP   A C    
2123 O  O    . ASP   A 129 ? 0.19769885 0.26833490 0.27343529 0.00982995  0.04576298  0.00848523  241 ASP   A O    
2124 C  CB   . ASP   A 129 ? 0.18256719 0.30241990 0.32828251 -0.00225359 0.02613324  -0.03402920 241 ASP   A CB   
2125 C  CG   . ASP   A 129 ? 0.30185282 0.34974396 0.39747992 -0.02605362 0.02964251  -0.02790287 241 ASP   A CG   
2126 O  OD1  . ASP   A 129 ? 0.38268244 0.40008742 0.44437820 -0.05950937 0.04868631  -0.01096494 241 ASP   A OD1  
2127 O  OD2  . ASP   A 129 ? 0.39247993 0.45693874 0.43673724 -0.01417681 0.01137444  -0.06736660 241 ASP   A OD2  
2128 H  H    . ASP   A 129 ? 0.13132475 0.25724590 0.27850324 -0.00212958 0.03005879  -0.02446204 241 ASP   A H    
2129 H  HA   . ASP   A 129 ? 0.13001716 0.26593140 0.28624910 -0.00024296 0.03112686  -0.02352621 241 ASP   A HA   
2130 H  HB2  . ASP   A 129 ? 0.18720520 0.29853690 0.32884040 -0.00348144 0.02912568  -0.03036562 241 ASP   A HB2  
2131 H  HB3  . ASP   A 129 ? 0.18492597 0.29794171 0.32742989 -0.00265048 0.02986769  -0.03002764 241 ASP   A HB3  
2132 N  N    . LEU   A 130 ? 0.08174463 0.27384296 0.26218033 -0.01001543 0.01746296  -0.00419085 242 LEU   A N    
2133 C  CA   . LEU   A 130 ? 0.03768016 0.27675438 0.26518071 -0.00624316 0.02296810  0.00101667  242 LEU   A CA   
2134 C  C    . LEU   A 130 ? 0.05249081 0.27549192 0.26739749 -0.00713278 0.00902546  0.00133029  242 LEU   A C    
2135 O  O    . LEU   A 130 ? 0.05767657 0.33184358 0.28724530 0.00028924  0.01850739  0.02148534  242 LEU   A O    
2136 C  CB   . LEU   A 130 ? 0.03360467 0.28757626 0.27127743 -0.00104611 0.01038381  0.00157410  242 LEU   A CB   
2137 C  CG   . LEU   A 130 ? 0.04730963 0.28438321 0.27723119 0.00545601  0.00514793  0.00547932  242 LEU   A CG   
2138 C  CD1  . LEU   A 130 ? 0.05910807 0.29166877 0.28053036 -0.00933076 0.00147330  0.00081529  242 LEU   A CD1  
2139 C  CD2  . LEU   A 130 ? 0.05394512 0.29526961 0.28823963 0.00574402  -0.00243346 0.00491260  242 LEU   A CD2  
2140 H  H    . LEU   A 130 ? 0.07305695 0.27185199 0.26519433 -0.00916552 0.01971887  -0.00533692 242 LEU   A H    
2141 H  HA   . LEU   A 130 ? 0.04144395 0.27720809 0.26349613 -0.00829725 0.02180482  0.00161549  242 LEU   A HA   
2142 H  HB2  . LEU   A 130 ? 0.03638850 0.28397542 0.27084953 -0.00015907 0.01169274  0.00266271  242 LEU   A HB2  
2143 H  HB3  . LEU   A 130 ? 0.03710395 0.28434509 0.27114576 -0.00066271 0.01252595  0.00240944  242 LEU   A HB3  
2144 H  HG   . LEU   A 130 ? 0.04587682 0.28747326 0.27810135 0.00280311  0.00314942  0.00437000  242 LEU   A HG   
2145 H  HD11 . LEU   A 130 ? 0.05628322 0.28933084 0.27949727 -0.00530489 0.00332017  0.00200514  242 LEU   A HD11 
2146 H  HD12 . LEU   A 130 ? 0.05629633 0.28995657 0.27964762 -0.00523258 0.00300113  0.00209030  242 LEU   A HD12 
2147 H  HD13 . LEU   A 130 ? 0.05856184 0.29049301 0.28005952 -0.00660041 0.00397182  0.00147840  242 LEU   A HD13 
2148 H  HD21 . LEU   A 130 ? 0.05447580 0.29255828 0.28613713 0.00627204  -0.00125966 0.00464452  242 LEU   A HD21 
2149 H  HD22 . LEU   A 130 ? 0.05292090 0.29245380 0.28526574 0.00559827  -0.00017797 0.00489229  242 LEU   A HD22 
2150 H  HD23 . LEU   A 130 ? 0.05261475 0.29333454 0.28519481 0.00591557  -0.00032789 0.00509854  242 LEU   A HD23 
2151 N  N    . THR   A 131 ? 0.04496204 0.26002836 0.28515181 -0.01979862 0.01573173  0.00601421  243 THR   A N    
2152 C  CA   . THR   A 131 ? 0.06707436 0.27220717 0.29195255 -0.00487237 0.01005635  -0.00650442 243 THR   A CA   
2153 C  C    . THR   A 131 ? 0.05632825 0.27082783 0.30387971 -0.01124111 0.01163810  -0.01534330 243 THR   A C    
2154 O  O    . THR   A 131 ? 0.07932098 0.29756594 0.36388013 0.02202621  0.02922108  -0.01576252 243 THR   A O    
2155 C  CB   . THR   A 131 ? 0.13881417 0.30709714 0.28701252 0.00339481  0.00229175  -0.02087241 243 THR   A CB   
2156 O  OG1  . THR   A 131 ? 0.18620712 0.32381207 0.31069964 -0.01563877 0.00729737  -0.03392854 243 THR   A OG1  
2157 C  CG2  . THR   A 131 ? 0.13882913 0.32012326 0.29832950 0.01062198  0.00100219  -0.03009640 243 THR   A CG2  
2158 H  H    . THR   A 131 ? 0.04539941 0.26636028 0.28084719 -0.01385711 0.01581020  0.00209656  243 THR   A H    
2159 H  HA   . THR   A 131 ? 0.07029461 0.27456018 0.29193833 -0.00805368 0.01046007  -0.00750711 243 THR   A HA   
2160 H  HB   . THR   A 131 ? 0.13626401 0.30531502 0.29405132 0.00249115  0.00381161  -0.02209768 243 THR   A HB   
2161 H  HG1  . THR   A 131 ? 0.28543442 0.28543442 0.28543442 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2162 H  HG21 . THR   A 131 ? 0.13921349 0.31642836 0.29650459 0.00860804  0.00102022  -0.02712812 243 THR   A HG21 
2163 H  HG22 . THR   A 131 ? 0.14046572 0.31676161 0.29534793 0.00928341  0.00103998  -0.02730218 243 THR   A HG22 
2164 H  HG23 . THR   A 131 ? 0.13870351 0.31698710 0.29542565 0.00847949  0.00132659  -0.02687687 243 THR   A HG23 
2165 N  N    A SER   A 132 ? 0.07114396 0.27500024 0.31269833 -0.01694754 0.00178346  -0.01040343 244 SER   A N    
2166 N  N    B SER   A 132 ? 0.06655405 0.24507330 0.28842598 -0.00888017 0.00889733  -0.01157451 244 SER   A N    
2167 C  CA   A SER   A 132 ? 0.10346839 0.27752945 0.30960223 0.00310648  0.00787255  -0.01184084 244 SER   A CA   
2168 C  CA   B SER   A 132 ? 0.07932252 0.23634012 0.27376956 0.00445277  0.01717700  -0.00938450 244 SER   A CA   
2169 C  C    A SER   A 132 ? 0.10537341 0.26800945 0.29042435 0.00481065  0.01120881  -0.01300180 244 SER   A C    
2170 C  C    B SER   A 132 ? 0.08015632 0.24054730 0.27318650 0.00899242  0.01495348  -0.01089927 244 SER   A C    
2171 O  O    A SER   A 132 ? 0.10884366 0.26873362 0.28705457 -0.00446841 0.03437490  -0.00801807 244 SER   A O    
2172 O  O    B SER   A 132 ? 0.08959252 0.21374026 0.26557365 0.00651201  0.02514897  -0.01254788 244 SER   A O    
2173 C  CB   A SER   A 132 ? 0.14236973 0.29292005 0.31910232 0.00407767  0.00270986  -0.00293663 244 SER   A CB   
2174 C  CB   B SER   A 132 ? 0.09820680 0.22763595 0.26762968 0.00088213  0.01167280  -0.01072497 244 SER   A CB   
2175 O  OG   A SER   A 132 ? 0.18846957 0.30540520 0.33799672 0.01374965  -0.00931918 0.00855002  244 SER   A OG   
2176 O  OG   B SER   A 132 ? 0.12598942 0.23630974 0.26769271 0.00373196  0.02057908  -0.00626871 244 SER   A OG   
2177 H  H    A SER   A 132 ? 0.07588937 0.27487713 0.30955240 -0.01235318 0.00545219  -0.01163325 244 SER   A H    
2178 H  H    B SER   A 132 ? 0.06841375 0.24929574 0.28874525 -0.00685264 0.01109314  -0.01157144 244 SER   A H    
2179 H  HA   A SER   A 132 ? 0.10179348 0.27744368 0.30784684 -0.00018243 0.00705596  -0.01042876 244 SER   A HA   
2180 H  HA   B SER   A 132 ? 0.07957139 0.23789319 0.27428970 0.00207184  0.01546424  -0.01025496 244 SER   A HA   
2181 H  HB2  A SER   A 132 ? 0.14089885 0.29126686 0.32032475 0.00601278  0.00162813  -0.00260192 244 SER   A HB2  
2182 H  HB2  B SER   A 132 ? 0.09911561 0.23012573 0.26867834 0.00241969  0.01494238  -0.01021531 244 SER   A HB2  
2183 H  HB3  A SER   A 132 ? 0.14072606 0.29109913 0.32008061 0.00613450  0.00152302  -0.00263364 244 SER   A HB3  
2184 H  HB3  B SER   A 132 ? 0.09676649 0.23120600 0.26912758 0.00138945  0.01410171  -0.00995650 244 SER   A HB3  
2185 H  HG   A SER   A 132 ? 0.32520297 0.32520297 0.32520297 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2186 H  HG   B SER   A 132 ? 0.22283059 0.22283059 0.22283059 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2187 N  N    . ALA   A 133 ? 0.09058318 0.26843604 0.28219533 0.01033461  0.01333950  -0.01657467 245 ALA   A N    
2188 C  CA   . ALA   A 133 ? 0.09155679 0.26797336 0.30052632 0.01345414  0.01192118  -0.02437973 245 ALA   A CA   
2189 C  C    . ALA   A 133 ? 0.09983896 0.27349752 0.32152650 0.02043082  0.02137376  -0.02555478 245 ALA   A C    
2190 O  O    . ALA   A 133 ? 0.11335038 0.30189064 0.34526372 0.01579628  0.05067915  -0.02948665 245 ALA   A O    
2191 C  CB   . ALA   A 133 ? 0.16031878 0.27479306 0.30118528 0.01643261  0.00341813  -0.03029586 245 ALA   A CB   
2192 H  H    . ALA   A 133 ? 0.09047958 0.26209810 0.28515139 0.00972792  0.01339724  -0.01603714 245 ALA   A H    
2193 H  HA   . ALA   A 133 ? 0.10129766 0.26938280 0.29883978 0.01442681  0.01497135  -0.02380251 245 ALA   A HA   
2194 H  HB1  . ALA   A 133 ? 0.14026628 0.27417135 0.30236667 0.01601213  0.00565472  -0.02769711 245 ALA   A HB1  
2195 H  HB2  . ALA   A 133 ? 0.14430922 0.27335754 0.30559391 0.01608834  0.00204148  -0.02772754 245 ALA   A HB2  
2196 H  HB3  . ALA   A 133 ? 0.14411393 0.27481949 0.30319196 0.01864905  0.00756063  -0.02671030 245 ALA   A HB3  
2197 N  N    . SER   A 134 ? 0.07987849 0.27080396 0.33462325 0.01857550  0.02548743  -0.03074992 246 SER   A N    
2198 C  CA   . SER   A 134 ? 0.08574657 0.25775856 0.34771460 0.00977297  0.01935419  -0.03289226 246 SER   A CA   
2199 C  C    . SER   A 134 ? 0.10513703 0.23038246 0.36458787 0.01187378  0.02634826  -0.03325273 246 SER   A C    
2200 O  O    . SER   A 134 ? 0.08903976 0.23733027 0.37259614 0.00822096  0.02099618  -0.02750647 246 SER   A O    
2201 C  CB   . SER   A 134 ? 0.14815806 0.30637747 0.37461215 0.00067829  -0.00597767 -0.02150150 246 SER   A CB   
2202 O  OG   . SER   A 134 ? 0.18368210 0.35350743 0.39082527 0.00418854  0.00258464  -0.02806483 246 SER   A OG   
2203 H  H    . SER   A 134 ? 0.08331431 0.26774180 0.33241764 0.01802631  0.02526825  -0.03078921 246 SER   A H    
2204 H  HA   . SER   A 134 ? 0.09726185 0.26261333 0.34936082 0.01087127  0.01917928  -0.03120356 246 SER   A HA   
2205 H  HB2  . SER   A 134 ? 0.13760920 0.30517003 0.37013927 0.00345467  0.00255416  -0.02561042 246 SER   A HB2  
2206 H  HB3  . SER   A 134 ? 0.14064156 0.30352598 0.37010914 0.00623055  0.00197571  -0.02627463 246 SER   A HB3  
2207 H  HG   . SER   A 134 ? 0.33686757 0.33686757 0.33686757 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2208 N  N    . TYR   A 135 ? 0.10551239 0.22931439 0.38161239 0.01492240  0.00465116  -0.03507186 247 TYR   A N    
2209 C  CA   . TYR   A 135 ? 0.11166503 0.22252204 0.39648622 0.02402329  0.00990826  -0.03688698 247 TYR   A CA   
2210 C  C    . TYR   A 135 ? 0.10541148 0.24039516 0.39229351 0.04273304  0.00103485  -0.03433955 247 TYR   A C    
2211 O  O    . TYR   A 135 ? 0.10156292 0.25985783 0.42167431 0.05186057  0.00419105  -0.04467715 247 TYR   A O    
2212 C  CB   . TYR   A 135 ? 0.16027573 0.23455071 0.41829282 0.03507764  -0.02278603 -0.03575616 247 TYR   A CB   
2213 C  CG   . TYR   A 135 ? 0.16047916 0.26249582 0.43147838 0.05399429  -0.05908422 -0.06759281 247 TYR   A CG   
2214 C  CD1  . TYR   A 135 ? 0.16859388 0.28112736 0.45186368 0.07321370  -0.07431170 -0.08233228 247 TYR   A CD1  
2215 C  CD2  . TYR   A 135 ? 0.18745700 0.26437110 0.43045148 0.07313906  -0.06402235 -0.07851571 247 TYR   A CD2  
2216 C  CE1  . TYR   A 135 ? 0.21092454 0.29766679 0.44219330 0.08522327  -0.09407051 -0.09681284 247 TYR   A CE1  
2217 C  CE2  . TYR   A 135 ? 0.21571085 0.31300581 0.43318075 0.07717396  -0.07113958 -0.08863179 247 TYR   A CE2  
2218 C  CZ   . TYR   A 135 ? 0.25564721 0.31210381 0.44466773 0.07880395  -0.08251612 -0.10420822 247 TYR   A CZ   
2219 O  OH   . TYR   A 135 ? 0.28861046 0.42198706 0.48918253 0.12994778  -0.06744668 -0.11926585 247 TYR   A OH   
2220 H  H    . TYR   A 135 ? 0.10898318 0.22965157 0.38069347 0.01526812  0.01026646  -0.03455463 247 TYR   A H    
2221 H  HA   . TYR   A 135 ? 0.11546916 0.22843710 0.39330614 0.02849479  0.00381103  -0.03688776 247 TYR   A HA   
2222 H  HB2  . TYR   A 135 ? 0.14820945 0.23803692 0.41546583 0.03698516  -0.02221196 -0.04272156 247 TYR   A HB2  
2223 H  HB3  . TYR   A 135 ? 0.14788671 0.23718946 0.41562188 0.03684202  -0.02238128 -0.04265737 247 TYR   A HB3  
2224 H  HD1  . TYR   A 135 ? 0.17644423 0.28092402 0.44507098 0.07136674  -0.07451483 -0.08247270 247 TYR   A HD1  
2225 H  HD2  . TYR   A 135 ? 0.18681742 0.26649451 0.43077120 0.07070799  -0.06414101 -0.07870147 247 TYR   A HD2  
2226 H  HE1  . TYR   A 135 ? 0.20950188 0.29588163 0.44504157 0.08093852  -0.08593358 -0.09457229 247 TYR   A HE1  
2227 H  HE2  . TYR   A 135 ? 0.21652138 0.30070379 0.43599120 0.07685497  -0.07197870 -0.08999939 247 TYR   A HE2  
2228 H  HH   . TYR   A 135 ? 0.47016826 0.47016826 0.47016826 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2229 N  N    . THR   A 136 ? 0.14794946 0.23784378 0.38966912 0.03800312  0.00519459  -0.01229532 248 THR   A N    
2230 C  CA   . THR   A 136 ? 0.16416557 0.25066388 0.39331675 0.05281647  -0.00848274 -0.00133260 248 THR   A CA   
2231 C  C    . THR   A 136 ? 0.15252303 0.23740391 0.38574672 0.05228803  0.01047782  0.00177062  248 THR   A C    
2232 O  O    . THR   A 136 ? 0.12358687 0.24231558 0.45663318 0.04112149  0.01666631  -0.02354516 248 THR   A O    
2233 C  CB   . THR   A 136 ? 0.23943765 0.30852735 0.40450731 0.03183599  -0.03009735 -0.00447028 248 THR   A CB   
2234 O  OG1  . THR   A 136 ? 0.33150163 0.33636168 0.48479700 0.01955087  -0.05323053 0.01937027  248 THR   A OG1  
2235 C  CG2  . THR   A 136 ? 0.24744244 0.34908393 0.38675362 0.03569943  -0.04529557 -0.01001950 248 THR   A CG2  
2236 H  H    . THR   A 136 ? 0.14573488 0.24198104 0.39135143 0.03967690  0.00035186  -0.01518511 248 THR   A H    
2237 H  HA   . THR   A 136 ? 0.16802043 0.25367674 0.39242104 0.04698737  -0.00454539 -0.00429420 248 THR   A HA   
2238 H  HB   . THR   A 136 ? 0.23647691 0.30669203 0.41024107 0.03505396  -0.03151273 -0.00064787 248 THR   A HB   
2239 H  HG1  . THR   A 136 ? 0.45676851 0.45676851 0.45676851 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2240 H  HG21 . THR   A 136 ? 0.24485491 0.33802557 0.38841811 0.03456808  -0.04202370 -0.00897038 248 THR   A HG21 
2241 H  HG22 . THR   A 136 ? 0.24723455 0.33883977 0.39138407 0.03652679  -0.04053915 -0.00875298 248 THR   A HG22 
2242 H  HG23 . THR   A 136 ? 0.24518281 0.34096822 0.39193147 0.03310189  -0.03999284 -0.01010385 248 THR   A HG23 
2243 N  N    . MET   A 137 ? 0.18745796 0.24843720 0.38376477 0.03084889  0.02171904  0.00884480  249 MET   A N    
2244 C  CA   . MET   A 137 ? 0.19067608 0.27028534 0.37019110 0.02582217  0.02470432  0.02230776  249 MET   A CA   
2245 C  C    . MET   A 137 ? 0.26246151 0.32797402 0.36845204 0.01315515  0.01068050  0.03122570  249 MET   A C    
2246 O  O    . MET   A 137 ? 0.26143411 0.40840840 0.38618308 0.01460322  0.00163146  0.06103548  249 MET   A O    
2247 C  CB   . MET   A 137 ? 0.20919558 0.28523844 0.37873772 0.05923834  0.01747059  0.01012460  249 MET   A CB   
2248 C  CG   . MET   A 137 ? 0.25457951 0.31513733 0.39347064 0.07955071  0.00981131  -0.00516630 249 MET   A CG   
2249 S  SD   . MET   A 137 ? 0.30836535 0.36992735 0.39030591 0.12198772  -0.00888614 -0.02050918 249 MET   A SD   
2250 C  CE   . MET   A 137 ? 0.33538809 0.34222031 0.40763551 0.10906742  0.00145398  0.00174288  249 MET   A CE   
2251 H  H    . MET   A 137 ? 0.18562016 0.25170925 0.38152197 0.03217191  0.02001498  0.00968838  249 MET   A H    
2252 H  HA   . MET   A 137 ? 0.20174600 0.27650028 0.37361732 0.03200169  0.01924671  0.01938567  249 MET   A HA   
2253 H  HB2  . MET   A 137 ? 0.21100760 0.28610373 0.37868816 0.05707437  0.01633397  0.01087827  249 MET   A HB2  
2254 H  HB3  . MET   A 137 ? 0.21290484 0.28702918 0.37931162 0.05577838  0.01741210  0.01012276  249 MET   A HB3  
2255 H  HG2  . MET   A 137 ? 0.25055259 0.31518742 0.38889581 0.08157340  0.00869482  -0.00367865 249 MET   A HG2  
2256 H  HG3  . MET   A 137 ? 0.25044289 0.31544191 0.38894111 0.08146831  0.00866457  -0.00366038 249 MET   A HG3  
2257 H  HE1  . MET   A 137 ? 0.32972383 0.35018671 0.40424874 0.11142386  0.00000333  -0.00455908 249 MET   A HE1  
2258 H  HE2  . MET   A 137 ? 0.32874572 0.34974736 0.40346649 0.11208657  -0.00087272 -0.00396994 249 MET   A HE2  
2259 H  HE3  . MET   A 137 ? 0.32880980 0.35024688 0.40359274 0.11189950  -0.00096655 -0.00371883 249 MET   A HE3  
2260 N  N    . ILE   A 138 ? 0.28483078 0.32578501 0.35419375 -0.00749162 0.03245540  0.03440529  250 ILE   A N    
2261 C  CA   . ILE   A 138 ? 0.33953145 0.37828302 0.34419158 -0.02093864 0.02719954  0.02642507  250 ILE   A CA   
2262 C  C    . ILE   A 138 ? 0.36542612 0.40691879 0.37027475 -0.05573803 0.02687339  0.03286827  250 ILE   A C    
2263 O  O    . ILE   A 138 ? 0.40956086 0.45973995 0.39339772 -0.11866760 0.01851603  0.05568613  250 ILE   A O    
2264 C  CB   . ILE   A 138 ? 0.41724896 0.40279955 0.35966322 -0.00301482 0.04692763  0.00008348  250 ILE   A CB   
2265 C  CG1  . ILE   A 138 ? 0.42581829 0.43063369 0.34618476 -0.00011047 0.04990792  0.00667806  250 ILE   A CG1  
2266 C  CG2  . ILE   A 138 ? 0.46787363 0.41922045 0.37876821 -0.00946406 0.05955350  0.00686262  250 ILE   A CG2  
2267 C  CD1  . ILE   A 138 ? 0.46756920 0.42844492 0.35638499 0.01786564  0.03798573  -0.00948077 250 ILE   A CD1  
2268 O  OXT  . ILE   A 138 ? 0.33114201 0.42550007 0.36497244 -0.06027962 0.03433630  0.04265045  250 ILE   A OXT  
2269 H  H    . ILE   A 138 ? 0.29049221 0.33681867 0.35622260 -0.00477576 0.02653936  0.03132729  250 ILE   A H    
2270 H  HA   . ILE   A 138 ? 0.33956367 0.37492645 0.35209596 -0.02117601 0.02921611  0.02475780  250 ILE   A HA   
2271 H  HB   . ILE   A 138 ? 0.40956596 0.40506133 0.36002228 -0.00708084 0.04545923  0.00761270  250 ILE   A HB   
2272 H  HG12 . ILE   A 138 ? 0.42773151 0.42127061 0.34757525 0.00292289  0.04607303  0.00350001  250 ILE   A HG12 
2273 H  HG13 . ILE   A 138 ? 0.43090463 0.42688042 0.35111567 0.00289500  0.04635520  0.00254983  250 ILE   A HG13 
2274 H  HG21 . ILE   A 138 ? 0.45651308 0.41649112 0.37446502 -0.00964120 0.05445510  0.00633105  250 ILE   A HG21 
2275 H  HG22 . ILE   A 138 ? 0.45259243 0.41411644 0.37586257 -0.00753467 0.05561596  0.00510721  250 ILE   A HG22 
2276 H  HG23 . ILE   A 138 ? 0.45803908 0.41482982 0.37540996 -0.00654166 0.05856687  0.00594069  250 ILE   A HG23 
2277 H  HD11 . ILE   A 138 ? 0.45542404 0.42962497 0.35696438 0.01264083  0.04201432  -0.00554663 250 ILE   A HD11 
2278 H  HD12 . ILE   A 138 ? 0.45747811 0.42956501 0.35503724 0.01333251  0.04327495  -0.00419179 250 ILE   A HD12 
2279 H  HD13 . ILE   A 138 ? 0.45550606 0.42909527 0.35457280 0.01242777  0.04219326  -0.00453540 250 ILE   A HD13 
2280 N  N1   . A1H2R B .   ? 0.21728462 0.33776093 0.36776963 0.03300466  -0.04072115 0.04698215  301 A1H2R A N1   
2281 N  N3   . A1H2R B .   ? 0.22680865 0.33994430 0.32624689 0.02470072  -0.02218481 0.02380580  301 A1H2R A N3   
2282 C  C4   . A1H2R B .   ? 0.17496176 0.26182148 0.29857594 0.02703288  -0.01792178 0.02292913  301 A1H2R A C4   
2283 C  C5   . A1H2R B .   ? 0.18508682 0.29853791 0.31823355 0.04042802  -0.02982599 0.02783072  301 A1H2R A C5   
2284 C  C6   . A1H2R B .   ? 0.20186123 0.34544161 0.32760489 0.03581189  -0.03333898 0.03607096  301 A1H2R A C6   
2285 C  C7   . A1H2R B .   ? 0.23502117 0.36135828 0.43649080 0.03177980  -0.02583282 0.07070775  301 A1H2R A C7   
2286 C  C8   . A1H2R B .   ? 0.26298955 0.35975975 0.48214865 0.05688855  -0.04835738 0.06690364  301 A1H2R A C8   
2287 C  C10  . A1H2R B .   ? 0.27497664 0.35541481 0.46285936 0.05555049  -0.02425409 0.06241991  301 A1H2R A C10  
2288 C  C13  . A1H2R B .   ? 0.13554282 0.22319070 0.25356370 0.01557225  0.00142507  -0.00108172 301 A1H2R A C13  
2289 C  C15  . A1H2R B .   ? 0.17239830 0.26271039 0.30390054 -0.00761916 0.02043419  -0.00959257 301 A1H2R A C15  
2290 C  C17  . A1H2R B .   ? 0.15473792 0.28452954 0.36716294 -0.01817374 0.01921871  -0.00689725 301 A1H2R A C17  
2291 C  C20  . A1H2R B .   ? 0.23349246 0.25479677 0.35946938 -0.00295217 -0.00970033 -0.01706482 301 A1H2R A C20  
2292 C  C21  . A1H2R B .   ? 0.19727525 0.22934578 0.33975947 -0.00383589 0.01524177  -0.00733042 301 A1H2R A C21  
2293 C  C22  . A1H2R B .   ? 0.16848679 0.24449542 0.26879638 -0.01303854 0.01128809  -0.00622201 301 A1H2R A C22  
2294 C  C1   . A1H2R B .   ? 0.22322510 0.29135597 0.36094669 -0.01082359 0.01843058  0.03400654  301 A1H2R A C1   
2295 O  O1   . A1H2R B .   ? 0.19330035 0.28417948 0.31090200 0.00197211  0.00742153  0.03280862  301 A1H2R A O1   
2296 C  C2   . A1H2R B .   ? 0.14951226 0.24325207 0.28180110 0.00801670  -0.00808587 0.01223521  301 A1H2R A C2   
2297 C  C3   . A1H2R B .   ? 0.15847518 0.24944694 0.30262133 0.01850764  -0.02069234 0.01264914  301 A1H2R A C3   
2298 O  O2   . A1H2R B .   ? 0.29512882 0.39015585 0.50864595 0.02704882  -0.06832452 0.05970410  301 A1H2R A O2   
2299 C  C9   . A1H2R B .   ? 0.30810323 0.34664792 0.51675534 0.03443676  -0.03856700 0.05771047  301 A1H2R A C9   
2300 F  F1   . A1H2R B .   ? 0.23959026 0.38122153 0.49569821 0.03751776  0.03912041  0.04669620  301 A1H2R A F1   
2301 N  N2   . A1H2R B .   ? 0.22422804 0.34558606 0.36704394 0.02113467  -0.03406910 0.03025106  301 A1H2R A N2   
2302 O  O3   . A1H2R B .   ? 0.14733124 0.23820390 0.28492394 0.01444560  -0.01597027 0.00248202  301 A1H2R A O3   
2303 C  C11  . A1H2R B .   ? 0.13246888 0.23863192 0.26885426 0.01674910  -0.00386627 -0.00699643 301 A1H2R A C11  
2304 C  C12  . A1H2R B .   ? 0.09346476 0.24040392 0.27349028 0.01429223  -0.00924219 -0.00695987 301 A1H2R A C12  
2305 O  O4   . A1H2R B .   ? 0.07514256 0.24033180 0.29905561 0.01332072  0.01344004  -0.01367177 301 A1H2R A O4   
2306 O  O5   . A1H2R B .   ? 0.11731983 0.21899463 0.24873671 0.02611323  -0.00073729 -0.00252848 301 A1H2R A O5   
2307 C  C14  . A1H2R B .   ? 0.14896923 0.24319737 0.25663909 0.00374273  0.00546358  0.00488233  301 A1H2R A C14  
2308 N  N4   . A1H2R B .   ? 0.15467668 0.24223870 0.25868440 -0.01109627 0.01776958  -0.00728786 301 A1H2R A N4   
2309 N  N5   . A1H2R B .   ? 0.16477208 0.28956696 0.28124106 -0.03030225 0.03412852  0.00396708  301 A1H2R A N5   
2310 N  N6   . A1H2R B .   ? 0.16328338 0.26922429 0.31158093 -0.01780170 0.03227133  -0.00659712 301 A1H2R A N6   
2311 C  C16  . A1H2R B .   ? 0.18883704 0.26390550 0.33705145 -0.01778756 0.02041926  -0.01366971 301 A1H2R A C16  
2312 C  C18  . A1H2R B .   ? 0.20126341 0.28769138 0.37917471 -0.03959564 0.01233526  -0.02193114 301 A1H2R A C18  
2313 C  C19  . A1H2R B .   ? 0.24973108 0.28738454 0.39489168 -0.00851523 0.01046070  -0.00432913 301 A1H2R A C19  
2314 CL CL1  . A1H2R B .   ? 0.45034543 0.53488594 0.54200470 -0.02314059 -0.07193798 -0.02426208 301 A1H2R A CL1  
2315 F  F2   . A1H2R B .   ? 0.16006546 0.29074934 0.39008564 -0.00870271 -0.03502491 -0.00091069 301 A1H2R A F2   
2316 F  F3   . A1H2R B .   ? 0.21629518 0.28191996 0.32365379 0.00309439  0.01813731  -0.00170735 301 A1H2R A F3   
2317 H  H7   . A1H2R B .   ? 0.17258455 0.26359528 0.30216953 0.02698659  -0.02012642 0.02293309  301 A1H2R A H7   
2318 H  H6   . A1H2R B .   ? 0.17171013 0.26429421 0.30178940 0.02747429  -0.01990512 0.02109120  301 A1H2R A H6   
2319 H  H8   . A1H2R B .   ? 0.19936064 0.33013898 0.32970646 0.03575289  -0.03347842 0.03532939  301 A1H2R A H8   
2320 H  H9   . A1H2R B .   ? 0.24199519 0.35646388 0.43560284 0.04022771  -0.03264051 0.06611082  301 A1H2R A H9   
2321 H  H10  . A1H2R B .   ? 0.26052347 0.36584538 0.47592854 0.04660308  -0.04572139 0.06500887  301 A1H2R A H10  
2322 H  H11  . A1H2R B .   ? 0.26242244 0.36732224 0.47672236 0.04569250  -0.04761969 0.06427930  301 A1H2R A H11  
2323 H  H14  . A1H2R B .   ? 0.26664594 0.35997340 0.47287920 0.04435758  -0.01553890 0.06073778  301 A1H2R A H14  
2324 H  H19  . A1H2R B .   ? 0.13317373 0.22647767 0.25555539 0.01653030  0.00106112  -0.00174711 301 A1H2R A H19  
2325 H  H22  . A1H2R B .   ? 0.17327841 0.28035897 0.36442831 -0.02211375 0.01814003  -0.01146813 301 A1H2R A H22  
2326 H  H24  . A1H2R B .   ? 0.16729748 0.24812946 0.27310902 -0.01092873 0.01541825  -0.00678827 301 A1H2R A H24  
2327 H  H2   . A1H2R B .   ? 0.21578804 0.29039860 0.34711656 -0.00567209 0.01459203  0.03255660  301 A1H2R A H2   
2328 H  H3   . A1H2R B .   ? 0.21627256 0.28933579 0.35069346 -0.00582954 0.01777694  0.03443044  301 A1H2R A H3   
2329 H  H1   . A1H2R B .   ? 0.22045660 0.28919762 0.34540612 -0.00725662 0.01455065  0.03351977  301 A1H2R A H1   
2330 H  H4   . A1H2R B .   ? 0.15734418 0.25001490 0.28219089 0.00785401  -0.00522050 0.01365872  301 A1H2R A H4   
2331 H  H5   . A1H2R B .   ? 0.15774190 0.24891818 0.29490983 0.01665312  -0.01675050 0.01273103  301 A1H2R A H5   
2332 H  H12  . A1H2R B .   ? 0.29451233 0.35799986 0.50010908 0.03819944  -0.04077414 0.05861875  301 A1H2R A H12  
2333 H  H13  . A1H2R B .   ? 0.29962301 0.35889232 0.50335723 0.03882718  -0.04269524 0.05888176  301 A1H2R A H13  
2334 H  H15  . A1H2R B .   ? 0.12840156 0.23635909 0.26919892 0.01585398  -0.00620222 -0.00416010 301 A1H2R A H15  
2335 H  H16  . A1H2R B .   ? 0.09725974 0.23976718 0.27645969 0.01463024  -0.00301097 -0.00904730 301 A1H2R A H16  
2336 H  H17  . A1H2R B .   ? 0.09721231 0.24013318 0.27796668 0.01458108  -0.00289979 -0.00856251 301 A1H2R A H17  
2337 H  H18  . A1H2R B .   ? 0.21053272 0.21053272 0.21053272 0.00000000  0.00000000  0.00000000  301 A1H2R A H18  
2338 H  H20  . A1H2R B .   ? 0.19896947 0.19896947 0.19896947 0.00000000  0.00000000  0.00000000  301 A1H2R A H20  
2339 H  H21  . A1H2R B .   ? 0.14777312 0.23948984 0.26040420 0.00411586  0.00430762  0.00276679  301 A1H2R A H21  
2340 H  H23  . A1H2R B .   ? 0.19926628 0.28692314 0.37874818 -0.02777842 0.01344705  -0.01459895 301 A1H2R A H23  
2341 S  S    . SCN   C .   ? 0.29676390 0.32171828 0.36622930 0.01671087  0.09048396  0.04632113  302 SCN   A S    
2342 C  C    . SCN   C .   ? 0.30061781 0.29256073 0.34417954 -0.00478421 0.04985257  0.05440105  302 SCN   A C    
2343 N  N    . SCN   C .   ? 0.29203817 0.28358212 0.33590442 -0.01983651 0.03608901  0.06244321  302 SCN   A N    
2344 O  O    . HOH   D .   ? 0.45057443 0.48075664 0.37619007 0.02237522  0.01057357  -0.13571239 401 HOH   A O    
2345 O  O    . HOH   D .   ? 0.33486602 0.65724605 0.57786846 -0.01152155 0.13317850  -0.18291509 402 HOH   A O    
2346 O  O    . HOH   D .   ? 0.31904846 0.81807667 0.48684365 -0.02478915 0.03058207  -0.01729240 403 HOH   A O    
2347 O  O    . HOH   D .   ? 0.55065829 0.38066265 0.45731038 0.03923622  0.05266680  -0.10901528 404 HOH   A O    
2348 O  O    . HOH   D .   ? 0.24652937 0.36917362 0.32316488 0.02448968  0.02876294  -0.07062890 405 HOH   A O    
2349 O  O    . HOH   D .   ? 0.16155161 0.26810139 0.34847197 0.00452357  0.01471925  -0.01867737 406 HOH   A O    
2350 O  O    . HOH   D .   ? 0.20107326 0.51157260 0.72484452 0.06849623  0.04460996  -0.10675450 407 HOH   A O    
2351 O  O    . HOH   D .   ? 0.52533096 0.31587785 0.40453714 -0.00103813 0.06944312  0.00336653  408 HOH   A O    
2352 O  O    . HOH   D .   ? 0.27623656 0.38816679 0.33933336 0.02739851  0.03203912  -0.04411688 409 HOH   A O    
2353 O  O    . HOH   D .   ? 0.25630891 0.54700333 0.36785370 -0.04645405 0.07227074  0.00085356  410 HOH   A O    
2354 O  O    . HOH   D .   ? 0.51848143 0.56369954 0.39155418 0.15031175  0.06273007  0.06437932  411 HOH   A O    
2355 O  O    . HOH   D .   ? 0.45260507 0.44648531 0.47949573 -0.19934863 0.15245953  -0.07239549 412 HOH   A O    
2356 O  O    . HOH   D .   ? 0.17401589 0.31065470 0.32841116 0.02378332  -0.03385324 -0.01198661 413 HOH   A O    
2357 O  O    . HOH   D .   ? 0.21637863 0.41583163 0.47561803 -0.07116980 0.01078363  0.06011939  414 HOH   A O    
2358 O  O    . HOH   D .   ? 0.22793472 0.54999942 0.40257505 -0.08774024 0.01994392  -0.02101657 415 HOH   A O    
2359 O  O    . HOH   D .   ? 0.15222932 0.23303619 0.28808671 -0.01961492 0.03249598  0.00724234  416 HOH   A O    
2360 O  O    . HOH   D .   ? 0.27670631 0.43631878 0.35642618 -0.08589030 -0.06113895 -0.02109502 417 HOH   A O    
2361 O  O    . HOH   D .   ? 0.20779359 0.24133284 0.49564871 0.02459459  -0.06436616 -0.02972158 418 HOH   A O    
2362 O  O    . HOH   D .   ? 0.52692401 0.54637992 0.51033843 -0.20981920 0.16852230  -0.24028865 419 HOH   A O    
2363 O  O    . HOH   D .   ? 0.12329127 0.30211830 0.35155389 0.00450490  0.02350841  -0.00195243 420 HOH   A O    
2364 O  O    . HOH   D .   ? 0.17553741 0.36124179 0.30909270 0.01867938  -0.00831507 -0.02291320 421 HOH   A O    
2365 O  O    . HOH   D .   ? 0.51043129 0.46253774 0.41304624 -0.02450730 0.04234661  0.05072258  422 HOH   A O    
2366 O  O    . HOH   D .   ? 0.11505136 0.31605539 0.39734155 0.00869967  -0.01914955 0.01770012  423 HOH   A O    
2367 O  O    . HOH   D .   ? 0.39274281 0.77175081 0.41749504 0.02101661  0.02701750  0.03098138  424 HOH   A O    
2368 O  O    . HOH   D .   ? 0.17622842 0.45818254 0.34631369 0.06730150  0.03050855  0.12155722  425 HOH   A O    
2369 O  O    . HOH   D .   ? 0.49283880 0.42331368 0.37972778 -0.06639293 0.01690935  -0.02854414 426 HOH   A O    
2370 O  O    . HOH   D .   ? 0.56655961 0.65722430 0.36252427 0.09693706  -0.00947195 -0.01926093 427 HOH   A O    
2371 O  O    . HOH   D .   ? 0.27377504 0.34571970 0.84805542 -0.02955548 -0.19663197 0.01525590  428 HOH   A O    
2372 O  O    . HOH   D .   ? 0.58645201 0.41671711 0.58172083 -0.03519681 -0.06557852 0.07482722  429 HOH   A O    
2373 O  O    . HOH   D .   ? 0.05063798 0.23059376 0.29451925 -0.00833705 -0.00618414 0.01284527  430 HOH   A O    
2374 O  O    . HOH   D .   ? 0.29544377 0.35514885 0.37692741 0.05807132  -0.02208021 -0.00093611 431 HOH   A O    
2375 O  O    . HOH   D .   ? 0.40017778 0.47127625 0.75441724 -0.03963262 0.25099182  0.06320542  432 HOH   A O    
2376 O  O    . HOH   D .   ? 0.29034188 0.57028639 0.39803964 0.05111093  -0.05360858 0.09714604  433 HOH   A O    
2377 O  O    . HOH   D .   ? 0.19954915 0.32747012 0.34730488 0.06894200  -0.01530325 -0.01497376 434 HOH   A O    
2378 O  O    . HOH   D .   ? 0.21175779 0.43521836 0.35507220 0.09189034  0.07571373  -0.02177428 435 HOH   A O    
2379 O  O    . HOH   D .   ? 0.20111440 0.29817027 0.28309387 -0.03223589 -0.00885681 0.01196381  436 HOH   A O    
2380 O  O    . HOH   D .   ? 0.23544395 0.26843941 0.41732556 -0.04982743 -0.02002911 -0.02285049 437 HOH   A O    
2381 O  O    . HOH   D .   ? 0.17238384 0.27788919 0.31440830 0.03427828  -0.02756826 0.02615952  438 HOH   A O    
2382 O  O    . HOH   D .   ? 0.19986936 0.32592919 0.68121809 0.10603677  0.09547563  -0.01253879 439 HOH   A O    
2383 O  O    . HOH   D .   ? 0.15691504 0.44686154 0.40237099 -0.03348991 0.03116417  -0.04651907 440 HOH   A O    
2384 O  O    . HOH   D .   ? 0.13621458 0.68219423 0.48370641 -0.04498377 0.00070784  0.08863726  441 HOH   A O    
2385 O  O    . HOH   D .   ? 0.10650031 0.30661741 0.25893155 0.04484490  -0.00868561 0.01702370  442 HOH   A O    
2386 O  O    . HOH   D .   ? 0.20252985 0.43729803 0.38552105 0.05065759  -0.00213904 -0.06402987 443 HOH   A O    
2387 O  O    . HOH   D .   ? 0.18315755 0.48435909 0.37696946 0.00758277  0.03319178  -0.04160072 444 HOH   A O    
2388 O  O    . HOH   D .   ? 0.38360751 0.73111957 0.38092557 -0.03241103 -0.05423632 0.14729905  445 HOH   A O    
2389 O  O    . HOH   D .   ? 0.24933816 0.47197577 0.47433147 -0.04961229 -0.06048825 0.05965027  446 HOH   A O    
2390 O  O    . HOH   D .   ? 0.29230005 0.59690154 0.42852351 0.05053993  0.01174234  -0.06173800 447 HOH   A O    
2391 O  O    . HOH   D .   ? 0.08633455 0.21917759 0.26086718 -0.00952107 0.01186938  0.00518640  448 HOH   A O    
2392 O  O    . HOH   D .   ? 0.20340048 0.56917471 0.79265440 0.07408362  -0.01773127 -0.05520494 449 HOH   A O    
2393 O  O    . HOH   D .   ? 0.40730387 0.34986562 0.34222507 0.09715749  0.01070504  0.02484499  450 HOH   A O    
2394 O  O    . HOH   D .   ? 0.25163570 0.72712147 0.65602756 0.01340627  -0.07170815 -0.06756836 451 HOH   A O    
2395 O  O    . HOH   D .   ? 0.30668938 0.50793642 0.59682810 0.06738149  0.00543390  0.02914535  452 HOH   A O    
2396 O  O    . HOH   D .   ? 0.34369123 0.54185629 0.60609835 -0.08626822 0.23528579  -0.07741334 453 HOH   A O    
2397 O  O    . HOH   D .   ? 0.68085253 0.49186727 0.46991020 0.04332412  0.17453043  0.07372403  454 HOH   A O    
2398 O  O    . HOH   D .   ? 0.11127705 0.25372052 0.27388689 0.00651925  -0.02699322 -0.00906242 455 HOH   A O    
2399 O  O    . HOH   D .   ? 0.52374321 0.62109733 0.34828526 -0.14295825 0.11553738  -0.03514186 456 HOH   A O    
2400 O  O    . HOH   D .   ? 0.40820330 0.60515869 0.57503998 -0.10708220 0.05662271  -0.04039095 457 HOH   A O    
2401 O  O    . HOH   D .   ? 0.43283933 0.31850782 0.40756795 -0.12463739 -0.07382333 0.00688686  458 HOH   A O    
2402 O  O    . HOH   D .   ? 0.33036011 0.36067918 0.70363402 -0.03140558 0.25459942  -0.16632932 459 HOH   A O    
2403 O  O    . HOH   D .   ? 0.30880448 0.53354746 0.46885172 -0.16243818 0.05818515  0.04238699  460 HOH   A O    
2404 O  O    . HOH   D .   ? 0.49661642 0.40406814 0.39590603 0.11392197  -0.00214304 0.03342376  461 HOH   A O    
2405 O  O    . HOH   D .   ? 0.12826955 0.28418010 0.31940302 0.02842265  0.02102134  -0.01009464 462 HOH   A O    
2406 O  O    . HOH   D .   ? 0.36339122 0.60763878 0.47620580 0.22362347  0.06067005  0.08849278  463 HOH   A O    
2407 O  O    . HOH   D .   ? 0.08776513 0.37913260 0.38669011 0.01515529  -0.00239292 -0.05786547 464 HOH   A O    
2408 O  O    . HOH   D .   ? 0.56705225 0.35040534 0.46641785 0.10081892  0.14345367  0.08414659  465 HOH   A O    
2409 O  O    . HOH   D .   ? 0.35717022 0.46576890 0.55639166 -0.09138368 -0.12686116 -0.00305943 466 HOH   A O    
2410 O  O    . HOH   D .   ? 0.16726550 0.30253157 0.48774952 -0.01665418 0.07927051  -0.03098448 467 HOH   A O    
2411 O  O    . HOH   D .   ? 0.20215046 0.48167989 0.70179492 0.02484962  0.08969279  -0.09265579 468 HOH   A O    
2412 O  O    . HOH   D .   ? 0.18088517 0.29745531 0.42410296 0.00398447  -0.04890161 -0.05290498 469 HOH   A O    
2413 O  O    . HOH   D .   ? 0.16960423 0.39328015 0.33564204 -0.09073685 0.00170317  -0.07345428 470 HOH   A O    
2414 O  O    . HOH   D .   ? 0.25168580 0.70948219 0.39030296 -0.11731191 0.09268121  -0.18048361 471 HOH   A O    
2415 O  O    . HOH   D .   ? 0.51063651 0.51772904 0.52974391 -0.22080100 0.15108234  -0.01536055 472 HOH   A O    
2416 O  O    . HOH   D .   ? 0.32549542 0.37780544 0.28578264 0.10836373  0.00927237  -0.02225421 473 HOH   A O    
2417 O  O    . HOH   D .   ? 0.18899801 0.35271630 0.40779504 -0.03954967 -0.07161006 -0.02502244 474 HOH   A O    
2418 O  O    . HOH   D .   ? 0.36362606 0.53178209 0.53495479 0.01115651  0.13095483  0.07249628  475 HOH   A O    
2419 O  O    . HOH   D .   ? 0.27965006 0.34684980 0.40888977 0.00508783  0.06284820  -0.08136806 476 HOH   A O    
2420 O  O    . HOH   D .   ? 0.35075340 0.52007586 0.53469396 0.03434851  0.05272976  -0.04155481 477 HOH   A O    
2421 O  O    . HOH   D .   ? 0.34976587 0.94750553 0.50437742 0.27291468  0.06529330  0.03830616  478 HOH   A O    
2422 O  O    . HOH   D .   ? 0.30198699 0.44453683 0.62405241 -0.10280750 -0.18308310 0.01535021  479 HOH   A O    
2423 O  O    . HOH   D .   ? 0.24244742 0.63810319 0.48977864 0.03637091  0.00345116  0.07594553  480 HOH   A O    
2424 O  O    . HOH   D .   ? 0.37044287 0.28081352 0.35919780 -0.02437665 0.02594870  -0.01663638 481 HOH   A O    
2425 O  O    . HOH   D .   ? 0.14550018 0.45443180 0.42640632 0.03229684  0.05846287  -0.10199703 482 HOH   A O    
2426 O  O    . HOH   D .   ? 0.49856615 0.55823922 0.81252730 0.07154398  0.31496364  0.00791378  483 HOH   A O    
2427 O  O    . HOH   D .   ? 0.18677123 1.08972824 0.73701894 0.35368741  -0.17056438 0.04805418  484 HOH   A O    
2428 O  O    . HOH   D .   ? 0.13928293 0.29412654 0.24635066 0.08475950  -0.00145207 0.01296584  485 HOH   A O    
2429 O  O    . HOH   D .   ? 0.24768114 0.46567950 0.66194785 0.00482670  0.10848328  0.05015379  486 HOH   A O    
2430 O  O    . HOH   D .   ? 0.15477771 0.45000586 0.38018507 -0.03421573 -0.02875433 0.07675010  487 HOH   A O    
2431 O  O    . HOH   D .   ? 0.55707473 0.63196850 0.46900642 0.12992147  0.14778849  0.10969043  488 HOH   A O    
2432 O  O    . HOH   D .   ? 0.74550635 0.56191874 0.59902239 -0.03271614 -0.14428960 -0.06701512 489 HOH   A O    
2433 O  O    . HOH   D .   ? 0.36290735 0.73632437 0.82863140 -0.04021882 -0.18488154 0.22806324  490 HOH   A O    
2434 O  O    . HOH   D .   ? 0.38641632 0.69771194 0.49481106 -0.12034136 0.05610659  -0.19320722 491 HOH   A O    
2435 O  O    . HOH   D .   ? 0.16432922 0.36801535 0.33806962 -0.01047538 0.04064027  -0.03357786 492 HOH   A O    
2436 O  O    . HOH   D .   ? 0.26407394 0.41482368 0.56187683 0.00253873  0.10162440  -0.09265735 493 HOH   A O    
2437 O  O    . HOH   D .   ? 0.41872174 0.57899648 0.71028775 0.03221674  0.05533582  0.10200681  494 HOH   A O    
2438 O  O    . HOH   D .   ? 0.22710280 0.56155664 0.50778615 0.12851642  -0.02899373 -0.10488173 495 HOH   A O    
2439 O  O    . HOH   D .   ? 1.15192139 0.45754483 0.53712708 0.20759703  -0.00516152 -0.01091346 496 HOH   A O    
2440 O  O    . HOH   D .   ? 0.29415467 0.40029812 0.27670920 -0.03709891 0.00954161  0.01391657  497 HOH   A O    
2441 O  O    . HOH   D .   ? 0.24245390 0.45107061 0.64740151 -0.08975868 0.01064435  -0.13830295 498 HOH   A O    
2442 O  O    . HOH   D .   ? 0.06838720 0.23994398 0.25122052 0.01299403  0.00195745  -0.01060104 499 HOH   A O    
2443 O  O    . HOH   D .   ? 0.43345958 0.43231499 0.41707638 -0.11171684 0.03757662  -0.03391140 500 HOH   A O    
2444 O  O    . HOH   D .   ? 0.50996912 0.28093046 0.61409199 -0.02134670 0.17214806  -0.06230240 501 HOH   A O    
2445 O  O    . HOH   D .   ? 0.40058357 0.38679838 0.60140330 0.07514735  -0.27157146 -0.07877557 502 HOH   A O    
2446 O  O    . HOH   D .   ? 0.17957869 0.36986187 0.51917249 -0.01130856 -0.00855121 -0.01324046 503 HOH   A O    
2447 O  O    . HOH   D .   ? 0.26993099 0.44530532 0.31973305 -0.13859594 0.01092568  -0.00210596 504 HOH   A O    
2448 O  O    . HOH   D .   ? 0.39162683 0.76599216 0.68455219 -0.07171523 0.16291025  0.11970344  505 HOH   A O    
2449 O  O    . HOH   D .   ? 0.42788509 0.83247024 0.74386996 -0.01261187 0.17233749  -0.09434870 506 HOH   A O    
2450 O  O    . HOH   D .   ? 0.24181065 0.41377413 0.36923710 0.05319029  0.01914299  -0.01786770 507 HOH   A O    
2451 O  O    . HOH   D .   ? 0.22897124 0.31070659 0.45634294 -0.02823999 -0.07218560 -0.06875253 508 HOH   A O    
2452 O  O    . HOH   D .   ? 0.23129193 0.32876691 0.87718576 -0.00589020 0.17854922  -0.05319128 509 HOH   A O    
2453 O  O    . HOH   D .   ? 0.37527213 0.55696845 0.51220930 0.08694818  -0.04807217 0.09217691  510 HOH   A O    
# 
