data_8RRG
# 
_entry.id   8RRG 
# 
_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   8RRG         pdb_00008rrg 10.2210/pdb8rrg/pdb 
WWPDB D_1292136031 ?            ?                   
# 
_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                        8RRG 
_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})-6-[[1-[3-[bis(fluoranyl)methyl]oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
562.902   1  ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    1  ? ? ? ? 
4 non-polymer syn 'CHLORIDE ION' 35.453    1  ? ? ? ? 
5 water       nat water 18.015    80 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[1-[3-[bis(fluoranyl)methyl]oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
A1H2L 
3 'THIOCYANATE ION' SCN   
4 'CHLORIDE ION' CL    
5 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 
A1H2L non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[1-[3-[bis(fluoranyl)methyl]oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
? 'C22 H23 Cl F4 N6 O5' 562.902 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'          89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'      175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'         132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'          133.103 
CL    non-polymer         . 'CHLORIDE ION' ? 'Cl -1'               35.453  
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'        121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'        146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'          147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'          75.067  
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        A1H2L 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2L 
_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 A1H2L 1  301 301 A1H2L LIG A . 
C 3 SCN   1  302 402 SCN   SCN A . 
D 4 CL    1  303 1   CL    CL  A . 
E 5 HOH   1  401 23  HOH   HOH A . 
E 5 HOH   2  402 54  HOH   HOH A . 
E 5 HOH   3  403 78  HOH   HOH A . 
E 5 HOH   4  404 15  HOH   HOH A . 
E 5 HOH   5  405 26  HOH   HOH A . 
E 5 HOH   6  406 32  HOH   HOH A . 
E 5 HOH   7  407 66  HOH   HOH A . 
E 5 HOH   8  408 11  HOH   HOH A . 
E 5 HOH   9  409 81  HOH   HOH A . 
E 5 HOH   10 410 49  HOH   HOH A . 
E 5 HOH   11 411 71  HOH   HOH A . 
E 5 HOH   12 412 50  HOH   HOH A . 
E 5 HOH   13 413 22  HOH   HOH A . 
E 5 HOH   14 414 30  HOH   HOH A . 
E 5 HOH   15 415 13  HOH   HOH A . 
E 5 HOH   16 416 24  HOH   HOH A . 
E 5 HOH   17 417 14  HOH   HOH A . 
E 5 HOH   18 418 4   HOH   HOH A . 
E 5 HOH   19 419 20  HOH   HOH A . 
E 5 HOH   20 420 27  HOH   HOH A . 
E 5 HOH   21 421 7   HOH   HOH A . 
E 5 HOH   22 422 79  HOH   HOH A . 
E 5 HOH   23 423 96  HOH   HOH A . 
E 5 HOH   24 424 9   HOH   HOH A . 
E 5 HOH   25 425 62  HOH   HOH A . 
E 5 HOH   26 426 46  HOH   HOH A . 
E 5 HOH   27 427 70  HOH   HOH A . 
E 5 HOH   28 428 10  HOH   HOH A . 
E 5 HOH   29 429 89  HOH   HOH A . 
E 5 HOH   30 430 60  HOH   HOH A . 
E 5 HOH   31 431 5   HOH   HOH A . 
E 5 HOH   32 432 6   HOH   HOH A . 
E 5 HOH   33 433 65  HOH   HOH A . 
E 5 HOH   34 434 75  HOH   HOH A . 
E 5 HOH   35 435 2   HOH   HOH A . 
E 5 HOH   36 436 58  HOH   HOH A . 
E 5 HOH   37 437 42  HOH   HOH A . 
E 5 HOH   38 438 48  HOH   HOH A . 
E 5 HOH   39 439 29  HOH   HOH A . 
E 5 HOH   40 440 19  HOH   HOH A . 
E 5 HOH   41 441 94  HOH   HOH A . 
E 5 HOH   42 442 82  HOH   HOH A . 
E 5 HOH   43 443 90  HOH   HOH A . 
E 5 HOH   44 444 51  HOH   HOH A . 
E 5 HOH   45 445 21  HOH   HOH A . 
E 5 HOH   46 446 55  HOH   HOH A . 
E 5 HOH   47 447 28  HOH   HOH A . 
E 5 HOH   48 448 36  HOH   HOH A . 
E 5 HOH   49 449 47  HOH   HOH A . 
E 5 HOH   50 450 61  HOH   HOH A . 
E 5 HOH   51 451 73  HOH   HOH A . 
E 5 HOH   52 452 1   HOH   HOH A . 
E 5 HOH   53 453 25  HOH   HOH A . 
E 5 HOH   54 454 12  HOH   HOH A . 
E 5 HOH   55 455 3   HOH   HOH A . 
E 5 HOH   56 456 91  HOH   HOH A . 
E 5 HOH   57 457 17  HOH   HOH A . 
E 5 HOH   58 458 16  HOH   HOH A . 
E 5 HOH   59 459 68  HOH   HOH A . 
E 5 HOH   60 460 31  HOH   HOH A . 
E 5 HOH   61 461 93  HOH   HOH A . 
E 5 HOH   62 462 34  HOH   HOH A . 
E 5 HOH   63 463 57  HOH   HOH A . 
E 5 HOH   64 464 69  HOH   HOH A . 
E 5 HOH   65 465 88  HOH   HOH A . 
E 5 HOH   66 466 44  HOH   HOH A . 
E 5 HOH   67 467 92  HOH   HOH A . 
E 5 HOH   68 468 80  HOH   HOH A . 
E 5 HOH   69 469 45  HOH   HOH A . 
E 5 HOH   70 470 37  HOH   HOH A . 
E 5 HOH   71 471 84  HOH   HOH A . 
E 5 HOH   72 472 72  HOH   HOH A . 
E 5 HOH   73 473 41  HOH   HOH A . 
E 5 HOH   74 474 86  HOH   HOH A . 
E 5 HOH   75 475 85  HOH   HOH A . 
E 5 HOH   76 476 95  HOH   HOH A . 
E 5 HOH   77 477 87  HOH   HOH A . 
E 5 HOH   78 478 33  HOH   HOH A . 
E 5 HOH   79 479 35  HOH   HOH A . 
E 5 HOH   80 480 39  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 ? CD ? A LYS 98  CD 
2 1 Y 1 A LYS 210 ? CE ? A LYS 98  CE 
3 1 Y 1 A LYS 210 ? NZ ? A LYS 98  NZ 
4 1 Y 1 A LYS 233 ? CE ? A LYS 121 CE 
5 1 Y 1 A LYS 233 ? NZ ? A LYS 121 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? 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                     8RRG 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.550 
_cell.length_a_esd                 ? 
_cell.length_b                     57.570 
_cell.length_b_esd                 ? 
_cell.length_c                     62.190 
_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                         8RRG 
_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                   8RRG 
_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             1.97 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.55 
_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         2022-12-30 
_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                                       8RRG 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.25 
_reflns.d_resolution_low                               42.25 
_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                                     66250 
_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                                3.38 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.79 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.086 
_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                                   0.997 
_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                                     1.32 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.57 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             10766 
_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                               2.48 
_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                                  0.171 
_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]                            2.009 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.598 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -2.607 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               19.456 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.969 
_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                                 8RRG 
_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                            1.400 
_refine.ls_d_res_low                             42.247 
_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                     25105 
_refine.ls_number_reflns_R_free                  1302 
_refine.ls_number_reflns_R_work                  23803 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.893 
_refine.ls_percent_reflns_R_free                 5.186 
_refine.ls_R_factor_all                          0.189 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2081 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1875 
_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                       0.084 
_refine.pdbx_overall_ESU_R_Free                  0.068 
_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                             3.126 
_refine.overall_SU_ML                            0.054 
_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        1103 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.number_atoms_solvent             80 
_refine_hist.number_atoms_total               1225 
_refine_hist.d_res_high                       1.400 
_refine_hist.d_res_low                        42.247 
# 
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' ? 0.004  0.012  1192 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1128 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.590  1.852  1626 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.461  1.761  2588 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.370  5.000  141  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 3.672  5.000  10   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.804 10.000 190  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.084 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.048  0.200  173  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.457  0.200  6    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  1410 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  288  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.190  0.200  149  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.184  0.200  954  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.163  0.200  541  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.078  0.200  572  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.094  0.200  50   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.156  0.200  10   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.149  0.200  61   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  10   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.891  1.957  559  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.886  1.953  558  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.052  3.510  698  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.052  3.512  699  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.218  2.123  633  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.213  2.120  633  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.580  3.847  925  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.574  3.841  925  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 7.364  22.008 1194 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.692  21.106 1182 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.067  3.000  2320 ? 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' 1.400 1.436  1835 . 88  1747 100.0000 . 0.268 . . 0.268 . . . . . 0.226 . 20 . 0.966 0.940 0.272 
'X-RAY DIFFRACTION' 1.436 1.476  1767 . 91  1674 99.8868  . 0.255 . . 0.251 . . . . . 0.211 . 20 . 0.969 0.920 0.334 
'X-RAY DIFFRACTION' 1.476 1.518  1743 . 106 1637 100.0000 . 0.234 . . 0.231 . . . . . 0.191 . 20 . 0.973 0.941 0.289 
'X-RAY DIFFRACTION' 1.518 1.565  1671 . 97  1574 100.0000 . 0.222 . . 0.221 . . . . . 0.182 . 20 . 0.977 0.957 0.244 
'X-RAY DIFFRACTION' 1.565 1.616  1619 . 95  1523 99.9382  . 0.218 . . 0.215 . . . . . 0.187 . 20 . 0.976 0.960 0.257 
'X-RAY DIFFRACTION' 1.616 1.673  1592 . 76  1516 100.0000 . 0.208 . . 0.207 . . . . . 0.177 . 20 . 0.977 0.977 0.225 
'X-RAY DIFFRACTION' 1.673 1.736  1540 . 75  1465 100.0000 . 0.191 . . 0.190 . . . . . 0.164 . 20 . 0.979 0.972 0.212 
'X-RAY DIFFRACTION' 1.736 1.807  1472 . 78  1393 99.9321  . 0.182 . . 0.181 . . . . . 0.160 . 20 . 0.981 0.975 0.212 
'X-RAY DIFFRACTION' 1.807 1.887  1413 . 64  1348 99.9292  . 0.183 . . 0.181 . . . . . 0.162 . 20 . 0.982 0.979 0.219 
'X-RAY DIFFRACTION' 1.887 1.979  1360 . 70  1290 100.0000 . 0.171 . . 0.170 . . . . . 0.162 . 20 . 0.984 0.979 0.193 
'X-RAY DIFFRACTION' 1.979 2.086  1289 . 70  1219 100.0000 . 0.176 . . 0.174 . . . . . 0.172 . 20 . 0.983 0.972 0.206 
'X-RAY DIFFRACTION' 2.086 2.212  1240 . 76  1163 99.9194  . 0.180 . . 0.176 . . . . . 0.178 . 20 . 0.981 0.964 0.243 
'X-RAY DIFFRACTION' 2.212 2.364  1148 . 58  1089 99.9129  . 0.193 . . 0.189 . . . . . 0.198 . 20 . 0.979 0.956 0.269 
'X-RAY DIFFRACTION' 2.364 2.553  1086 . 68  1015 99.7238  . 0.194 . . 0.192 . . . . . 0.208 . 20 . 0.979 0.974 0.230 
'X-RAY DIFFRACTION' 2.553 2.795  1012 . 35  975  99.8024  . 0.200 . . 0.201 . . . . . 0.221 . 20 . 0.976 0.984 0.187 
'X-RAY DIFFRACTION' 2.795 3.124  920  . 42  875  99.6739  . 0.189 . . 0.188 . . . . . 0.216 . 20 . 0.976 0.972 0.202 
'X-RAY DIFFRACTION' 3.124 3.604  815  . 45  762  99.0184  . 0.176 . . 0.176 . . . . . 0.204 . 20 . 0.982 0.979 0.190 
'X-RAY DIFFRACTION' 3.604 4.405  703  . 38  665  100.0000 . 0.163 . . 0.164 . . . . . 0.191 . 20 . 0.983 0.990 0.141 
'X-RAY DIFFRACTION' 4.405 6.197  556  . 18  538  100.0000 . 0.172 . . 0.171 . . . . . 0.214 . 20 . 0.984 0.977 0.186 
'X-RAY DIFFRACTION' 6.197 42.247 345  . 12  329  98.8406  . 0.226 . . 0.226 . . . . . 0.287 . 20 . 0.961 0.962 0.239 
# 
_struct.entry_id                     8RRG 
_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        8RRG 
_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 ? 
E N N 5 ? 
# 
_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              8RRG 
_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)' 340  ? 
1 MORE         -13  ? 
1 'SSA (A^2)'  7360 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_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       -0.29 
# 
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 106 ? O LEU A 218 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 ILE A 88  ? O ILE A 200 N ILE A 22  ? N ILE A 134 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RRG 
_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 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     129 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             86.50 
_pdbx_validate_torsion.psi             -2.43 
# 
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 
A1H2L N1   N  Y N 1   
A1H2L N3   N  Y N 2   
A1H2L C4   C  N N 3   
A1H2L C5   C  Y N 4   
A1H2L C6   C  Y N 5   
A1H2L C7   C  N N 6   
A1H2L C8   C  N N 7   
A1H2L C10  C  N N 8   
A1H2L C13  C  N R 9   
A1H2L C15  C  Y N 10  
A1H2L C17  C  Y N 11  
A1H2L C20  C  Y N 12  
A1H2L C21  C  Y N 13  
A1H2L C22  C  Y N 14  
A1H2L C1   C  N N 15  
A1H2L O1   O  N N 16  
A1H2L C2   C  N R 17  
A1H2L C3   C  N R 18  
A1H2L O2   O  N N 19  
A1H2L C9   C  N N 20  
A1H2L F1   F  N N 21  
A1H2L F2   F  N N 22  
A1H2L N2   N  Y N 23  
A1H2L O3   O  N N 24  
A1H2L C11  C  N R 25  
A1H2L C12  C  N N 26  
A1H2L O4   O  N N 27  
A1H2L O5   O  N N 28  
A1H2L C14  C  N S 29  
A1H2L N4   N  Y N 30  
A1H2L N5   N  Y N 31  
A1H2L N6   N  Y N 32  
A1H2L C16  C  Y N 33  
A1H2L C18  C  Y N 34  
A1H2L C19  C  Y N 35  
A1H2L CL1  CL N N 36  
A1H2L F3   F  N N 37  
A1H2L F4   F  N N 38  
A1H2L H7   H  N N 39  
A1H2L H6   H  N N 40  
A1H2L H8   H  N N 41  
A1H2L H10  H  N N 42  
A1H2L H9   H  N N 43  
A1H2L H13  H  N N 44  
A1H2L H18  H  N N 45  
A1H2L H21  H  N N 46  
A1H2L H23  H  N N 47  
A1H2L H2   H  N N 48  
A1H2L H3   H  N N 49  
A1H2L H1   H  N N 50  
A1H2L H4   H  N N 51  
A1H2L H5   H  N N 52  
A1H2L H11  H  N N 53  
A1H2L H12  H  N N 54  
A1H2L H14  H  N N 55  
A1H2L H15  H  N N 56  
A1H2L H16  H  N N 57  
A1H2L H17  H  N N 58  
A1H2L H19  H  N N 59  
A1H2L H20  H  N N 60  
A1H2L H22  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 
CL    CL   CL N N 135 
CYS   N    N  N N 136 
CYS   CA   C  N R 137 
CYS   C    C  N N 138 
CYS   O    O  N N 139 
CYS   CB   C  N N 140 
CYS   SG   S  N N 141 
CYS   OXT  O  N N 142 
CYS   H    H  N N 143 
CYS   H2   H  N N 144 
CYS   HA   H  N N 145 
CYS   HB2  H  N N 146 
CYS   HB3  H  N N 147 
CYS   HG   H  N N 148 
CYS   HXT  H  N N 149 
GLN   N    N  N N 150 
GLN   CA   C  N S 151 
GLN   C    C  N N 152 
GLN   O    O  N N 153 
GLN   CB   C  N N 154 
GLN   CG   C  N N 155 
GLN   CD   C  N N 156 
GLN   OE1  O  N N 157 
GLN   NE2  N  N N 158 
GLN   OXT  O  N N 159 
GLN   H    H  N N 160 
GLN   H2   H  N N 161 
GLN   HA   H  N N 162 
GLN   HB2  H  N N 163 
GLN   HB3  H  N N 164 
GLN   HG2  H  N N 165 
GLN   HG3  H  N N 166 
GLN   HE21 H  N N 167 
GLN   HE22 H  N N 168 
GLN   HXT  H  N N 169 
GLU   N    N  N N 170 
GLU   CA   C  N S 171 
GLU   C    C  N N 172 
GLU   O    O  N N 173 
GLU   CB   C  N N 174 
GLU   CG   C  N N 175 
GLU   CD   C  N N 176 
GLU   OE1  O  N N 177 
GLU   OE2  O  N N 178 
GLU   OXT  O  N N 179 
GLU   H    H  N N 180 
GLU   H2   H  N N 181 
GLU   HA   H  N N 182 
GLU   HB2  H  N N 183 
GLU   HB3  H  N N 184 
GLU   HG2  H  N N 185 
GLU   HG3  H  N N 186 
GLU   HE2  H  N N 187 
GLU   HXT  H  N N 188 
GLY   N    N  N N 189 
GLY   CA   C  N N 190 
GLY   C    C  N N 191 
GLY   O    O  N N 192 
GLY   OXT  O  N N 193 
GLY   H    H  N N 194 
GLY   H2   H  N N 195 
GLY   HA2  H  N N 196 
GLY   HA3  H  N N 197 
GLY   HXT  H  N N 198 
HIS   N    N  N N 199 
HIS   CA   C  N S 200 
HIS   C    C  N N 201 
HIS   O    O  N N 202 
HIS   CB   C  N N 203 
HIS   CG   C  Y N 204 
HIS   ND1  N  Y N 205 
HIS   CD2  C  Y N 206 
HIS   CE1  C  Y N 207 
HIS   NE2  N  Y N 208 
HIS   OXT  O  N N 209 
HIS   H    H  N N 210 
HIS   H2   H  N N 211 
HIS   HA   H  N N 212 
HIS   HB2  H  N N 213 
HIS   HB3  H  N N 214 
HIS   HD1  H  N N 215 
HIS   HD2  H  N N 216 
HIS   HE1  H  N N 217 
HIS   HE2  H  N N 218 
HIS   HXT  H  N N 219 
HOH   O    O  N N 220 
HOH   H1   H  N N 221 
HOH   H2   H  N N 222 
ILE   N    N  N N 223 
ILE   CA   C  N S 224 
ILE   C    C  N N 225 
ILE   O    O  N N 226 
ILE   CB   C  N S 227 
ILE   CG1  C  N N 228 
ILE   CG2  C  N N 229 
ILE   CD1  C  N N 230 
ILE   OXT  O  N N 231 
ILE   H    H  N N 232 
ILE   H2   H  N N 233 
ILE   HA   H  N N 234 
ILE   HB   H  N N 235 
ILE   HG12 H  N N 236 
ILE   HG13 H  N N 237 
ILE   HG21 H  N N 238 
ILE   HG22 H  N N 239 
ILE   HG23 H  N N 240 
ILE   HD11 H  N N 241 
ILE   HD12 H  N N 242 
ILE   HD13 H  N N 243 
ILE   HXT  H  N N 244 
LEU   N    N  N N 245 
LEU   CA   C  N S 246 
LEU   C    C  N N 247 
LEU   O    O  N N 248 
LEU   CB   C  N N 249 
LEU   CG   C  N N 250 
LEU   CD1  C  N N 251 
LEU   CD2  C  N N 252 
LEU   OXT  O  N N 253 
LEU   H    H  N N 254 
LEU   H2   H  N N 255 
LEU   HA   H  N N 256 
LEU   HB2  H  N N 257 
LEU   HB3  H  N N 258 
LEU   HG   H  N N 259 
LEU   HD11 H  N N 260 
LEU   HD12 H  N N 261 
LEU   HD13 H  N N 262 
LEU   HD21 H  N N 263 
LEU   HD22 H  N N 264 
LEU   HD23 H  N N 265 
LEU   HXT  H  N N 266 
LYS   N    N  N N 267 
LYS   CA   C  N S 268 
LYS   C    C  N N 269 
LYS   O    O  N N 270 
LYS   CB   C  N N 271 
LYS   CG   C  N N 272 
LYS   CD   C  N N 273 
LYS   CE   C  N N 274 
LYS   NZ   N  N N 275 
LYS   OXT  O  N N 276 
LYS   H    H  N N 277 
LYS   H2   H  N N 278 
LYS   HA   H  N N 279 
LYS   HB2  H  N N 280 
LYS   HB3  H  N N 281 
LYS   HG2  H  N N 282 
LYS   HG3  H  N N 283 
LYS   HD2  H  N N 284 
LYS   HD3  H  N N 285 
LYS   HE2  H  N N 286 
LYS   HE3  H  N N 287 
LYS   HZ1  H  N N 288 
LYS   HZ2  H  N N 289 
LYS   HZ3  H  N N 290 
LYS   HXT  H  N N 291 
MET   N    N  N N 292 
MET   CA   C  N S 293 
MET   C    C  N N 294 
MET   O    O  N N 295 
MET   CB   C  N N 296 
MET   CG   C  N N 297 
MET   SD   S  N N 298 
MET   CE   C  N N 299 
MET   OXT  O  N N 300 
MET   H    H  N N 301 
MET   H2   H  N N 302 
MET   HA   H  N N 303 
MET   HB2  H  N N 304 
MET   HB3  H  N N 305 
MET   HG2  H  N N 306 
MET   HG3  H  N N 307 
MET   HE1  H  N N 308 
MET   HE2  H  N N 309 
MET   HE3  H  N N 310 
MET   HXT  H  N N 311 
PHE   N    N  N N 312 
PHE   CA   C  N S 313 
PHE   C    C  N N 314 
PHE   O    O  N N 315 
PHE   CB   C  N N 316 
PHE   CG   C  Y N 317 
PHE   CD1  C  Y N 318 
PHE   CD2  C  Y N 319 
PHE   CE1  C  Y N 320 
PHE   CE2  C  Y N 321 
PHE   CZ   C  Y N 322 
PHE   OXT  O  N N 323 
PHE   H    H  N N 324 
PHE   H2   H  N N 325 
PHE   HA   H  N N 326 
PHE   HB2  H  N N 327 
PHE   HB3  H  N N 328 
PHE   HD1  H  N N 329 
PHE   HD2  H  N N 330 
PHE   HE1  H  N N 331 
PHE   HE2  H  N N 332 
PHE   HZ   H  N N 333 
PHE   HXT  H  N N 334 
PRO   N    N  N N 335 
PRO   CA   C  N S 336 
PRO   C    C  N N 337 
PRO   O    O  N N 338 
PRO   CB   C  N N 339 
PRO   CG   C  N N 340 
PRO   CD   C  N N 341 
PRO   OXT  O  N N 342 
PRO   H    H  N N 343 
PRO   HA   H  N N 344 
PRO   HB2  H  N N 345 
PRO   HB3  H  N N 346 
PRO   HG2  H  N N 347 
PRO   HG3  H  N N 348 
PRO   HD2  H  N N 349 
PRO   HD3  H  N N 350 
PRO   HXT  H  N N 351 
SCN   S    S  N N 352 
SCN   C    C  N N 353 
SCN   N    N  N N 354 
SER   N    N  N N 355 
SER   CA   C  N S 356 
SER   C    C  N N 357 
SER   O    O  N N 358 
SER   CB   C  N N 359 
SER   OG   O  N N 360 
SER   OXT  O  N N 361 
SER   H    H  N N 362 
SER   H2   H  N N 363 
SER   HA   H  N N 364 
SER   HB2  H  N N 365 
SER   HB3  H  N N 366 
SER   HG   H  N N 367 
SER   HXT  H  N N 368 
THR   N    N  N N 369 
THR   CA   C  N S 370 
THR   C    C  N N 371 
THR   O    O  N N 372 
THR   CB   C  N R 373 
THR   OG1  O  N N 374 
THR   CG2  C  N N 375 
THR   OXT  O  N N 376 
THR   H    H  N N 377 
THR   H2   H  N N 378 
THR   HA   H  N N 379 
THR   HB   H  N N 380 
THR   HG1  H  N N 381 
THR   HG21 H  N N 382 
THR   HG22 H  N N 383 
THR   HG23 H  N N 384 
THR   HXT  H  N N 385 
TRP   N    N  N N 386 
TRP   CA   C  N S 387 
TRP   C    C  N N 388 
TRP   O    O  N N 389 
TRP   CB   C  N N 390 
TRP   CG   C  Y N 391 
TRP   CD1  C  Y N 392 
TRP   CD2  C  Y N 393 
TRP   NE1  N  Y N 394 
TRP   CE2  C  Y N 395 
TRP   CE3  C  Y N 396 
TRP   CZ2  C  Y N 397 
TRP   CZ3  C  Y N 398 
TRP   CH2  C  Y N 399 
TRP   OXT  O  N N 400 
TRP   H    H  N N 401 
TRP   H2   H  N N 402 
TRP   HA   H  N N 403 
TRP   HB2  H  N N 404 
TRP   HB3  H  N N 405 
TRP   HD1  H  N N 406 
TRP   HE1  H  N N 407 
TRP   HE3  H  N N 408 
TRP   HZ2  H  N N 409 
TRP   HZ3  H  N N 410 
TRP   HH2  H  N N 411 
TRP   HXT  H  N N 412 
TYR   N    N  N N 413 
TYR   CA   C  N S 414 
TYR   C    C  N N 415 
TYR   O    O  N N 416 
TYR   CB   C  N N 417 
TYR   CG   C  Y N 418 
TYR   CD1  C  Y N 419 
TYR   CD2  C  Y N 420 
TYR   CE1  C  Y N 421 
TYR   CE2  C  Y N 422 
TYR   CZ   C  Y N 423 
TYR   OH   O  N N 424 
TYR   OXT  O  N N 425 
TYR   H    H  N N 426 
TYR   H2   H  N N 427 
TYR   HA   H  N N 428 
TYR   HB2  H  N N 429 
TYR   HB3  H  N N 430 
TYR   HD1  H  N N 431 
TYR   HD2  H  N N 432 
TYR   HE1  H  N N 433 
TYR   HE2  H  N N 434 
TYR   HH   H  N N 435 
TYR   HXT  H  N N 436 
VAL   N    N  N N 437 
VAL   CA   C  N S 438 
VAL   C    C  N N 439 
VAL   O    O  N N 440 
VAL   CB   C  N N 441 
VAL   CG1  C  N N 442 
VAL   CG2  C  N N 443 
VAL   OXT  O  N N 444 
VAL   H    H  N N 445 
VAL   H2   H  N N 446 
VAL   HA   H  N N 447 
VAL   HB   H  N N 448 
VAL   HG11 H  N N 449 
VAL   HG12 H  N N 450 
VAL   HG13 H  N N 451 
VAL   HG21 H  N N 452 
VAL   HG22 H  N N 453 
VAL   HG23 H  N N 454 
VAL   HXT  H  N N 455 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1H2L N3  N2   doub Y N 1   
A1H2L N3  C5   sing Y N 2   
A1H2L N2  N1   sing Y N 3   
A1H2L F1  C10  sing N N 4   
A1H2L C9  C7   sing N N 5   
A1H2L C9  O2   sing N N 6   
A1H2L C5  C4   sing N N 7   
A1H2L C5  C6   doub Y N 8   
A1H2L N1  C7   sing N N 9   
A1H2L N1  C6   sing Y N 10  
A1H2L C4  C3   sing N N 11  
A1H2L C10 C7   sing N N 12  
A1H2L C10 F2   sing N N 13  
A1H2L C7  C8   sing N N 14  
A1H2L N5  N6   doub Y N 15  
A1H2L N5  N4   sing Y N 16  
A1H2L O1  C1   sing N N 17  
A1H2L O1  C2   sing N N 18  
A1H2L N6  C15  sing Y N 19  
A1H2L O2  C8   sing N N 20  
A1H2L C14 N4   sing N N 21  
A1H2L C14 C2   sing N N 22  
A1H2L C14 C13  sing N N 23  
A1H2L C3  C2   sing N N 24  
A1H2L C3  O3   sing N N 25  
A1H2L N4  C22  sing Y N 26  
A1H2L C17 C18  doub Y N 27  
A1H2L C17 C16  sing Y N 28  
A1H2L C15 C22  doub Y N 29  
A1H2L C15 C16  sing N N 30  
A1H2L C11 C13  sing N N 31  
A1H2L C11 O3   sing N N 32  
A1H2L C11 C12  sing N N 33  
A1H2L C13 O5   sing N N 34  
A1H2L C18 C19  sing Y N 35  
A1H2L C16 C21  doub Y N 36  
A1H2L O4  C12  sing N N 37  
A1H2L C19 CL1  sing N N 38  
A1H2L C19 C20  doub Y N 39  
A1H2L C21 C20  sing Y N 40  
A1H2L C21 F4   sing N N 41  
A1H2L C20 F3   sing N N 42  
A1H2L C4  H7   sing N N 43  
A1H2L C4  H6   sing N N 44  
A1H2L C6  H8   sing N N 45  
A1H2L C8  H10  sing N N 46  
A1H2L C8  H9   sing N N 47  
A1H2L C10 H13  sing N N 48  
A1H2L C13 H18  sing N N 49  
A1H2L C17 H21  sing N N 50  
A1H2L C22 H23  sing N N 51  
A1H2L C1  H2   sing N N 52  
A1H2L C1  H3   sing N N 53  
A1H2L C1  H1   sing N N 54  
A1H2L C2  H4   sing N N 55  
A1H2L C3  H5   sing N N 56  
A1H2L C9  H11  sing N N 57  
A1H2L C9  H12  sing N N 58  
A1H2L C11 H14  sing N N 59  
A1H2L C12 H15  sing N N 60  
A1H2L C12 H16  sing N N 61  
A1H2L O4  H17  sing N N 62  
A1H2L O5  H19  sing N N 63  
A1H2L C14 H20  sing N N 64  
A1H2L C18 H22  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                    8RRG 
_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]   0.028944 
_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]   0.017370 
_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]   0.016080 
_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   ? 6.727   2.499   10.408  1.000 29.315 0 113 PRO   A N    1 ? 
ATOM   2    C  CA   . PRO   A 1 1   ? 5.718   3.398   9.865   1.000 27.912 0 113 PRO   A CA   1 ? 
ATOM   3    C  C    . PRO   A 1 1   ? 5.801   3.591   8.352   1.000 26.399 0 113 PRO   A C    1 ? 
ATOM   4    O  O    . PRO   A 1 1   ? 6.879   3.505   7.761   1.000 26.664 0 113 PRO   A O    1 ? 
ATOM   5    C  CB   . PRO   A 1 1   ? 6.001   4.688   10.642  1.000 28.572 0 113 PRO   A CB   1 ? 
ATOM   6    C  CG   . PRO   A 1 1   ? 6.421   4.197   12.016  1.000 29.626 0 113 PRO   A CG   1 ? 
ATOM   7    C  CD   . PRO   A 1 1   ? 6.845   2.742   11.838  1.000 29.868 0 113 PRO   A CD   1 ? 
ATOM   8    H  H    . PRO   A 1 1   ? 7.158   1.913   9.949   1.000 29.071 0 113 PRO   A H    1 c 
ATOM   9    H  HA   . PRO   A 1 1   ? 4.823   3.056   10.110  1.000 27.735 0 113 PRO   A HA   1 c 
ATOM   10   H  HB2  . PRO   A 1 1   ? 6.725   5.205   10.216  1.000 28.615 0 113 PRO   A HB2  1 c 
ATOM   11   H  HB3  . PRO   A 1 1   ? 5.194   5.250   10.700  1.000 28.607 0 113 PRO   A HB3  1 c 
ATOM   12   H  HG2  . PRO   A 1 1   ? 7.167   4.731   12.360  1.000 29.514 0 113 PRO   A HG2  1 c 
ATOM   13   H  HG3  . PRO   A 1 1   ? 5.675   4.262   12.648  1.000 29.512 0 113 PRO   A HG3  1 c 
ATOM   14   H  HD2  . PRO   A 1 1   ? 7.770   2.608   12.143  1.000 29.752 0 113 PRO   A HD2  1 c 
ATOM   15   H  HD3  . PRO   A 1 1   ? 6.255   2.142   12.346  1.000 29.735 0 113 PRO   A HD3  1 c 
ATOM   16   N  N    . LEU   A 1 2   ? 4.635   3.857   7.749   1.000 25.508 0 114 LEU   A N    1 ? 
ATOM   17   C  CA   . LEU   A 1 2   ? 4.458   3.898   6.305   1.000 25.483 0 114 LEU   A CA   1 ? 
ATOM   18   C  C    . LEU   A 1 2   ? 3.744   5.193   5.923   1.000 26.625 0 114 LEU   A C    1 ? 
ATOM   19   O  O    . LEU   A 1 2   ? 3.014   5.757   6.736   1.000 28.597 0 114 LEU   A O    1 ? 
ATOM   20   C  CB   . LEU   A 1 2   ? 3.637   2.671   5.903   1.000 25.846 0 114 LEU   A CB   1 ? 
ATOM   21   C  CG   . LEU   A 1 2   ? 4.121   1.321   6.445   1.000 26.362 0 114 LEU   A CG   1 ? 
ATOM   22   C  CD1  . LEU   A 1 2   ? 3.043   0.258   6.293   1.000 26.900 0 114 LEU   A CD1  1 ? 
ATOM   23   C  CD2  . LEU   A 1 2   ? 5.404   0.890   5.757   1.000 26.867 0 114 LEU   A CD2  1 ? 
ATOM   24   H  H    . LEU   A 1 2   ? 3.907   4.027   8.274   1.000 25.713 0 114 LEU   A H    1 c 
ATOM   25   H  HA   . LEU   A 1 2   ? 5.346   3.867   5.866   1.000 25.640 0 114 LEU   A HA   1 c 
ATOM   26   H  HB2  . LEU   A 1 2   ? 2.711   2.812   6.205   1.000 25.886 0 114 LEU   A HB2  1 c 
ATOM   27   H  HB3  . LEU   A 1 2   ? 3.623   2.622   4.919   1.000 25.871 0 114 LEU   A HB3  1 c 
ATOM   28   H  HG   . LEU   A 1 2   ? 4.310   1.423   7.413   1.000 26.444 0 114 LEU   A HG   1 c 
ATOM   29   H  HD11 . LEU   A 1 2   ? 2.256   0.519   6.800   1.000 26.826 0 114 LEU   A HD11 1 c 
ATOM   30   H  HD12 . LEU   A 1 2   ? 3.376   -0.592  6.626   1.000 26.779 0 114 LEU   A HD12 1 c 
ATOM   31   H  HD13 . LEU   A 1 2   ? 2.808   0.168   5.356   1.000 26.761 0 114 LEU   A HD13 1 c 
ATOM   32   H  HD21 . LEU   A 1 2   ? 6.095   1.556   5.911   1.000 26.765 0 114 LEU   A HD21 1 c 
ATOM   33   H  HD22 . LEU   A 1 2   ? 5.247   0.801   4.802   1.000 26.750 0 114 LEU   A HD22 1 c 
ATOM   34   H  HD23 . LEU   A 1 2   ? 5.694   0.035   6.118   1.000 26.770 0 114 LEU   A HD23 1 c 
ATOM   35   N  N    . ILE   A 1 3   ? 3.933   5.637   4.673   1.000 26.877 0 115 ILE   A N    1 ? 
ATOM   36   C  CA   . ILE   A 1 3   ? 3.276   6.831   4.156   1.000 27.844 0 115 ILE   A CA   1 ? 
ATOM   37   C  C    . ILE   A 1 3   ? 2.022   6.405   3.396   1.000 26.864 0 115 ILE   A C    1 ? 
ATOM   38   O  O    . ILE   A 1 3   ? 2.091   5.558   2.509   1.000 27.977 0 115 ILE   A O    1 ? 
ATOM   39   C  CB   . ILE   A 1 3   ? 4.241   7.654   3.274   1.000 29.308 0 115 ILE   A CB   1 ? 
ATOM   40   C  CG1  . ILE   A 1 3   ? 5.185   8.529   4.108   1.000 30.407 0 115 ILE   A CG1  1 ? 
ATOM   41   C  CG2  . ILE   A 1 3   ? 3.485   8.511   2.256   1.000 30.366 0 115 ILE   A CG2  1 ? 
ATOM   42   C  CD1  . ILE   A 1 3   ? 5.815   7.837   5.302   1.000 30.978 0 115 ILE   A CD1  1 ? 
ATOM   43   H  H    . ILE   A 1 3   ? 4.493   5.173   4.119   1.000 27.014 0 115 ILE   A H    1 c 
ATOM   44   H  HA   . ILE   A 1 3   ? 3.006   7.388   4.912   1.000 27.745 0 115 ILE   A HA   1 c 
ATOM   45   H  HB   . ILE   A 1 3   ? 4.794   7.022   2.774   1.000 29.358 0 115 ILE   A HB   1 c 
ATOM   46   H  HG12 . ILE   A 1 3   ? 5.901   8.854   3.525   1.000 30.343 0 115 ILE   A HG12 1 c 
ATOM   47   H  HG13 . ILE   A 1 3   ? 4.686   9.308   4.427   1.000 30.294 0 115 ILE   A HG13 1 c 
ATOM   48   H  HG21 . ILE   A 1 3   ? 4.114   9.080   1.781   1.000 30.119 0 115 ILE   A HG21 1 c 
ATOM   49   H  HG22 . ILE   A 1 3   ? 2.834   9.067   2.716   1.000 30.153 0 115 ILE   A HG22 1 c 
ATOM   50   H  HG23 . ILE   A 1 3   ? 3.028   7.938   1.617   1.000 30.099 0 115 ILE   A HG23 1 c 
ATOM   51   H  HD11 . ILE   A 1 3   ? 5.133   7.649   5.974   1.000 30.778 0 115 ILE   A HD11 1 c 
ATOM   52   H  HD12 . ILE   A 1 3   ? 6.494   8.422   5.687   1.000 30.852 0 115 ILE   A HD12 1 c 
ATOM   53   H  HD13 . ILE   A 1 3   ? 6.230   7.001   5.018   1.000 30.814 0 115 ILE   A HD13 1 c 
ATOM   54   N  N    . VAL   A 1 4   ? 0.877   6.994   3.758   1.000 24.921 0 116 VAL   A N    1 ? 
ATOM   55   C  CA   . VAL   A 1 4   ? -0.359  6.748   3.030   1.000 24.097 0 116 VAL   A CA   1 ? 
ATOM   56   C  C    . VAL   A 1 4   ? -0.329  7.583   1.750   1.000 23.068 0 116 VAL   A C    1 ? 
ATOM   57   O  O    . VAL   A 1 4   ? 0.336   8.621   1.711   1.000 22.941 0 116 VAL   A O    1 ? 
ATOM   58   C  CB   . VAL   A 1 4   ? -1.617  7.039   3.875   1.000 25.313 0 116 VAL   A CB   1 ? 
ATOM   59   C  CG1  . VAL   A 1 4   ? -1.708  6.110   5.082   1.000 26.003 0 116 VAL   A CG1  1 ? 
ATOM   60   C  CG2  . VAL   A 1 4   ? -1.707  8.496   4.312   1.000 26.116 0 116 VAL   A CG2  1 ? 
ATOM   61   H  HA   . VAL   A 1 4   ? -0.376  5.806   2.783   1.000 24.207 0 116 VAL   A HA   1 c 
ATOM   62   H  HB   . VAL   A 1 4   ? -2.399  6.855   3.304   1.000 25.356 0 116 VAL   A HB   1 c 
ATOM   63   H  HG11 . VAL   A 1 4   ? -0.930  6.239   5.651   1.000 25.879 0 116 VAL   A HG11 1 c 
ATOM   64   H  HG12 . VAL   A 1 4   ? -1.737  5.187   4.780   1.000 25.844 0 116 VAL   A HG12 1 c 
ATOM   65   H  HG13 . VAL   A 1 4   ? -2.514  6.311   5.586   1.000 25.880 0 116 VAL   A HG13 1 c 
ATOM   66   H  HG21 . VAL   A 1 4   ? -2.482  8.614   4.885   1.000 25.934 0 116 VAL   A HG21 1 c 
ATOM   67   H  HG22 . VAL   A 1 4   ? -1.794  9.067   3.530   1.000 25.905 0 116 VAL   A HG22 1 c 
ATOM   68   H  HG23 . VAL   A 1 4   ? -0.903  8.739   4.801   1.000 25.963 0 116 VAL   A HG23 1 c 
ATOM   69   N  N    . PRO   A 1 5   ? -1.017  7.172   0.655   1.000 22.787 0 117 PRO   A N    1 ? 
ATOM   70   C  CA   . PRO   A 1 5   ? -1.807  5.937   0.618   1.000 22.347 0 117 PRO   A CA   1 ? 
ATOM   71   C  C    . PRO   A 1 5   ? -0.959  4.667   0.559   1.000 21.549 0 117 PRO   A C    1 ? 
ATOM   72   O  O    . PRO   A 1 5   ? 0.132   4.669   -0.013  1.000 22.162 0 117 PRO   A O    1 ? 
ATOM   73   C  CB   . PRO   A 1 5   ? -2.662  6.126   -0.649  1.000 22.912 0 117 PRO   A CB   1 ? 
ATOM   74   C  CG   . PRO   A 1 5   ? -1.791  6.959   -1.556  1.000 23.429 0 117 PRO   A CG   1 ? 
ATOM   75   C  CD   . PRO   A 1 5   ? -1.064  7.909   -0.619  1.000 23.122 0 117 PRO   A CD   1 ? 
ATOM   76   H  HA   . PRO   A 1 5   ? -2.397  5.909   1.408   1.000 22.387 0 117 PRO   A HA   1 c 
ATOM   77   H  HB2  . PRO   A 1 5   ? -2.875  5.258   -1.064  1.000 22.855 0 117 PRO   A HB2  1 c 
ATOM   78   H  HB3  . PRO   A 1 5   ? -3.503  6.596   -0.439  1.000 22.938 0 117 PRO   A HB3  1 c 
ATOM   79   H  HG2  . PRO   A 1 5   ? -1.154  6.396   -2.043  1.000 23.275 0 117 PRO   A HG2  1 c 
ATOM   80   H  HG3  . PRO   A 1 5   ? -2.334  7.456   -2.203  1.000 23.283 0 117 PRO   A HG3  1 c 
ATOM   81   H  HD2  . PRO   A 1 5   ? -0.159  8.104   -0.949  1.000 23.142 0 117 PRO   A HD2  1 c 
ATOM   82   H  HD3  . PRO   A 1 5   ? -1.559  8.753   -0.521  1.000 23.108 0 117 PRO   A HD3  1 c 
ATOM   83   N  N    . TYR   A 1 6   ? -1.471  3.596   1.177   1.000 20.577 0 118 TYR   A N    1 ? 
ATOM   84   C  CA   . TYR   A 1 6   ? -0.772  2.324   1.275   1.000 20.521 0 118 TYR   A CA   1 ? 
ATOM   85   C  C    . TYR   A 1 6   ? -1.700  1.210   0.795   1.000 20.653 0 118 TYR   A C    1 ? 
ATOM   86   O  O    . TYR   A 1 6   ? -2.882  1.197   1.135   1.000 20.339 0 118 TYR   A O    1 ? 
ATOM   87   C  CB   . TYR   A 1 6   ? -0.325  2.081   2.720   1.000 21.380 0 118 TYR   A CB   1 ? 
ATOM   88   C  CG   . TYR   A 1 6   ? 0.435   0.779   2.934   1.000 22.654 0 118 TYR   A CG   1 ? 
ATOM   89   C  CD1  . TYR   A 1 6   ? 1.789   0.688   2.646   1.000 23.705 0 118 TYR   A CD1  1 ? 
ATOM   90   C  CD2  . TYR   A 1 6   ? -0.193  -0.358  3.428   1.000 23.481 0 118 TYR   A CD2  1 ? 
ATOM   91   C  CE1  . TYR   A 1 6   ? 2.490   -0.495  2.826   1.000 24.865 0 118 TYR   A CE1  1 ? 
ATOM   92   C  CE2  . TYR   A 1 6   ? 0.498   -1.544  3.619   1.000 24.560 0 118 TYR   A CE2  1 ? 
ATOM   93   C  CZ   . TYR   A 1 6   ? 1.845   -1.614  3.316   1.000 25.247 0 118 TYR   A CZ   1 ? 
ATOM   94   O  OH   . TYR   A 1 6   ? 2.562   -2.762  3.492   1.000 28.082 0 118 TYR   A OH   1 ? 
ATOM   95   H  H    . TYR   A 1 6   ? -2.300  3.663   1.556   1.000 20.725 0 118 TYR   A H    1 c 
ATOM   96   H  HA   . TYR   A 1 6   ? 0.030   2.351   0.692   1.000 20.653 0 118 TYR   A HA   1 c 
ATOM   97   H  HB2  . TYR   A 1 6   ? 0.246   2.831   2.999   1.000 21.383 0 118 TYR   A HB2  1 c 
ATOM   98   H  HB3  . TYR   A 1 6   ? -1.122  2.082   3.296   1.000 21.398 0 118 TYR   A HB3  1 c 
ATOM   99   H  HD1  . TYR   A 1 6   ? 2.238   1.444   2.310   1.000 23.651 0 118 TYR   A HD1  1 c 
ATOM   100  H  HD2  . TYR   A 1 6   ? -1.114  -0.324  3.633   1.000 23.504 0 118 TYR   A HD2  1 c 
ATOM   101  H  HE1  . TYR   A 1 6   ? 3.405   -0.537  2.627   1.000 24.708 0 118 TYR   A HE1  1 c 
ATOM   102  H  HE2  . TYR   A 1 6   ? 0.051   -2.304  3.951   1.000 24.411 0 118 TYR   A HE2  1 c 
ATOM   103  H  HH   . TYR   A 1 6   ? 2.916   -2.776  4.255   0.000 33.665 0 118 TYR   A HH   1 c 
ATOM   104  N  N    . ASN   A 1 7   ? -1.138  0.275   0.020   1.000 21.565 0 119 ASN   A N    1 ? 
ATOM   105  C  CA   . ASN   A 1 7   ? -1.869  -0.889  -0.453  1.000 22.746 0 119 ASN   A CA   1 ? 
ATOM   106  C  C    . ASN   A 1 7   ? -1.277  -2.131  0.208   1.000 21.955 0 119 ASN   A C    1 ? 
ATOM   107  O  O    . ASN   A 1 7   ? -0.097  -2.425  0.026   1.000 22.586 0 119 ASN   A O    1 ? 
ATOM   108  C  CB   . ASN   A 1 7   ? -1.852  -0.969  -1.977  1.000 25.073 0 119 ASN   A CB   1 ? 
ATOM   109  C  CG   . ASN   A 1 7   ? -3.140  -1.540  -2.521  1.000 27.359 0 119 ASN   A CG   1 ? 
ATOM   110  O  OD1  . ASN   A 1 7   ? -3.375  -2.748  -2.414  1.000 29.225 0 119 ASN   A OD1  1 ? 
ATOM   111  N  ND2  . ASN   A 1 7   ? -3.992  -0.694  -3.087  1.000 29.675 0 119 ASN   A ND2  1 ? 
ATOM   112  H  H    . ASN   A 1 7   ? -0.262  0.367   -0.225  1.000 21.568 0 119 ASN   A H    1 c 
ATOM   113  H  HA   . ASN   A 1 7   ? -2.807  -0.800  -0.174  1.000 22.708 0 119 ASN   A HA   1 c 
ATOM   114  H  HB2  . ASN   A 1 7   ? -1.713  -0.073  -2.345  1.000 24.939 0 119 ASN   A HB2  1 c 
ATOM   115  H  HB3  . ASN   A 1 7   ? -1.105  -1.532  -2.263  1.000 24.933 0 119 ASN   A HB3  1 c 
ATOM   116  H  HD21 . ASN   A 1 7   ? -3.826  0.178   -3.083  1.000 29.009 0 119 ASN   A HD21 1 c 
ATOM   117  H  HD22 . ASN   A 1 7   ? -4.730  -1.002  -3.470  1.000 29.179 0 119 ASN   A HD22 1 c 
ATOM   118  N  N    . LEU   A 1 8   ? -2.094  -2.815  1.017   1.000 20.662 0 120 LEU   A N    1 ? 
ATOM   119  C  CA   . LEU   A 1 8   ? -1.740  -4.094  1.610   1.000 20.754 0 120 LEU   A CA   1 ? 
ATOM   120  C  C    . LEU   A 1 8   ? -2.258  -5.206  0.702   1.000 20.501 0 120 LEU   A C    1 ? 
ATOM   121  O  O    . LEU   A 1 8   ? -3.468  -5.339  0.530   1.000 19.994 0 120 LEU   A O    1 ? 
ATOM   122  C  CB   . LEU   A 1 8   ? -2.345  -4.201  3.010   1.000 21.287 0 120 LEU   A CB   1 ? 
ATOM   123  C  CG   . LEU   A 1 8   ? -2.093  -5.509  3.768   1.000 21.604 0 120 LEU   A CG   1 ? 
ATOM   124  C  CD1  . LEU   A 1 8   ? -0.625  -5.681  4.114   1.000 22.069 0 120 LEU   A CD1  1 ? 
ATOM   125  C  CD2  . LEU   A 1 8   ? -2.942  -5.581  5.026   1.000 21.795 0 120 LEU   A CD2  1 ? 
ATOM   126  H  H    . LEU   A 1 8   ? -2.915  -2.462  1.211   1.000 20.848 0 120 LEU   A H    1 c 
ATOM   127  H  HA   . LEU   A 1 8   ? -0.756  -4.153  1.676   1.000 20.724 0 120 LEU   A HA   1 c 
ATOM   128  H  HB2  . LEU   A 1 8   ? -1.994  -3.458  3.552   1.000 21.266 0 120 LEU   A HB2  1 c 
ATOM   129  H  HB3  . LEU   A 1 8   ? -3.318  -4.071  2.933   1.000 21.227 0 120 LEU   A HB3  1 c 
ATOM   130  H  HG   . LEU   A 1 8   ? -2.358  -6.264  3.181   1.000 21.610 0 120 LEU   A HG   1 c 
ATOM   131  H  HD11 . LEU   A 1 8   ? -0.101  -5.720  3.297   1.000 21.942 0 120 LEU   A HD11 1 c 
ATOM   132  H  HD12 . LEU   A 1 8   ? -0.504  -6.505  4.614   1.000 21.972 0 120 LEU   A HD12 1 c 
ATOM   133  H  HD13 . LEU   A 1 8   ? -0.328  -4.929  4.653   1.000 21.986 0 120 LEU   A HD13 1 c 
ATOM   134  H  HD21 . LEU   A 1 8   ? -3.883  -5.537  4.787   1.000 21.815 0 120 LEU   A HD21 1 c 
ATOM   135  H  HD22 . LEU   A 1 8   ? -2.722  -4.836  5.610   1.000 21.738 0 120 LEU   A HD22 1 c 
ATOM   136  H  HD23 . LEU   A 1 8   ? -2.766  -6.417  5.490   1.000 21.751 0 120 LEU   A HD23 1 c 
ATOM   137  N  N    . PRO   A 1 9   ? -1.382  -6.030  0.082   1.000 20.753 0 121 PRO   A N    1 ? 
ATOM   138  C  CA   . PRO   A 1 9   ? -1.851  -7.184  -0.687  1.000 21.085 0 121 PRO   A CA   1 ? 
ATOM   139  C  C    . PRO   A 1 9   ? -2.550  -8.199  0.212   1.000 20.539 0 121 PRO   A C    1 ? 
ATOM   140  O  O    . PRO   A 1 9   ? -2.126  -8.422  1.345   1.000 21.030 0 121 PRO   A O    1 ? 
ATOM   141  C  CB   . PRO   A 1 9   ? -0.584  -7.767  -1.332  1.000 21.717 0 121 PRO   A CB   1 ? 
ATOM   142  C  CG   . PRO   A 1 9   ? 0.452   -6.674  -1.194  1.000 21.850 0 121 PRO   A CG   1 ? 
ATOM   143  C  CD   . PRO   A 1 9   ? 0.083   -5.888  0.051   1.000 21.290 0 121 PRO   A CD   1 ? 
ATOM   144  H  HA   . PRO   A 1 9   ? -2.470  -6.872  -1.394  1.000 21.009 0 121 PRO   A HA   1 c 
ATOM   145  H  HB2  . PRO   A 1 9   ? -0.295  -8.585  -0.863  1.000 21.603 0 121 PRO   A HB2  1 c 
ATOM   146  H  HB3  . PRO   A 1 9   ? -0.741  -7.984  -2.281  1.000 21.615 0 121 PRO   A HB3  1 c 
ATOM   147  H  HG2  . PRO   A 1 9   ? 1.348   -7.060  -1.102  1.000 21.722 0 121 PRO   A HG2  1 c 
ATOM   148  H  HG3  . PRO   A 1 9   ? 0.445   -6.091  -1.982  1.000 21.715 0 121 PRO   A HG3  1 c 
ATOM   149  H  HD2  . PRO   A 1 9   ? 0.497   -6.277  0.854   1.000 21.293 0 121 PRO   A HD2  1 c 
ATOM   150  H  HD3  . PRO   A 1 9   ? 0.352   -4.948  -0.034  1.000 21.279 0 121 PRO   A HD3  1 c 
ATOM   151  N  N    . LEU   A 1 10  ? -3.629  -8.794  -0.312  1.000 19.877 0 122 LEU   A N    1 ? 
ATOM   152  C  CA   . LEU   A 1 10  ? -4.332  -9.890  0.336   1.000 19.772 0 122 LEU   A CA   1 ? 
ATOM   153  C  C    . LEU   A 1 10  ? -4.326  -11.074 -0.630  1.000 19.546 0 122 LEU   A C    1 ? 
ATOM   154  O  O    . LEU   A 1 10  ? -5.307  -11.331 -1.320  1.000 19.288 0 122 LEU   A O    1 ? 
ATOM   155  C  CB   . LEU   A 1 10  ? -5.753  -9.470  0.715   1.000 19.574 0 122 LEU   A CB   1 ? 
ATOM   156  C  CG   . LEU   A 1 10  ? -5.885  -8.212  1.583   1.000 19.579 0 122 LEU   A CG   1 ? 
ATOM   157  C  CD1  . LEU   A 1 10  ? -7.337  -7.771  1.709   1.000 19.609 0 122 LEU   A CD1  1 ? 
ATOM   158  C  CD2  . LEU   A 1 10  ? -5.285  -8.427  2.961   1.000 20.232 0 122 LEU   A CD2  1 ? 
ATOM   159  H  H    . LEU   A 1 10  ? -3.941  -8.500  -1.119  1.000 19.976 0 122 LEU   A H    1 c 
ATOM   160  H  HA   . LEU   A 1 10  ? -3.840  -10.142 1.156   1.000 19.780 0 122 LEU   A HA   1 c 
ATOM   161  H  HB2  . LEU   A 1 10  ? -6.262  -9.325  -0.115  1.000 19.580 0 122 LEU   A HB2  1 c 
ATOM   162  H  HB3  . LEU   A 1 10  ? -6.176  -10.221 1.191   1.000 19.619 0 122 LEU   A HB3  1 c 
ATOM   163  H  HG   . LEU   A 1 10  ? -5.382  -7.479  1.143   1.000 19.671 0 122 LEU   A HG   1 c 
ATOM   164  H  HD11 . LEU   A 1 10  ? -7.692  -7.569  0.827   1.000 19.607 0 122 LEU   A HD11 1 c 
ATOM   165  H  HD12 . LEU   A 1 10  ? -7.389  -6.978  2.268   1.000 19.572 0 122 LEU   A HD12 1 c 
ATOM   166  H  HD13 . LEU   A 1 10  ? -7.859  -8.485  2.111   1.000 19.593 0 122 LEU   A HD13 1 c 
ATOM   167  H  HD21 . LEU   A 1 10  ? -4.338  -8.627  2.876   1.000 20.151 0 122 LEU   A HD21 1 c 
ATOM   168  H  HD22 . LEU   A 1 10  ? -5.734  -9.169  3.399   1.000 20.091 0 122 LEU   A HD22 1 c 
ATOM   169  H  HD23 . LEU   A 1 10  ? -5.398  -7.622  3.493   1.000 20.101 0 122 LEU   A HD23 1 c 
ATOM   170  N  N    . PRO   A 1 11  ? -3.207  -11.823 -0.736  1.000 19.736 0 123 PRO   A N    1 ? 
ATOM   171  C  CA   . PRO   A 1 11  ? -3.065  -12.835 -1.786  1.000 19.655 0 123 PRO   A CA   1 ? 
ATOM   172  C  C    . PRO   A 1 11  ? -4.064  -13.984 -1.676  1.000 20.045 0 123 PRO   A C    1 ? 
ATOM   173  O  O    . PRO   A 1 11  ? -4.159  -14.641 -0.648  1.000 22.036 0 123 PRO   A O    1 ? 
ATOM   174  C  CB   . PRO   A 1 11  ? -1.613  -13.326 -1.628  1.000 19.959 0 123 PRO   A CB   1 ? 
ATOM   175  C  CG   . PRO   A 1 11  ? -0.943  -12.277 -0.767  1.000 20.227 0 123 PRO   A CG   1 ? 
ATOM   176  C  CD   . PRO   A 1 11  ? -2.027  -11.735 0.136   1.000 20.388 0 123 PRO   A CD   1 ? 
ATOM   177  H  HA   . PRO   A 1 11  ? -3.165  -12.389 -2.663  1.000 19.789 0 123 PRO   A HA   1 c 
ATOM   178  H  HB2  . PRO   A 1 11  ? -1.585  -14.209 -1.190  1.000 19.973 0 123 PRO   A HB2  1 c 
ATOM   179  H  HB3  . PRO   A 1 11  ? -1.169  -13.394 -2.505  1.000 19.967 0 123 PRO   A HB3  1 c 
ATOM   180  H  HG2  . PRO   A 1 11  ? -0.221  -12.674 -0.237  1.000 20.218 0 123 PRO   A HG2  1 c 
ATOM   181  H  HG3  . PRO   A 1 11  ? -0.568  -11.562 -1.322  1.000 20.190 0 123 PRO   A HG3  1 c 
ATOM   182  H  HD2  . PRO   A 1 11  ? -2.132  -12.289 0.940   1.000 20.235 0 123 PRO   A HD2  1 c 
ATOM   183  H  HD3  . PRO   A 1 11  ? -1.836  -10.809 0.396   1.000 20.224 0 123 PRO   A HD3  1 c 
ATOM   184  N  N    . GLY   A 1 12  ? -4.802  -14.235 -2.758  1.000 19.443 0 124 GLY   A N    1 ? 
ATOM   185  C  CA   . GLY   A 1 12  ? -5.850  -15.243 -2.746  1.000 20.294 0 124 GLY   A CA   1 ? 
ATOM   186  C  C    . GLY   A 1 12  ? -7.079  -14.763 -1.975  1.000 20.490 0 124 GLY   A C    1 ? 
ATOM   187  O  O    . GLY   A 1 12  ? -7.931  -15.572 -1.613  1.000 21.395 0 124 GLY   A O    1 ? 
ATOM   188  H  H    . GLY   A 1 12  ? -4.656  -13.760 -3.524  1.000 19.719 0 124 GLY   A H    1 c 
ATOM   189  H  HA2  . GLY   A 1 12  ? -6.106  -15.452 -3.675  1.000 20.150 0 124 GLY   A HA2  1 c 
ATOM   190  H  HA3  . GLY   A 1 12  ? -5.504  -16.068 -2.333  1.000 20.182 0 124 GLY   A HA3  1 c 
ATOM   191  N  N    . GLY   A 1 13  ? -7.151  -13.448 -1.724  1.000 20.027 0 125 GLY   A N    1 ? 
ATOM   192  C  CA   . GLY   A 1 13  ? -8.316  -12.821 -1.123  1.000 19.861 0 125 GLY   A CA   1 ? 
ATOM   193  C  C    . GLY   A 1 13  ? -8.401  -13.082 0.378   1.000 19.569 0 125 GLY   A C    1 ? 
ATOM   194  O  O    . GLY   A 1 13  ? -7.412  -13.446 1.011   1.000 21.206 0 125 GLY   A O    1 ? 
ATOM   195  H  H    . GLY   A 1 13  ? -6.445  -12.914 -1.950  1.000 20.025 0 125 GLY   A H    1 c 
ATOM   196  H  HA2  . GLY   A 1 13  ? -8.270  -11.854 -1.282  1.000 19.849 0 125 GLY   A HA2  1 c 
ATOM   197  H  HA3  . GLY   A 1 13  ? -9.127  -13.161 -1.562  1.000 19.835 0 125 GLY   A HA3  1 c 
ATOM   198  N  N    . VAL   A 1 14  ? -9.604  -12.893 0.932   1.000 18.245 0 126 VAL   A N    1 ? 
ATOM   199  C  CA   . VAL   A 1 14  ? -9.830  -13.041 2.360   1.000 17.874 0 126 VAL   A CA   1 ? 
ATOM   200  C  C    . VAL   A 1 14  ? -10.585 -14.345 2.611   1.000 17.987 0 126 VAL   A C    1 ? 
ATOM   201  O  O    . VAL   A 1 14  ? -11.112 -14.955 1.681   1.000 18.347 0 126 VAL   A O    1 ? 
ATOM   202  C  CB   . VAL   A 1 14  ? -10.564 -11.831 2.976   1.000 17.794 0 126 VAL   A CB   1 ? 
ATOM   203  C  CG1  . VAL   A 1 14  ? -9.768  -10.544 2.798   1.000 17.724 0 126 VAL   A CG1  1 ? 
ATOM   204  C  CG2  . VAL   A 1 14  ? -11.981 -11.660 2.440   1.000 17.628 0 126 VAL   A CG2  1 ? 
ATOM   205  H  H    . VAL   A 1 14  ? -10.310 -12.668 0.396   1.000 18.420 0 126 VAL   A H    1 c 
ATOM   206  H  HA   . VAL   A 1 14  ? -8.960  -13.112 2.795   1.000 17.938 0 126 VAL   A HA   1 c 
ATOM   207  H  HB   . VAL   A 1 14  ? -10.634 -12.001 3.942   1.000 17.765 0 126 VAL   A HB   1 c 
ATOM   208  H  HG11 . VAL   A 1 14  ? -9.643  -10.367 1.851   1.000 17.746 0 126 VAL   A HG11 1 c 
ATOM   209  H  HG12 . VAL   A 1 14  ? -8.900  -10.637 3.227   1.000 17.731 0 126 VAL   A HG12 1 c 
ATOM   210  H  HG13 . VAL   A 1 14  ? -10.251 -9.805  3.204   1.000 17.747 0 126 VAL   A HG13 1 c 
ATOM   211  H  HG21 . VAL   A 1 14  ? -12.368 -10.845 2.802   1.000 17.667 0 126 VAL   A HG21 1 c 
ATOM   212  H  HG22 . VAL   A 1 14  ? -12.525 -12.420 2.708   1.000 17.653 0 126 VAL   A HG22 1 c 
ATOM   213  H  HG23 . VAL   A 1 14  ? -11.960 -11.603 1.471   1.000 17.675 0 126 VAL   A HG23 1 c 
ATOM   214  N  N    . VAL   A 1 15  ? -10.627 -14.745 3.886   1.000 18.248 0 127 VAL   A N    1 ? 
ATOM   215  C  CA   . VAL   A 1 15  ? -11.233 -15.998 4.311   1.000 18.685 0 127 VAL   A CA   1 ? 
ATOM   216  C  C    . VAL   A 1 15  ? -11.728 -15.817 5.744   1.000 18.419 0 127 VAL   A C    1 ? 
ATOM   217  O  O    . VAL   A 1 15  ? -11.135 -15.058 6.505   1.000 18.185 0 127 VAL   A O    1 ? 
ATOM   218  C  CB   . VAL   A 1 15  ? -10.205 -17.144 4.198   1.000 19.170 0 127 VAL   A CB   1 ? 
ATOM   219  C  CG1  . VAL   A 1 15  ? -9.011  -16.949 5.128   1.000 19.165 0 127 VAL   A CG1  1 ? 
ATOM   220  C  CG2  . VAL   A 1 15  ? -10.828 -18.514 4.435   1.000 19.613 0 127 VAL   A CG2  1 ? 
ATOM   221  H  H    . VAL   A 1 15  ? -10.251 -14.209 4.524   1.000 18.227 0 127 VAL   A H    1 c 
ATOM   222  H  HA   . VAL   A 1 15  ? -11.992 -16.193 3.731   1.000 18.645 0 127 VAL   A HA   1 c 
ATOM   223  H  HB   . VAL   A 1 15  ? -9.863  -17.133 3.273   1.000 19.151 0 127 VAL   A HB   1 c 
ATOM   224  H  HG11 . VAL   A 1 15  ? -9.308  -16.976 6.053   1.000 19.162 0 127 VAL   A HG11 1 c 
ATOM   225  H  HG12 . VAL   A 1 15  ? -8.594  -16.090 4.947   1.000 19.151 0 127 VAL   A HG12 1 c 
ATOM   226  H  HG13 . VAL   A 1 15  ? -8.364  -17.659 4.977   1.000 19.166 0 127 VAL   A HG13 1 c 
ATOM   227  H  HG21 . VAL   A 1 15  ? -10.156 -19.203 4.303   1.000 19.539 0 127 VAL   A HG21 1 c 
ATOM   228  H  HG22 . VAL   A 1 15  ? -11.559 -18.651 3.808   1.000 19.514 0 127 VAL   A HG22 1 c 
ATOM   229  H  HG23 . VAL   A 1 15  ? -11.168 -18.565 5.344   1.000 19.497 0 127 VAL   A HG23 1 c 
ATOM   230  N  N    . PRO   A 1 16  ? -12.829 -16.476 6.173   1.000 18.633 0 128 PRO   A N    1 ? 
ATOM   231  C  CA   . PRO   A 1 16  ? -13.243 -16.404 7.577   1.000 18.850 0 128 PRO   A CA   1 ? 
ATOM   232  C  C    . PRO   A 1 16  ? -12.126 -16.742 8.566   1.000 18.934 0 128 PRO   A C    1 ? 
ATOM   233  O  O    . PRO   A 1 16  ? -11.318 -17.630 8.305   1.000 19.417 0 128 PRO   A O    1 ? 
ATOM   234  C  CB   . PRO   A 1 16  ? -14.416 -17.390 7.631   1.000 19.061 0 128 PRO   A CB   1 ? 
ATOM   235  C  CG   . PRO   A 1 16  ? -14.992 -17.321 6.236   1.000 19.108 0 128 PRO   A CG   1 ? 
ATOM   236  C  CD   . PRO   A 1 16  ? -13.767 -17.248 5.339   1.000 18.977 0 128 PRO   A CD   1 ? 
ATOM   237  H  HA   . PRO   A 1 16  ? -13.577 -15.493 7.752   1.000 18.861 0 128 PRO   A HA   1 c 
ATOM   238  H  HB2  . PRO   A 1 16  ? -14.104 -18.301 7.841   1.000 19.049 0 128 PRO   A HB2  1 c 
ATOM   239  H  HB3  . PRO   A 1 16  ? -15.081 -17.111 8.304   1.000 19.031 0 128 PRO   A HB3  1 c 
ATOM   240  H  HG2  . PRO   A 1 16  ? -15.526 -18.118 6.037   1.000 19.084 0 128 PRO   A HG2  1 c 
ATOM   241  H  HG3  . PRO   A 1 16  ? -15.554 -16.525 6.127   1.000 19.084 0 128 PRO   A HG3  1 c 
ATOM   242  H  HD2  . PRO   A 1 16  ? -13.420 -18.145 5.142   1.000 18.935 0 128 PRO   A HD2  1 c 
ATOM   243  H  HD3  . PRO   A 1 16  ? -13.971 -16.781 4.499   1.000 18.935 0 128 PRO   A HD3  1 c 
ATOM   244  N  N    . ARG   A 1 17  ? -12.089 -15.977 9.668   1.000 19.313 0 129 ARG   A N    1 ? 
ATOM   245  C  CA   . ARG   A 1 17  ? -11.107 -16.073 10.744  1.000 20.046 0 129 ARG   A CA   1 ? 
ATOM   246  C  C    . ARG   A 1 17  ? -9.853  -15.243 10.447  1.000 19.419 0 129 ARG   A C    1 ? 
ATOM   247  O  O    . ARG   A 1 17  ? -8.961  -15.170 11.288  1.000 19.867 0 129 ARG   A O    1 ? 
ATOM   248  C  CB   . ARG   A 1 17  ? -10.747 -17.515 11.122  1.000 21.497 0 129 ARG   A CB   1 ? 
ATOM   249  C  CG   . ARG   A 1 17  ? -11.922 -18.312 11.673  1.000 23.238 0 129 ARG   A CG   1 ? 
ATOM   250  C  CD   . ARG   A 1 17  ? -11.475 -19.678 12.172  1.000 25.179 0 129 ARG   A CD   1 ? 
ATOM   251  N  NE   . ARG   A 1 17  ? -11.001 -20.517 11.066  1.000 28.027 0 129 ARG   A NE   1 ? 
ATOM   252  C  CZ   . ARG   A 1 17  ? -10.314 -21.653 11.170  1.000 30.303 0 129 ARG   A CZ   1 ? 
ATOM   253  N  NH1  . ARG   A 1 17  ? -9.933  -22.113 12.351  1.000 31.455 0 129 ARG   A NH1  1 ? 
ATOM   254  N  NH2  . ARG   A 1 17  ? -9.996  -22.326 10.077  1.000 31.947 0 129 ARG   A NH2  1 ? 
ATOM   255  H  H    . ARG   A 1 17  ? -12.739 -15.340 9.755   1.000 19.366 0 129 ARG   A H    1 c 
ATOM   256  H  HA   . ARG   A 1 17  ? -11.527 -15.680 11.551  1.000 20.013 0 129 ARG   A HA   1 c 
ATOM   257  H  HB2  . ARG   A 1 17  ? -10.388 -17.977 10.336  1.000 21.461 0 129 ARG   A HB2  1 c 
ATOM   258  H  HB3  . ARG   A 1 17  ? -10.039 -17.493 11.801  1.000 21.453 0 129 ARG   A HB3  1 c 
ATOM   259  H  HG2  . ARG   A 1 17  ? -12.334 -17.816 12.414  1.000 23.188 0 129 ARG   A HG2  1 c 
ATOM   260  H  HG3  . ARG   A 1 17  ? -12.595 -18.431 10.968  1.000 23.183 0 129 ARG   A HG3  1 c 
ATOM   261  H  HD2  . ARG   A 1 17  ? -10.754 -19.562 12.824  1.000 25.280 0 129 ARG   A HD2  1 c 
ATOM   262  H  HD3  . ARG   A 1 17  ? -12.223 -20.123 12.620  1.000 25.219 0 129 ARG   A HD3  1 c 
ATOM   263  H  HE   . ARG   A 1 17  ? -11.188 -20.247 10.259  1.000 27.730 0 129 ARG   A HE   1 c 
ATOM   264  H  HH11 . ARG   A 1 17  ? -9.326  -22.755 12.395  1.000 31.142 0 129 ARG   A HH11 1 c 
ATOM   265  H  HH12 . ARG   A 1 17  ? -10.282 -21.785 13.093  1.000 31.031 0 129 ARG   A HH12 1 c 
ATOM   266  H  HH21 . ARG   A 1 17  ? -9.489  -23.048 10.135  1.000 31.583 0 129 ARG   A HH21 1 c 
ATOM   267  H  HH22 . ARG   A 1 17  ? -10.289 -22.054 9.288   1.000 31.476 0 129 ARG   A HH22 1 c 
ATOM   268  N  N    . MET   A 1 18  ? -9.786  -14.602 9.273   1.000 18.621 0 130 MET   A N    1 ? 
ATOM   269  C  CA   . MET   A 1 18  ? -8.712  -13.668 8.965   1.000 18.725 0 130 MET   A CA   1 ? 
ATOM   270  C  C    . MET   A 1 18  ? -8.959  -12.357 9.712   1.000 18.616 0 130 MET   A C    1 ? 
ATOM   271  O  O    . MET   A 1 18  ? -10.025 -11.761 9.577   1.000 18.646 0 130 MET   A O    1 ? 
ATOM   272  C  CB   . MET   A 1 18  ? -8.659  -13.414 7.455   1.000 19.760 0 130 MET   A CB   1 ? 
ATOM   273  C  CG   . MET   A 1 18  ? -7.473  -12.610 6.971   1.000 20.906 0 130 MET   A CG   1 ? 
ATOM   274  S  SD   . MET   A 1 18  ? -7.397  -12.710 5.172   1.000 23.799 0 130 MET   A SD   1 ? 
ATOM   275  C  CE   . MET   A 1 18  ? -5.942  -11.723 4.801   1.000 24.017 0 130 MET   A CE   1 ? 
ATOM   276  H  H    . MET   A 1 18  ? -10.428 -14.751 8.641   1.000 18.787 0 130 MET   A H    1 c 
ATOM   277  H  HA   . MET   A 1 18  ? -7.854  -14.060 9.266   1.000 18.895 0 130 MET   A HA   1 c 
ATOM   278  H  HB2  . MET   A 1 18  ? -8.655  -14.282 6.998   1.000 19.751 0 130 MET   A HB2  1 c 
ATOM   279  H  HB3  . MET   A 1 18  ? -9.481  -12.948 7.193   1.000 19.712 0 130 MET   A HB3  1 c 
ATOM   280  H  HG2  . MET   A 1 18  ? -7.567  -11.675 7.242   1.000 20.986 0 130 MET   A HG2  1 c 
ATOM   281  H  HG3  . MET   A 1 18  ? -6.647  -12.966 7.353   1.000 21.035 0 130 MET   A HG3  1 c 
ATOM   282  H  HE1  . MET   A 1 18  ? -5.869  -11.602 3.837   1.000 24.016 0 130 MET   A HE1  1 c 
ATOM   283  H  HE2  . MET   A 1 18  ? -6.023  -10.851 5.230   1.000 23.958 0 130 MET   A HE2  1 c 
ATOM   284  H  HE3  . MET   A 1 18  ? -5.148  -12.179 5.134   1.000 24.045 0 130 MET   A HE3  1 c 
ATOM   285  N  N    . LEU   A 1 19  ? -7.968  -11.936 10.510  1.000 18.694 0 131 LEU   A N    1 ? 
ATOM   286  C  CA   . LEU   A 1 19  ? -8.042  -10.716 11.301  1.000 19.197 0 131 LEU   A CA   1 ? 
ATOM   287  C  C    . LEU   A 1 19  ? -7.020  -9.718  10.767  1.000 19.007 0 131 LEU   A C    1 ? 
ATOM   288  O  O    . LEU   A 1 19  ? -5.818  -9.954  10.866  1.000 19.260 0 131 LEU   A O    1 ? 
ATOM   289  C  CB   . LEU   A 1 19  ? -7.771  -11.048 12.768  1.000 20.437 0 131 LEU   A CB   1 ? 
ATOM   290  C  CG   . LEU   A 1 19  ? -7.779  -9.868  13.746  1.000 21.713 0 131 LEU   A CG   1 ? 
ATOM   291  C  CD1  . LEU   A 1 19  ? -9.169  -9.278  13.877  1.000 22.055 0 131 LEU   A CD1  1 ? 
ATOM   292  C  CD2  . LEU   A 1 19  ? -7.244  -10.295 15.102  1.000 22.616 0 131 LEU   A CD2  1 ? 
ATOM   293  H  H    . LEU   A 1 19  ? -7.206  -12.437 10.563  1.000 18.756 0 131 LEU   A H    1 c 
ATOM   294  H  HA   . LEU   A 1 19  ? -8.950  -10.332 11.214  1.000 19.258 0 131 LEU   A HA   1 c 
ATOM   295  H  HB2  . LEU   A 1 19  ? -8.448  -11.699 13.064  1.000 20.454 0 131 LEU   A HB2  1 c 
ATOM   296  H  HB3  . LEU   A 1 19  ? -6.893  -11.490 12.825  1.000 20.394 0 131 LEU   A HB3  1 c 
ATOM   297  H  HG   . LEU   A 1 19  ? -7.178  -9.164  13.390  1.000 21.642 0 131 LEU   A HG   1 c 
ATOM   298  H  HD11 . LEU   A 1 19  ? -9.448  -8.907  13.023  1.000 21.928 0 131 LEU   A HD11 1 c 
ATOM   299  H  HD12 . LEU   A 1 19  ? -9.160  -8.574  14.547  1.000 21.928 0 131 LEU   A HD12 1 c 
ATOM   300  H  HD13 . LEU   A 1 19  ? -9.793  -9.972  14.147  1.000 21.999 0 131 LEU   A HD13 1 c 
ATOM   301  H  HD21 . LEU   A 1 19  ? -6.334  -10.622 15.005  1.000 22.461 0 131 LEU   A HD21 1 c 
ATOM   302  H  HD22 . LEU   A 1 19  ? -7.804  -11.003 15.464  1.000 22.453 0 131 LEU   A HD22 1 c 
ATOM   303  H  HD23 . LEU   A 1 19  ? -7.252  -9.536  15.709  1.000 22.407 0 131 LEU   A HD23 1 c 
ATOM   304  N  N    . ILE   A 1 20  ? -7.514  -8.601  10.222  1.000 18.962 0 132 ILE   A N    1 ? 
ATOM   305  C  CA   . ILE   A 1 20  ? -6.672  -7.553  9.671   1.000 18.990 0 132 ILE   A CA   1 ? 
ATOM   306  C  C    . ILE   A 1 20  ? -6.571  -6.433  10.705  1.000 18.883 0 132 ILE   A C    1 ? 
ATOM   307  O  O    . ILE   A 1 20  ? -7.588  -5.925  11.157  1.000 18.851 0 132 ILE   A O    1 ? 
ATOM   308  C  CB   . ILE   A 1 20  ? -7.247  -7.075  8.325   1.000 20.430 0 132 ILE   A CB   1 ? 
ATOM   309  C  CG1  . ILE   A 1 20  ? -7.329  -8.241  7.326   1.000 21.374 0 132 ILE   A CG1  1 ? 
ATOM   310  C  CG2  . ILE   A 1 20  ? -6.441  -5.898  7.765   1.000 21.627 0 132 ILE   A CG2  1 ? 
ATOM   311  C  CD1  . ILE   A 1 20  ? -8.699  -8.459  6.717   1.000 21.969 0 132 ILE   A CD1  1 ? 
ATOM   312  H  H    . ILE   A 1 20  ? -8.421  -8.489  10.192  1.000 18.913 0 132 ILE   A H    1 c 
ATOM   313  H  HA   . ILE   A 1 20  ? -5.781  -7.918  9.513   1.000 19.132 0 132 ILE   A HA   1 c 
ATOM   314  H  HB   . ILE   A 1 20  ? -8.159  -6.761  8.488   1.000 20.449 0 132 ILE   A HB   1 c 
ATOM   315  H  HG12 . ILE   A 1 20  ? -6.692  -8.074  6.602   1.000 21.284 0 132 ILE   A HG12 1 c 
ATOM   316  H  HG13 . ILE   A 1 20  ? -7.053  -9.064  7.778   1.000 21.272 0 132 ILE   A HG13 1 c 
ATOM   317  H  HG21 . ILE   A 1 20  ? -6.778  -5.663  6.885   1.000 21.317 0 132 ILE   A HG21 1 c 
ATOM   318  H  HG22 . ILE   A 1 20  ? -5.504  -6.149  7.695   1.000 21.418 0 132 ILE   A HG22 1 c 
ATOM   319  H  HG23 . ILE   A 1 20  ? -6.526  -5.132  8.356   1.000 21.375 0 132 ILE   A HG23 1 c 
ATOM   320  H  HD11 . ILE   A 1 20  ? -9.325  -8.725  7.417   1.000 21.851 0 132 ILE   A HD11 1 c 
ATOM   321  H  HD12 . ILE   A 1 20  ? -8.650  -9.164  6.043   1.000 21.831 0 132 ILE   A HD12 1 c 
ATOM   322  H  HD13 . ILE   A 1 20  ? -9.011  -7.635  6.302   1.000 21.770 0 132 ILE   A HD13 1 c 
ATOM   323  N  N    . THR   A 1 21  ? -5.335  -6.068  11.074  1.000 18.570 0 133 THR   A N    1 ? 
ATOM   324  C  CA   . THR   A 1 21  ? -5.078  -5.058  12.091  1.000 18.479 0 133 THR   A CA   1 ? 
ATOM   325  C  C    . THR   A 1 21  ? -4.354  -3.871  11.452  1.000 17.898 0 133 THR   A C    1 ? 
ATOM   326  O  O    . THR   A 1 21  ? -3.272  -4.033  10.889  1.000 18.089 0 133 THR   A O    1 ? 
ATOM   327  C  CB   . THR   A 1 21  ? -4.256  -5.661  13.234  1.000 18.878 0 133 THR   A CB   1 ? 
ATOM   328  O  OG1  . THR   A 1 21  ? -5.021  -6.714  13.816  1.000 19.359 0 133 THR   A OG1  1 ? 
ATOM   329  C  CG2  . THR   A 1 21  ? -3.930  -4.646  14.316  1.000 19.046 0 133 THR   A CG2  1 ? 
ATOM   330  H  H    . THR   A 1 21  ? -4.619  -6.470  10.673  1.000 18.603 0 133 THR   A H    1 c 
ATOM   331  H  HA   . THR   A 1 21  ? -5.936  -4.751  12.454  1.000 18.471 0 133 THR   A HA   1 c 
ATOM   332  H  HB   . THR   A 1 21  ? -3.414  -6.030  12.875  1.000 18.904 0 133 THR   A HB   1 c 
ATOM   333  H  HG1  . THR   A 1 21  ? -5.755  -6.416  14.160  0.000 20.097 0 133 THR   A HG1  1 c 
ATOM   334  H  HG21 . THR   A 1 21  ? -3.478  -5.092  15.053  1.000 19.009 0 133 THR   A HG21 1 c 
ATOM   335  H  HG22 . THR   A 1 21  ? -4.751  -4.240  14.640  1.000 19.019 0 133 THR   A HG22 1 c 
ATOM   336  H  HG23 . THR   A 1 21  ? -3.349  -3.956  13.954  1.000 19.000 0 133 THR   A HG23 1 c 
ATOM   337  N  N    . ILE   A 1 22  ? -4.959  -2.681  11.559  1.000 17.431 0 134 ILE   A N    1 ? 
ATOM   338  C  CA   . ILE   A 1 22  ? -4.365  -1.433  11.103  1.000 17.475 0 134 ILE   A CA   1 ? 
ATOM   339  C  C    . ILE   A 1 22  ? -4.063  -0.577  12.331  1.000 17.130 0 134 ILE   A C    1 ? 
ATOM   340  O  O    . ILE   A 1 22  ? -4.970  -0.244  13.085  1.000 17.088 0 134 ILE   A O    1 ? 
ATOM   341  C  CB   . ILE   A 1 22  ? -5.308  -0.694  10.132  1.000 17.986 0 134 ILE   A CB   1 ? 
ATOM   342  C  CG1  . ILE   A 1 22  ? -5.782  -1.583  8.977   1.000 19.194 0 134 ILE   A CG1  1 ? 
ATOM   343  C  CG2  . ILE   A 1 22  ? -4.673  0.602   9.626   1.000 18.095 0 134 ILE   A CG2  1 ? 
ATOM   344  C  CD1  . ILE   A 1 22  ? -4.671  -2.231  8.174   1.000 20.180 0 134 ILE   A CD1  1 ? 
ATOM   345  H  H    . ILE   A 1 22  ? -5.790  -2.647  11.938  1.000 17.551 0 134 ILE   A H    1 c 
ATOM   346  H  HA   . ILE   A 1 22  ? -3.529  -1.630  10.639  1.000 17.500 0 134 ILE   A HA   1 c 
ATOM   347  H  HB   . ILE   A 1 22  ? -6.104  -0.444  10.643  1.000 18.040 0 134 ILE   A HB   1 c 
ATOM   348  H  HG12 . ILE   A 1 22  ? -6.356  -2.288  9.340   1.000 19.090 0 134 ILE   A HG12 1 c 
ATOM   349  H  HG13 . ILE   A 1 22  ? -6.327  -1.040  8.372   1.000 19.101 0 134 ILE   A HG13 1 c 
ATOM   350  H  HG21 . ILE   A 1 22  ? -5.262  1.019   8.974   1.000 18.077 0 134 ILE   A HG21 1 c 
ATOM   351  H  HG22 . ILE   A 1 22  ? -3.819  0.404   9.207   1.000 18.103 0 134 ILE   A HG22 1 c 
ATOM   352  H  HG23 . ILE   A 1 22  ? -4.534  1.212   10.369  1.000 18.065 0 134 ILE   A HG23 1 c 
ATOM   353  H  HD11 . ILE   A 1 22  ? -4.049  -1.545  7.867   1.000 19.955 0 134 ILE   A HD11 1 c 
ATOM   354  H  HD12 . ILE   A 1 22  ? -5.054  -2.690  7.402   1.000 19.936 0 134 ILE   A HD12 1 c 
ATOM   355  H  HD13 . ILE   A 1 22  ? -4.193  -2.875  8.728   1.000 19.890 0 134 ILE   A HD13 1 c 
ATOM   356  N  N    . LEU   A 1 23  ? -2.784  -0.225  12.518  1.000 16.923 0 135 LEU   A N    1 ? 
ATOM   357  C  CA   . LEU   A 1 23  ? -2.347  0.645   13.602  1.000 17.583 0 135 LEU   A CA   1 ? 
ATOM   358  C  C    . LEU   A 1 23  ? -1.886  1.977   13.022  1.000 17.456 0 135 LEU   A C    1 ? 
ATOM   359  O  O    . LEU   A 1 23  ? -1.169  2.012   12.024  1.000 16.553 0 135 LEU   A O    1 ? 
ATOM   360  C  CB   . LEU   A 1 23  ? -1.201  0.005   14.385  1.000 18.617 0 135 LEU   A CB   1 ? 
ATOM   361  C  CG   . LEU   A 1 23  ? -1.531  -1.254  15.190  1.000 19.558 0 135 LEU   A CG   1 ? 
ATOM   362  C  CD1  . LEU   A 1 23  ? -0.265  -1.922  15.692  1.000 20.093 0 135 LEU   A CD1  1 ? 
ATOM   363  C  CD2  . LEU   A 1 23  ? -2.436  -0.938  16.361  1.000 19.315 0 135 LEU   A CD2  1 ? 
ATOM   364  H  H    . LEU   A 1 23  ? -2.152  -0.545  11.941  1.000 17.047 0 135 LEU   A H    1 c 
ATOM   365  H  HA   . LEU   A 1 23  ? -3.111  0.805   14.210  1.000 17.593 0 135 LEU   A HA   1 c 
ATOM   366  H  HB2  . LEU   A 1 23  ? -0.483  -0.216  13.747  1.000 18.577 0 135 LEU   A HB2  1 c 
ATOM   367  H  HB3  . LEU   A 1 23  ? -0.840  0.680   15.004  1.000 18.566 0 135 LEU   A HB3  1 c 
ATOM   368  H  HG   . LEU   A 1 23  ? -2.004  -1.891  14.594  1.000 19.415 0 135 LEU   A HG   1 c 
ATOM   369  H  HD11 . LEU   A 1 23  ? 0.287   -2.185  14.938  1.000 19.961 0 135 LEU   A HD11 1 c 
ATOM   370  H  HD12 . LEU   A 1 23  ? -0.497  -2.710  16.212  1.000 19.984 0 135 LEU   A HD12 1 c 
ATOM   371  H  HD13 . LEU   A 1 23  ? 0.230   -1.301  16.253  1.000 20.000 0 135 LEU   A HD13 1 c 
ATOM   372  H  HD21 . LEU   A 1 23  ? -3.275  -0.572  16.035  1.000 19.237 0 135 LEU   A HD21 1 c 
ATOM   373  H  HD22 . LEU   A 1 23  ? -2.003  -0.287  16.940  1.000 19.385 0 135 LEU   A HD22 1 c 
ATOM   374  H  HD23 . LEU   A 1 23  ? -2.612  -1.750  16.864  1.000 19.369 0 135 LEU   A HD23 1 c 
ATOM   375  N  N    . GLY   A 1 24  ? -2.265  3.073   13.683  1.000 17.809 0 136 GLY   A N    1 ? 
ATOM   376  C  CA   . GLY   A 1 24  ? -1.755  4.379   13.311  1.000 18.553 0 136 GLY   A CA   1 ? 
ATOM   377  C  C    . GLY   A 1 24  ? -2.176  5.451   14.309  1.000 18.951 0 136 GLY   A C    1 ? 
ATOM   378  O  O    . GLY   A 1 24  ? -2.617  5.141   15.413  1.000 20.128 0 136 GLY   A O    1 ? 
ATOM   379  H  H    . GLY   A 1 24  ? -2.854  3.006   14.378  1.000 17.851 0 136 GLY   A H    1 c 
ATOM   380  H  HA2  . GLY   A 1 24  ? -0.771  4.341   13.265  1.000 18.513 0 136 GLY   A HA2  1 c 
ATOM   381  H  HA3  . GLY   A 1 24  ? -2.093  4.613   12.415  1.000 18.491 0 136 GLY   A HA3  1 c 
ATOM   382  N  N    . THR   A 1 25  ? -2.001  6.709   13.897  1.000 19.510 0 137 THR   A N    1 ? 
ATOM   383  C  CA   . THR   A 1 25  ? -2.419  7.866   14.671  1.000 19.749 0 137 THR   A CA   1 ? 
ATOM   384  C  C    . THR   A 1 25  ? -3.211  8.779   13.739  1.000 19.932 0 137 THR   A C    1 ? 
ATOM   385  O  O    . THR   A 1 25  ? -2.807  9.008   12.601  1.000 20.084 0 137 THR   A O    1 ? 
ATOM   386  C  CB   . THR   A 1 25  ? -1.191  8.553   15.274  1.000 20.524 0 137 THR   A CB   1 ? 
ATOM   387  O  OG1  . THR   A 1 25  ? -0.531  7.566   16.062  1.000 21.862 0 137 THR   A OG1  1 ? 
ATOM   388  C  CG2  . THR   A 1 25  ? -1.534  9.727   16.175  1.000 20.590 0 137 THR   A CG2  1 ? 
ATOM   389  H  H    . THR   A 1 25  ? -1.596  6.852   13.090  1.000 19.421 0 137 THR   A H    1 c 
ATOM   390  H  HA   . THR   A 1 25  ? -3.004  7.566   15.398  1.000 19.806 0 137 THR   A HA   1 c 
ATOM   391  H  HB   . THR   A 1 25  ? -0.587  8.856   14.554  1.000 20.620 0 137 THR   A HB   1 c 
ATOM   392  H  HG1  . THR   A 1 25  ? -1.018  7.272   16.702  0.000 23.598 0 137 THR   A HG1  1 c 
ATOM   393  H  HG21 . THR   A 1 25  ? -0.717  10.099  16.547  1.000 20.571 0 137 THR   A HG21 1 c 
ATOM   394  H  HG22 . THR   A 1 25  ? -2.109  9.424   16.898  1.000 20.569 0 137 THR   A HG22 1 c 
ATOM   395  H  HG23 . THR   A 1 25  ? -1.995  10.410  15.660  1.000 20.569 0 137 THR   A HG23 1 c 
ATOM   396  N  N    . VAL   A 1 26  ? -4.362  9.263   14.217  1.000 19.789 0 138 VAL   A N    1 ? 
ATOM   397  C  CA   . VAL   A 1 26  ? -5.164  10.205  13.455  1.000 20.199 0 138 VAL   A CA   1 ? 
ATOM   398  C  C    . VAL   A 1 26  ? -4.438  11.546  13.468  1.000 21.057 0 138 VAL   A C    1 ? 
ATOM   399  O  O    . VAL   A 1 26  ? -3.983  11.991  14.520  1.000 21.518 0 138 VAL   A O    1 ? 
ATOM   400  C  CB   . VAL   A 1 26  ? -6.595  10.344  14.008  1.000 20.440 0 138 VAL   A CB   1 ? 
ATOM   401  C  CG1  . VAL   A 1 26  ? -7.426  11.338  13.205  1.000 20.593 0 138 VAL   A CG1  1 ? 
ATOM   402  C  CG2  . VAL   A 1 26  ? -7.303  8.999   14.080  1.000 20.662 0 138 VAL   A CG2  1 ? 
ATOM   403  H  H    . VAL   A 1 26  ? -4.650  9.006   15.045  1.000 19.911 0 138 VAL   A H    1 c 
ATOM   404  H  HA   . VAL   A 1 26  ? -5.219  9.888   12.533  1.000 20.310 0 138 VAL   A HA   1 c 
ATOM   405  H  HB   . VAL   A 1 26  ? -6.518  10.691  14.927  1.000 20.460 0 138 VAL   A HB   1 c 
ATOM   406  H  HG11 . VAL   A 1 26  ? -7.446  11.066  12.272  1.000 20.556 0 138 VAL   A HG11 1 c 
ATOM   407  H  HG12 . VAL   A 1 26  ? -7.034  12.223  13.274  1.000 20.639 0 138 VAL   A HG12 1 c 
ATOM   408  H  HG13 . VAL   A 1 26  ? -8.333  11.360  13.554  1.000 20.579 0 138 VAL   A HG13 1 c 
ATOM   409  H  HG21 . VAL   A 1 26  ? -8.222  9.131   14.367  1.000 20.618 0 138 VAL   A HG21 1 c 
ATOM   410  H  HG22 . VAL   A 1 26  ? -6.847  8.424   14.716  1.000 20.596 0 138 VAL   A HG22 1 c 
ATOM   411  H  HG23 . VAL   A 1 26  ? -7.296  8.581   13.202  1.000 20.615 0 138 VAL   A HG23 1 c 
ATOM   412  N  N    . LYS   A 1 27  ? -4.341  12.184  12.296  1.000 21.928 0 139 LYS   A N    1 ? 
ATOM   413  C  CA   . LYS   A 1 27  ? -3.700  13.485  12.196  1.000 23.441 0 139 LYS   A CA   1 ? 
ATOM   414  C  C    . LYS   A 1 27  ? -4.523  14.519  12.960  1.000 24.474 0 139 LYS   A C    1 ? 
ATOM   415  O  O    . LYS   A 1 27  ? -5.724  14.341  13.158  1.000 23.999 0 139 LYS   A O    1 ? 
ATOM   416  C  CB   . LYS   A 1 27  ? -3.538  13.921  10.735  1.000 24.865 0 139 LYS   A CB   1 ? 
ATOM   417  C  CG   . LYS   A 1 27  ? -2.528  13.111  9.938   1.000 26.256 0 139 LYS   A CG   1 ? 
ATOM   418  C  CD   . LYS   A 1 27  ? -2.199  13.702  8.573   1.000 28.168 0 139 LYS   A CD   1 ? 
ATOM   419  C  CE   . LYS   A 1 27  ? -1.157  12.918  7.842   1.000 29.444 0 139 LYS   A CE   1 ? 
ATOM   420  N  NZ   . LYS   A 1 27  ? -0.774  13.576  6.590   1.000 30.691 0 139 LYS   A NZ   1 ? 
ATOM   421  H  H    . LYS   A 1 27  ? -4.684  11.800  11.540  1.000 21.983 0 139 LYS   A H    1 c 
ATOM   422  H  HA   . LYS   A 1 27  ? -2.802  13.419  12.610  1.000 23.502 0 139 LYS   A HA   1 c 
ATOM   423  H  HB2  . LYS   A 1 27  ? -4.409  13.854  10.290  1.000 24.782 0 139 LYS   A HB2  1 c 
ATOM   424  H  HB3  . LYS   A 1 27  ? -3.264  14.863  10.715  1.000 24.811 0 139 LYS   A HB3  1 c 
ATOM   425  H  HG2  . LYS   A 1 27  ? -1.700  13.041  10.463  1.000 26.303 0 139 LYS   A HG2  1 c 
ATOM   426  H  HG3  . LYS   A 1 27  ? -2.881  12.203  9.816   1.000 26.258 0 139 LYS   A HG3  1 c 
ATOM   427  H  HD2  . LYS   A 1 27  ? -3.017  13.731  8.031   1.000 27.977 0 139 LYS   A HD2  1 c 
ATOM   428  H  HD3  . LYS   A 1 27  ? -1.882  14.624  8.691   1.000 28.009 0 139 LYS   A HD3  1 c 
ATOM   429  H  HE2  . LYS   A 1 27  ? -0.368  12.820  8.404   1.000 29.421 0 139 LYS   A HE2  1 c 
ATOM   430  H  HE3  . LYS   A 1 27  ? -1.500  12.029  7.641   1.000 29.389 0 139 LYS   A HE3  1 c 
ATOM   431  H  HZ1  . LYS   A 1 27  ? -0.447  14.402  6.766   1.000 30.429 0 139 LYS   A HZ1  1 c 
ATOM   432  H  HZ2  . LYS   A 1 27  ? -1.497  13.650  6.049   1.000 30.411 0 139 LYS   A HZ2  1 c 
ATOM   433  H  HZ3  . LYS   A 1 27  ? -0.137  13.087  6.171   1.000 30.452 0 139 LYS   A HZ3  1 c 
ATOM   434  N  N    . PRO   A 1 28  ? -3.905  15.631  13.419  1.000 26.003 0 140 PRO   A N    1 ? 
ATOM   435  C  CA   . PRO   A 1 28  ? -4.670  16.749  13.966  1.000 26.936 0 140 PRO   A CA   1 ? 
ATOM   436  C  C    . PRO   A 1 28  ? -5.478  17.354  12.819  1.000 28.079 0 140 PRO   A C    1 ? 
ATOM   437  O  O    . PRO   A 1 28  ? -5.013  17.379  11.682  1.000 30.039 0 140 PRO   A O    1 ? 
ATOM   438  C  CB   . PRO   A 1 28  ? -3.634  17.718  14.567  1.000 26.937 0 140 PRO   A CB   1 ? 
ATOM   439  C  CG   . PRO   A 1 28  ? -2.283  17.233  14.072  1.000 26.994 0 140 PRO   A CG   1 ? 
ATOM   440  C  CD   . PRO   A 1 28  ? -2.455  15.873  13.415  1.000 26.500 0 140 PRO   A CD   1 ? 
ATOM   441  H  HA   . PRO   A 1 28  ? -5.276  16.420  14.678  1.000 26.941 0 140 PRO   A HA   1 c 
ATOM   442  H  HB2  . PRO   A 1 28  ? -3.803  18.642  14.267  1.000 26.944 0 140 PRO   A HB2  1 c 
ATOM   443  H  HB3  . PRO   A 1 28  ? -3.670  17.700  15.553  1.000 26.955 0 140 PRO   A HB3  1 c 
ATOM   444  H  HG2  . PRO   A 1 28  ? -1.913  17.871  13.427  1.000 26.882 0 140 PRO   A HG2  1 c 
ATOM   445  H  HG3  . PRO   A 1 28  ? -1.656  17.163  14.822  1.000 26.870 0 140 PRO   A HG3  1 c 
ATOM   446  H  HD2  . PRO   A 1 28  ? -2.106  15.884  12.496  1.000 26.470 0 140 PRO   A HD2  1 c 
ATOM   447  H  HD3  . PRO   A 1 28  ? -1.983  15.178  13.924  1.000 26.448 0 140 PRO   A HD3  1 c 
ATOM   448  N  N    . ASN   A 1 29  ? -6.707  17.787  13.120  1.000 29.559 0 141 ASN   A N    1 ? 
ATOM   449  C  CA   . ASN   A 1 29  ? -7.597  18.391  12.137  1.000 30.941 0 141 ASN   A CA   1 ? 
ATOM   450  C  C    . ASN   A 1 29  ? -7.909  17.412  11.005  1.000 29.199 0 141 ASN   A C    1 ? 
ATOM   451  O  O    . ASN   A 1 29  ? -8.060  17.822  9.855   1.000 29.326 0 141 ASN   A O    1 ? 
ATOM   452  C  CB   . ASN   A 1 29  ? -7.035  19.681  11.542  1.000 32.899 0 141 ASN   A CB   1 ? 
ATOM   453  C  CG   . ASN   A 1 29  ? -6.479  20.633  12.575  1.000 35.115 0 141 ASN   A CG   1 ? 
ATOM   454  O  OD1  . ASN   A 1 29  ? -5.439  21.257  12.336  1.000 38.137 0 141 ASN   A OD1  1 ? 
ATOM   455  N  ND2  . ASN   A 1 29  ? -7.158  20.790  13.702  1.000 36.536 0 141 ASN   A ND2  1 ? 
ATOM   456  H  H    . ASN   A 1 29  ? -7.004  17.705  13.980  1.000 29.455 0 141 ASN   A H    1 c 
ATOM   457  H  HA   . ASN   A 1 29  ? -8.441  18.618  12.588  1.000 30.714 0 141 ASN   A HA   1 c 
ATOM   458  H  HB2  . ASN   A 1 29  ? -6.325  19.456  10.907  1.000 32.853 0 141 ASN   A HB2  1 c 
ATOM   459  H  HB3  . ASN   A 1 29  ? -7.744  20.136  11.046  1.000 32.854 0 141 ASN   A HB3  1 c 
ATOM   460  H  HD21 . ASN   A 1 29  ? -7.981  20.472  13.783  1.000 36.172 0 141 ASN   A HD21 1 c 
ATOM   461  H  HD22 . ASN   A 1 29  ? -6.784  21.223  14.381  1.000 36.217 0 141 ASN   A HD22 1 c 
ATOM   462  N  N    . ALA   A 1 30  ? -8.013  16.119  11.335  1.000 27.534 0 142 ALA   A N    1 ? 
ATOM   463  C  CA   . ALA   A 1 30  ? -8.380  15.101  10.363  1.000 25.631 0 142 ALA   A CA   1 ? 
ATOM   464  C  C    . ALA   A 1 30  ? -9.769  15.396  9.801   1.000 24.552 0 142 ALA   A C    1 ? 
ATOM   465  O  O    . ALA   A 1 30  ? -10.643 15.868  10.525  1.000 24.167 0 142 ALA   A O    1 ? 
ATOM   466  C  CB   . ALA   A 1 30  ? -8.337  13.732  11.007  1.000 25.606 0 142 ALA   A CB   1 ? 
ATOM   467  H  H    . ALA   A 1 30  ? -7.859  15.864  12.199  1.000 27.438 0 142 ALA   A H    1 c 
ATOM   468  H  HA   . ALA   A 1 30  ? -7.722  15.133  9.614   1.000 25.728 0 142 ALA   A HA   1 c 
ATOM   469  H  HB1  . ALA   A 1 30  ? -7.432  13.537  11.302  1.000 25.550 0 142 ALA   A HB1  1 c 
ATOM   470  H  HB2  . ALA   A 1 30  ? -8.935  13.712  11.773  1.000 25.594 0 142 ALA   A HB2  1 c 
ATOM   471  H  HB3  . ALA   A 1 30  ? -8.616  13.059  10.364  1.000 25.611 0 142 ALA   A HB3  1 c 
ATOM   472  N  N    . ASN   A 1 31  ? -9.950  15.121  8.502   1.000 23.567 0 143 ASN   A N    1 ? 
ATOM   473  C  CA   . ASN   A 1 31  ? -11.247 15.225  7.851   1.000 23.725 0 143 ASN   A CA   1 ? 
ATOM   474  C  C    . ASN   A 1 31  ? -11.826 13.840  7.568   1.000 22.765 0 143 ASN   A C    1 ? 
ATOM   475  O  O    . ASN   A 1 31  ? -13.029 13.638  7.718   1.000 22.208 0 143 ASN   A O    1 ? 
ATOM   476  C  CB   . ASN   A 1 31  ? -11.169 16.020  6.553   1.000 24.938 0 143 ASN   A CB   1 ? 
ATOM   477  C  CG   . ASN   A 1 31  ? -10.831 17.472  6.788   1.000 26.317 0 143 ASN   A CG   1 ? 
ATOM   478  O  OD1  . ASN   A 1 31  ? -11.508 18.149  7.570   1.000 28.425 0 143 ASN   A OD1  1 ? 
ATOM   479  N  ND2  . ASN   A 1 31  ? -9.794  17.968  6.130   1.000 27.865 0 143 ASN   A ND2  1 ? 
ATOM   480  H  H    . ASN   A 1 31  ? -9.229  14.872  7.999   1.000 23.791 0 143 ASN   A H    1 c 
ATOM   481  H  HA   . ASN   A 1 31  ? -11.862 15.701  8.453   1.000 23.741 0 143 ASN   A HA   1 c 
ATOM   482  H  HB2  . ASN   A 1 31  ? -10.491 15.621  5.973   1.000 24.939 0 143 ASN   A HB2  1 c 
ATOM   483  H  HB3  . ASN   A 1 31  ? -12.030 15.965  6.091   1.000 24.896 0 143 ASN   A HB3  1 c 
ATOM   484  H  HD21 . ASN   A 1 31  ? -9.349  17.466  5.548   1.000 27.493 0 143 ASN   A HD21 1 c 
ATOM   485  H  HD22 . ASN   A 1 31  ? -9.543  18.807  6.271   1.000 27.534 0 143 ASN   A HD22 1 c 
ATOM   486  N  N    . ARG   A 1 32  ? -10.978 12.894  7.141   1.000 21.785 0 144 ARG   A N    1 ? 
ATOM   487  C  CA   . ARG   A 1 32  ? -11.463 11.617  6.637   1.000 21.572 0 144 ARG   A CA   1 ? 
ATOM   488  C  C    . ARG   A 1 32  ? -10.394 10.530  6.744   1.000 20.135 0 144 ARG   A C    1 ? 
ATOM   489  O  O    . ARG   A 1 32  ? -9.199  10.813  6.678   1.000 20.692 0 144 ARG   A O    1 ? 
ATOM   490  C  CB   . ARG   A 1 32  ? -11.883 11.780  5.172   1.000 23.158 0 144 ARG   A CB   1 ? 
ATOM   491  C  CG   . ARG   A 1 32  ? -10.746 12.191  4.246   1.000 25.098 0 144 ARG   A CG   1 ? 
ATOM   492  C  CD   . ARG   A 1 32  ? -11.217 12.543  2.846   1.000 27.129 0 144 ARG   A CD   1 ? 
ATOM   493  N  NE   . ARG   A 1 32  ? -10.085 12.859  1.968   1.000 29.503 0 144 ARG   A NE   1 ? 
ATOM   494  C  CZ   . ARG   A 1 32  ? -10.162 13.085  0.659   1.000 30.927 0 144 ARG   A CZ   1 ? 
ATOM   495  N  NH1  . ARG   A 1 32  ? -11.331 13.074  0.043   1.000 31.536 0 144 ARG   A NH1  1 ? 
ATOM   496  N  NH2  . ARG   A 1 32  ? -9.059  13.319  -0.032  1.000 31.872 0 144 ARG   A NH2  1 ? 
ATOM   497  H  H    . ARG   A 1 32  ? -10.078 13.048  7.158   1.000 21.901 0 144 ARG   A H    1 c 
ATOM   498  H  HA   . ARG   A 1 32  ? -12.249 11.347  7.173   1.000 21.556 0 144 ARG   A HA   1 c 
ATOM   499  H  HB2  . ARG   A 1 32  ? -12.256 10.930  4.854   1.000 23.101 0 144 ARG   A HB2  1 c 
ATOM   500  H  HB3  . ARG   A 1 32  ? -12.592 12.456  5.119   1.000 23.159 0 144 ARG   A HB3  1 c 
ATOM   501  H  HG2  . ARG   A 1 32  ? -10.282 12.968  4.629   1.000 25.012 0 144 ARG   A HG2  1 c 
ATOM   502  H  HG3  . ARG   A 1 32  ? -10.097 11.456  4.186   1.000 24.979 0 144 ARG   A HG3  1 c 
ATOM   503  H  HD2  . ARG   A 1 32  ? -11.718 11.790  2.471   1.000 27.109 0 144 ARG   A HD2  1 c 
ATOM   504  H  HD3  . ARG   A 1 32  ? -11.817 13.316  2.890   1.000 27.091 0 144 ARG   A HD3  1 c 
ATOM   505  H  HE   . ARG   A 1 32  ? -9.295  12.903  2.333   1.000 29.298 0 144 ARG   A HE   1 c 
ATOM   506  H  HH11 . ARG   A 1 32  ? -11.368 12.877  -0.821  1.000 31.371 0 144 ARG   A HH11 1 c 
ATOM   507  H  HH12 . ARG   A 1 32  ? -12.072 13.266  0.490   1.000 31.369 0 144 ARG   A HH12 1 c 
ATOM   508  H  HH21 . ARG   A 1 32  ? -9.113  13.527  -0.890  1.000 31.623 0 144 ARG   A HH21 1 c 
ATOM   509  H  HH22 . ARG   A 1 32  ? -8.269  13.269  0.363   1.000 31.637 0 144 ARG   A HH22 1 c 
ATOM   510  N  N    . ILE   A 1 33  ? -10.864 9.283   6.889   1.000 18.722 0 145 ILE   A N    1 ? 
ATOM   511  C  CA   . ILE   A 1 33  ? -10.057 8.076   6.777   1.000 18.316 0 145 ILE   A CA   1 ? 
ATOM   512  C  C    . ILE   A 1 33  ? -10.816 7.108   5.869   1.000 17.822 0 145 ILE   A C    1 ? 
ATOM   513  O  O    . ILE   A 1 33  ? -12.043 7.104   5.885   1.000 17.551 0 145 ILE   A O    1 ? 
ATOM   514  C  CB   . ILE   A 1 33  ? -9.799  7.454   8.164   1.000 19.492 0 145 ILE   A CB   1 ? 
ATOM   515  C  CG1  . ILE   A 1 33  ? -9.179  8.452   9.148   1.000 20.240 0 145 ILE   A CG1  1 ? 
ATOM   516  C  CG2  . ILE   A 1 33  ? -8.947  6.187   8.047   1.000 19.804 0 145 ILE   A CG2  1 ? 
ATOM   517  C  CD1  . ILE   A 1 33  ? -9.204  7.989   10.596  1.000 20.584 0 145 ILE   A CD1  1 ? 
ATOM   518  H  H    . ILE   A 1 33  ? -11.753 9.182   7.074   1.000 18.810 0 145 ILE   A H    1 c 
ATOM   519  H  HA   . ILE   A 1 33  ? -9.200  8.299   6.363   1.000 18.484 0 145 ILE   A HA   1 c 
ATOM   520  H  HB   . ILE   A 1 33  ? -10.667 7.190   8.529   1.000 19.459 0 145 ILE   A HB   1 c 
ATOM   521  H  HG12 . ILE   A 1 33  ? -8.251  8.616   8.886   1.000 20.183 0 145 ILE   A HG12 1 c 
ATOM   522  H  HG13 . ILE   A 1 33  ? -9.662  9.300   9.084   1.000 20.200 0 145 ILE   A HG13 1 c 
ATOM   523  H  HG21 . ILE   A 1 33  ? -8.769  5.830   8.933   1.000 19.734 0 145 ILE   A HG21 1 c 
ATOM   524  H  HG22 . ILE   A 1 33  ? -8.105  6.400   7.611   1.000 19.767 0 145 ILE   A HG22 1 c 
ATOM   525  H  HG23 . ILE   A 1 33  ? -9.422  5.520   7.524   1.000 19.739 0 145 ILE   A HG23 1 c 
ATOM   526  H  HD11 . ILE   A 1 33  ? -10.125 7.805   10.862  1.000 20.534 0 145 ILE   A HD11 1 c 
ATOM   527  H  HD12 . ILE   A 1 33  ? -8.837  8.691   11.167  1.000 20.518 0 145 ILE   A HD12 1 c 
ATOM   528  H  HD13 . ILE   A 1 33  ? -8.670  7.179   10.698  1.000 20.510 0 145 ILE   A HD13 1 c 
ATOM   529  N  N    . ALA   A 1 34  ? -10.099 6.289   5.089   1.000 17.305 0 146 ALA   A N    1 ? 
ATOM   530  C  CA   . ALA   A 1 34  ? -10.745 5.274   4.268   1.000 17.117 0 146 ALA   A CA   1 ? 
ATOM   531  C  C    . ALA   A 1 34  ? -9.939  3.977   4.240   1.000 16.691 0 146 ALA   A C    1 ? 
ATOM   532  O  O    . ALA   A 1 34  ? -8.728  3.985   4.007   1.000 16.487 0 146 ALA   A O    1 ? 
ATOM   533  C  CB   . ALA   A 1 34  ? -10.975 5.794   2.868   1.000 17.628 0 146 ALA   A CB   1 ? 
ATOM   534  H  H    . ALA   A 1 34  ? -9.188  6.363   5.068   1.000 17.365 0 146 ALA   A H    1 c 
ATOM   535  H  HA   . ALA   A 1 34  ? -11.630 5.073   4.676   1.000 17.143 0 146 ALA   A HA   1 c 
ATOM   536  H  HB1  . ALA   A 1 34  ? -11.555 6.572   2.899   1.000 17.540 0 146 ALA   A HB1  1 c 
ATOM   537  H  HB2  . ALA   A 1 34  ? -10.125 6.043   2.468   1.000 17.561 0 146 ALA   A HB2  1 c 
ATOM   538  H  HB3  . ALA   A 1 34  ? -11.394 5.103   2.327   1.000 17.533 0 146 ALA   A HB3  1 c 
ATOM   539  N  N    . LEU   A 1 35  ? -10.643 2.864   4.483   1.000 16.768 0 147 LEU   A N    1 ? 
ATOM   540  C  CA   . LEU   A 1 35  ? -10.185 1.527   4.137   1.000 17.077 0 147 LEU   A CA   1 ? 
ATOM   541  C  C    . LEU   A 1 35  ? -11.007 1.040   2.947   1.000 16.989 0 147 LEU   A C    1 ? 
ATOM   542  O  O    . LEU   A 1 35  ? -12.233 1.130   2.979   1.000 17.004 0 147 LEU   A O    1 ? 
ATOM   543  C  CB   . LEU   A 1 35  ? -10.341 0.564   5.314   1.000 18.081 0 147 LEU   A CB   1 ? 
ATOM   544  C  CG   . LEU   A 1 35  ? -9.673  0.959   6.633   1.000 19.489 0 147 LEU   A CG   1 ? 
ATOM   545  C  CD1  . LEU   A 1 35  ? -9.937  -0.089  7.705   1.000 20.010 0 147 LEU   A CD1  1 ? 
ATOM   546  C  CD2  . LEU   A 1 35  ? -8.188  1.170   6.465   1.000 20.134 0 147 LEU   A CD2  1 ? 
ATOM   547  H  H    . LEU   A 1 35  ? -11.454 2.945   4.896   1.000 16.809 0 147 LEU   A H    1 c 
ATOM   548  H  HA   . LEU   A 1 35  ? -9.233  1.574   3.876   1.000 17.139 0 147 LEU   A HA   1 c 
ATOM   549  H  HB2  . LEU   A 1 35  ? -11.303 0.441   5.481   1.000 18.043 0 147 LEU   A HB2  1 c 
ATOM   550  H  HB3  . LEU   A 1 35  ? -9.985  -0.312  5.039   1.000 18.099 0 147 LEU   A HB3  1 c 
ATOM   551  H  HG   . LEU   A 1 35  ? -10.072 1.815   6.937   1.000 19.381 0 147 LEU   A HG   1 c 
ATOM   552  H  HD11 . LEU   A 1 35  ? -10.894 -0.167  7.854   1.000 19.909 0 147 LEU   A HD11 1 c 
ATOM   553  H  HD12 . LEU   A 1 35  ? -9.501  0.176   8.532   1.000 19.869 0 147 LEU   A HD12 1 c 
ATOM   554  H  HD13 . LEU   A 1 35  ? -9.584  -0.947  7.414   1.000 19.914 0 147 LEU   A HD13 1 c 
ATOM   555  H  HD21 . LEU   A 1 35  ? -8.029  1.904   5.847   1.000 19.942 0 147 LEU   A HD21 1 c 
ATOM   556  H  HD22 . LEU   A 1 35  ? -7.783  0.359   6.115   1.000 20.011 0 147 LEU   A HD22 1 c 
ATOM   557  H  HD23 . LEU   A 1 35  ? -7.790  1.383   7.326   1.000 19.974 0 147 LEU   A HD23 1 c 
ATOM   558  N  N    . ASP   A 1 36  ? -10.333 0.482   1.934   1.000 16.616 0 148 ASP   A N    1 ? 
ATOM   559  C  CA   . ASP   A 1 36  ? -10.989 -0.023  0.736   1.000 16.966 0 148 ASP   A CA   1 ? 
ATOM   560  C  C    . ASP   A 1 36  ? -10.538 -1.454  0.446   1.000 16.250 0 148 ASP   A C    1 ? 
ATOM   561  O  O    . ASP   A 1 36  ? -9.442  -1.664  -0.071  1.000 15.820 0 148 ASP   A O    1 ? 
ATOM   562  C  CB   . ASP   A 1 36  ? -10.708 0.880   -0.454  1.000 18.256 0 148 ASP   A CB   1 ? 
ATOM   563  C  CG   . ASP   A 1 36  ? -11.389 2.241   -0.414  1.000 19.551 0 148 ASP   A CG   1 ? 
ATOM   564  O  OD1  . ASP   A 1 36  ? -12.604 2.297   -0.703  1.000 20.815 0 148 ASP   A OD1  1 ? 
ATOM   565  O  OD2  . ASP   A 1 36  ? -10.708 3.232   -0.074  1.000 21.464 0 148 ASP   A OD2  1 ? 
ATOM   566  H  H    . ASP   A 1 36  ? -9.423  0.412   1.993   1.000 16.724 0 148 ASP   A H    1 c 
ATOM   567  H  HA   . ASP   A 1 36  ? -11.961 -0.025  0.887   1.000 16.952 0 148 ASP   A HA   1 c 
ATOM   568  H  HB2  . ASP   A 1 36  ? -9.740  1.025   -0.515  1.000 18.206 0 148 ASP   A HB2  1 c 
ATOM   569  H  HB3  . ASP   A 1 36  ? -10.994 0.423   -1.272  1.000 18.187 0 148 ASP   A HB3  1 c 
ATOM   570  N  N    . PHE   A 1 37  ? -11.386 -2.433  0.789   1.000 15.278 0 149 PHE   A N    1 ? 
ATOM   571  C  CA   . PHE   A 1 37  ? -11.176 -3.824  0.405   1.000 15.520 0 149 PHE   A CA   1 ? 
ATOM   572  C  C    . PHE   A 1 37  ? -11.648 -4.014  -1.031  1.000 15.550 0 149 PHE   A C    1 ? 
ATOM   573  O  O    . PHE   A 1 37  ? -12.840 -3.876  -1.295  1.000 15.610 0 149 PHE   A O    1 ? 
ATOM   574  C  CB   . PHE   A 1 37  ? -11.938 -4.763  1.345   1.000 16.215 0 149 PHE   A CB   1 ? 
ATOM   575  C  CG   . PHE   A 1 37  ? -11.377 -4.803  2.757   1.000 17.363 0 149 PHE   A CG   1 ? 
ATOM   576  C  CD1  . PHE   A 1 37  ? -11.796 -3.891  3.720   1.000 17.782 0 149 PHE   A CD1  1 ? 
ATOM   577  C  CD2  . PHE   A 1 37  ? -10.411 -5.740  3.108   1.000 17.921 0 149 PHE   A CD2  1 ? 
ATOM   578  C  CE1  . PHE   A 1 37  ? -11.269 -3.925  5.002   1.000 18.473 0 149 PHE   A CE1  1 ? 
ATOM   579  C  CE2  . PHE   A 1 37  ? -9.891  -5.769  4.391   1.000 18.529 0 149 PHE   A CE2  1 ? 
ATOM   580  C  CZ   . PHE   A 1 37  ? -10.321 -4.865  5.335   1.000 18.846 0 149 PHE   A CZ   1 ? 
ATOM   581  H  H    . PHE   A 1 37  ? -12.124 -2.225  1.286   1.000 15.525 0 149 PHE   A H    1 c 
ATOM   582  H  HA   . PHE   A 1 37  ? -10.205 -4.032  0.461   1.000 15.528 0 149 PHE   A HA   1 c 
ATOM   583  H  HB2  . PHE   A 1 37  ? -12.877 -4.474  1.383   1.000 16.273 0 149 PHE   A HB2  1 c 
ATOM   584  H  HB3  . PHE   A 1 37  ? -11.915 -5.670  0.968   1.000 16.253 0 149 PHE   A HB3  1 c 
ATOM   585  H  HD1  . PHE   A 1 37  ? -12.447 -3.244  3.498   1.000 17.773 0 149 PHE   A HD1  1 c 
ATOM   586  H  HD2  . PHE   A 1 37  ? -10.111 -6.363  2.465   1.000 17.921 0 149 PHE   A HD2  1 c 
ATOM   587  H  HE1  . PHE   A 1 37  ? -11.566 -3.305  5.649   1.000 18.369 0 149 PHE   A HE1  1 c 
ATOM   588  H  HE2  . PHE   A 1 37  ? -9.239  -6.411  4.616   1.000 18.492 0 149 PHE   A HE2  1 c 
ATOM   589  H  HZ   . PHE   A 1 37  ? -9.964  -4.888  6.208   1.000 18.663 0 149 PHE   A HZ   1 c 
ATOM   590  N  N    . GLN   A 1 38  ? -10.724 -4.335  -1.947  1.000 15.679 0 150 GLN   A N    1 ? 
ATOM   591  C  CA   . GLN   A 1 38  ? -11.023 -4.298  -3.372  1.000 16.640 0 150 GLN   A CA   1 ? 
ATOM   592  C  C    . GLN   A 1 38  ? -10.972 -5.685  -4.006  1.000 16.006 0 150 GLN   A C    1 ? 
ATOM   593  O  O    . GLN   A 1 38  ? -10.115 -6.497  -3.674  1.000 16.445 0 150 GLN   A O    1 ? 
ATOM   594  C  CB   . GLN   A 1 38  ? -10.076 -3.367  -4.125  1.000 18.677 0 150 GLN   A CB   1 ? 
ATOM   595  C  CG   . GLN   A 1 38  ? -10.147 -1.926  -3.630  1.000 20.854 0 150 GLN   A CG   1 ? 
ATOM   596  C  CD   . GLN   A 1 38  ? -10.189 -0.887  -4.730  1.000 22.716 0 150 GLN   A CD   1 ? 
ATOM   597  O  OE1  . GLN   A 1 38  ? -10.430 -1.181  -5.907  1.000 25.475 0 150 GLN   A OE1  1 ? 
ATOM   598  N  NE2  . GLN   A 1 38  ? -9.985  0.363   -4.343  1.000 24.157 0 150 GLN   A NE2  1 ? 
ATOM   599  H  H    . GLN   A 1 38  ? -9.887  -4.584  -1.678  1.000 15.850 0 150 GLN   A H    1 c 
ATOM   600  H  HA   . GLN   A 1 38  ? -11.938 -3.942  -3.481  1.000 16.607 0 150 GLN   A HA   1 c 
ATOM   601  H  HB2  . GLN   A 1 38  ? -9.158  -3.696  -4.021  1.000 18.603 0 150 GLN   A HB2  1 c 
ATOM   602  H  HB3  . GLN   A 1 38  ? -10.297 -3.395  -5.078  1.000 18.579 0 150 GLN   A HB3  1 c 
ATOM   603  H  HG2  . GLN   A 1 38  ? -10.946 -1.818  -3.071  1.000 20.671 0 150 GLN   A HG2  1 c 
ATOM   604  H  HG3  . GLN   A 1 38  ? -9.366  -1.745  -3.064  1.000 20.727 0 150 GLN   A HG3  1 c 
ATOM   605  H  HE21 . GLN   A 1 38  ? -9.831  0.546   -3.488  1.000 23.717 0 150 GLN   A HE21 1 c 
ATOM   606  H  HE22 . GLN   A 1 38  ? -10.001 1.018   -4.940  1.000 23.800 0 150 GLN   A HE22 1 c 
ATOM   607  N  N    . ARG   A 1 39  ? -11.910 -5.909  -4.936  1.000 15.461 0 151 ARG   A N    1 ? 
ATOM   608  C  CA   . ARG   A 1 39  ? -11.898 -7.028  -5.865  1.000 15.491 0 151 ARG   A CA   1 ? 
ATOM   609  C  C    . ARG   A 1 39  ? -11.741 -6.445  -7.266  1.000 15.339 0 151 ARG   A C    1 ? 
ATOM   610  O  O    . ARG   A 1 39  ? -12.719 -6.030  -7.885  1.000 15.400 0 151 ARG   A O    1 ? 
ATOM   611  C  CB   . ARG   A 1 39  ? -13.193 -7.847  -5.738  1.000 16.251 0 151 ARG   A CB   1 ? 
ATOM   612  C  CG   . ARG   A 1 39  ? -13.314 -8.954  -6.776  1.000 17.164 0 151 ARG   A CG   1 ? 
ATOM   613  C  CD   . ARG   A 1 39  ? -14.538 -9.838  -6.599  1.000 18.381 0 151 ARG   A CD   1 ? 
ATOM   614  N  NE   . ARG   A 1 39  ? -14.654 -10.742 -7.749  1.000 19.645 0 151 ARG   A NE   1 ? 
ATOM   615  C  CZ   . ARG   A 1 39  ? -15.515 -10.638 -8.763  1.000 20.874 0 151 ARG   A CZ   1 ? 
ATOM   616  N  NH1  . ARG   A 1 39  ? -16.412 -9.666  -8.807  1.000 21.750 0 151 ARG   A NH1  1 ? 
ATOM   617  N  NH2  . ARG   A 1 39  ? -15.466 -11.520 -9.748  1.000 21.662 0 151 ARG   A NH2  1 ? 
ATOM   618  H  H    . ARG   A 1 39  ? -12.607 -5.320  -4.992  1.000 15.561 0 151 ARG   A H    1 c 
ATOM   619  H  HA   . ARG   A 1 39  ? -11.120 -7.605  -5.663  1.000 15.579 0 151 ARG   A HA   1 c 
ATOM   620  H  HB2  . ARG   A 1 39  ? -13.228 -8.247  -4.843  1.000 16.259 0 151 ARG   A HB2  1 c 
ATOM   621  H  HB3  . ARG   A 1 39  ? -13.961 -7.243  -5.827  1.000 16.256 0 151 ARG   A HB3  1 c 
ATOM   622  H  HG2  . ARG   A 1 39  ? -13.347 -8.553  -7.671  1.000 17.178 0 151 ARG   A HG2  1 c 
ATOM   623  H  HG3  . ARG   A 1 39  ? -12.511 -9.517  -6.737  1.000 17.157 0 151 ARG   A HG3  1 c 
ATOM   624  H  HD2  . ARG   A 1 39  ? -14.447 -10.365 -5.779  1.000 18.388 0 151 ARG   A HD2  1 c 
ATOM   625  H  HD3  . ARG   A 1 39  ? -15.343 -9.289  -6.522  1.000 18.444 0 151 ARG   A HD3  1 c 
ATOM   626  H  HE   . ARG   A 1 39  ? -14.105 -11.417 -7.773  1.000 19.652 0 151 ARG   A HE   1 c 
ATOM   627  H  HH11 . ARG   A 1 39  ? -17.026 -9.669  -9.443  1.000 21.517 0 151 ARG   A HH11 1 c 
ATOM   628  H  HH12 . ARG   A 1 39  ? -16.403 -9.014  -8.213  1.000 21.433 0 151 ARG   A HH12 1 c 
ATOM   629  H  HH21 . ARG   A 1 39  ? -16.022 -11.449 -10.432 1.000 21.458 0 151 ARG   A HH21 1 c 
ATOM   630  H  HH22 . ARG   A 1 39  ? -14.878 -12.180 -9.723  1.000 21.486 0 151 ARG   A HH22 1 c 
ATOM   631  N  N    . GLY   A 1 40  ? -10.494 -6.364  -7.746  1.000 15.252 0 152 GLY   A N    1 ? 
ATOM   632  C  CA   . GLY   A 1 40  ? -10.198 -5.579  -8.931  1.000 15.553 0 152 GLY   A CA   1 ? 
ATOM   633  C  C    . GLY   A 1 40  ? -10.619 -4.125  -8.724  1.000 15.765 0 152 GLY   A C    1 ? 
ATOM   634  O  O    . GLY   A 1 40  ? -10.244 -3.513  -7.728  1.000 16.651 0 152 GLY   A O    1 ? 
ATOM   635  H  H    . GLY   A 1 40  ? -9.814  -6.809  -7.326  1.000 15.318 0 152 GLY   A H    1 c 
ATOM   636  H  HA2  . GLY   A 1 40  ? -9.230  -5.622  -9.118  1.000 15.529 0 152 GLY   A HA2  1 c 
ATOM   637  H  HA3  . GLY   A 1 40  ? -10.676 -5.962  -9.702  1.000 15.519 0 152 GLY   A HA3  1 c 
ATOM   638  N  N    . ASN   A 1 41  ? -11.436 -3.594  -9.645  1.000 15.712 0 153 ASN   A N    1 ? 
ATOM   639  C  CA   . ASN   A 1 41  ? -11.916 -2.223  -9.548  1.000 16.387 0 153 ASN   A CA   1 ? 
ATOM   640  C  C    . ASN   A 1 41  ? -13.096 -2.111  -8.581  1.000 16.596 0 153 ASN   A C    1 ? 
ATOM   641  O  O    . ASN   A 1 41  ? -13.444 -1.008  -8.172  1.000 17.687 0 153 ASN   A O    1 ? 
ATOM   642  C  CB   . ASN   A 1 41  ? -12.299 -1.652  -10.911 1.000 16.769 0 153 ASN   A CB   1 ? 
ATOM   643  C  CG   . ASN   A 1 41  ? -12.716 -0.201  -10.824 1.000 17.410 0 153 ASN   A CG   1 ? 
ATOM   644  O  OD1  . ASN   A 1 41  ? -11.909 0.660   -10.448 1.000 18.170 0 153 ASN   A OD1  1 ? 
ATOM   645  N  ND2  . ASN   A 1 41  ? -13.965 0.091   -11.160 1.000 18.004 0 153 ASN   A ND2  1 ? 
ATOM   646  H  H    . ASN   A 1 41  ? -11.699 -4.102  -10.358 1.000 15.865 0 153 ASN   A H    1 c 
ATOM   647  H  HA   . ASN   A 1 41  ? -11.182 -1.668  -9.198  1.000 16.380 0 153 ASN   A HA   1 c 
ATOM   648  H  HB2  . ASN   A 1 41  ? -11.537 -1.729  -11.516 1.000 16.799 0 153 ASN   A HB2  1 c 
ATOM   649  H  HB3  . ASN   A 1 41  ? -13.034 -2.178  -11.283 1.000 16.834 0 153 ASN   A HB3  1 c 
ATOM   650  H  HD21 . ASN   A 1 41  ? -14.528 -0.551  -11.398 1.000 17.872 0 153 ASN   A HD21 1 c 
ATOM   651  H  HD22 . ASN   A 1 41  ? -14.238 0.935   -11.146 1.000 17.874 0 153 ASN   A HD22 1 c 
ATOM   652  N  N    . ASP   A 1 42  ? -13.728 -3.232  -8.214  1.000 16.348 0 154 ASP   A N    1 ? 
ATOM   653  C  CA   . ASP   A 1 42  ? -14.846 -3.171  -7.283  1.000 16.744 0 154 ASP   A CA   1 ? 
ATOM   654  C  C    . ASP   A 1 42  ? -14.319 -2.968  -5.864  1.000 16.450 0 154 ASP   A C    1 ? 
ATOM   655  O  O    . ASP   A 1 42  ? -13.236 -3.435  -5.527  1.000 16.877 0 154 ASP   A O    1 ? 
ATOM   656  C  CB   . ASP   A 1 42  ? -15.747 -4.388  -7.407  1.000 17.260 0 154 ASP   A CB   1 ? 
ATOM   657  C  CG   . ASP   A 1 42  ? -16.666 -4.398  -8.620  1.000 18.265 0 154 ASP   A CG   1 ? 
ATOM   658  O  OD1  . ASP   A 1 42  ? -16.671 -3.394  -9.366  1.000 18.895 0 154 ASP   A OD1  1 ? 
ATOM   659  O  OD2  . ASP   A 1 42  ? -17.374 -5.411  -8.807  1.000 19.350 0 154 ASP   A OD2  1 ? 
ATOM   660  H  H    . ASP   A 1 42  ? -13.469 -4.041  -8.550  1.000 16.428 0 154 ASP   A H    1 c 
ATOM   661  H  HA   . ASP   A 1 42  ? -15.393 -2.390  -7.517  1.000 16.743 0 154 ASP   A HA   1 c 
ATOM   662  H  HB2  . ASP   A 1 42  ? -15.189 -5.193  -7.440  1.000 17.270 0 154 ASP   A HB2  1 c 
ATOM   663  H  HB3  . ASP   A 1 42  ? -16.307 -4.446  -6.604  1.000 17.318 0 154 ASP   A HB3  1 c 
ATOM   664  N  N    . VAL   A 1 43  ? -15.081 -2.234  -5.046  1.000 15.603 0 155 VAL   A N    1 ? 
ATOM   665  C  CA   . VAL   A 1 43  ? -14.763 -2.080  -3.637  1.000 15.579 0 155 VAL   A CA   1 ? 
ATOM   666  C  C    . VAL   A 1 43  ? -15.776 -2.904  -2.848  1.000 15.415 0 155 VAL   A C    1 ? 
ATOM   667  O  O    . VAL   A 1 43  ? -16.945 -2.537  -2.753  1.000 15.314 0 155 VAL   A O    1 ? 
ATOM   668  C  CB   . VAL   A 1 43  ? -14.736 -0.604  -3.193  1.000 15.946 0 155 VAL   A CB   1 ? 
ATOM   669  C  CG1  . VAL   A 1 43  ? -14.376 -0.462  -1.720  1.000 16.044 0 155 VAL   A CG1  1 ? 
ATOM   670  C  CG2  . VAL   A 1 43  ? -13.772 0.215   -4.044  1.000 16.247 0 155 VAL   A CG2  1 ? 
ATOM   671  H  H    . VAL   A 1 43  ? -15.823 -1.815  -5.378  1.000 15.701 0 155 VAL   A H    1 c 
ATOM   672  H  HA   . VAL   A 1 43  ? -13.876 -2.456  -3.481  1.000 15.643 0 155 VAL   A HA   1 c 
ATOM   673  H  HB   . VAL   A 1 43  ? -15.643 -0.242  -3.324  1.000 15.952 0 155 VAL   A HB   1 c 
ATOM   674  H  HG11 . VAL   A 1 43  ? -13.531 -0.910  -1.546  1.000 16.027 0 155 VAL   A HG11 1 c 
ATOM   675  H  HG12 . VAL   A 1 43  ? -15.073 -0.863  -1.172  1.000 16.025 0 155 VAL   A HG12 1 c 
ATOM   676  H  HG13 . VAL   A 1 43  ? -14.294 0.479   -1.497  1.000 16.032 0 155 VAL   A HG13 1 c 
ATOM   677  H  HG21 . VAL   A 1 43  ? -13.764 1.135   -3.732  1.000 16.195 0 155 VAL   A HG21 1 c 
ATOM   678  H  HG22 . VAL   A 1 43  ? -14.057 0.192   -4.973  1.000 16.171 0 155 VAL   A HG22 1 c 
ATOM   679  H  HG23 . VAL   A 1 43  ? -12.878 -0.158  -3.972  1.000 16.214 0 155 VAL   A HG23 1 c 
ATOM   680  N  N    . ALA   A 1 44  ? -15.334 -4.059  -2.338  1.000 15.412 0 156 ALA   A N    1 ? 
ATOM   681  C  CA   . ALA   A 1 44  ? -16.217 -4.945  -1.594  1.000 15.169 0 156 ALA   A CA   1 ? 
ATOM   682  C  C    . ALA   A 1 44  ? -16.682 -4.268  -0.307  1.000 15.061 0 156 ALA   A C    1 ? 
ATOM   683  O  O    . ALA   A 1 44  ? -17.846 -4.375  0.071   1.000 15.164 0 156 ALA   A O    1 ? 
ATOM   684  C  CB   . ALA   A 1 44  ? -15.511 -6.253  -1.302  1.000 15.440 0 156 ALA   A CB   1 ? 
ATOM   685  H  H    . ALA   A 1 44  ? -14.462 -4.303  -2.458  1.000 15.411 0 156 ALA   A H    1 c 
ATOM   686  H  HA   . ALA   A 1 44  ? -17.020 -5.128  -2.155  1.000 15.237 0 156 ALA   A HA   1 c 
ATOM   687  H  HB1  . ALA   A 1 44  ? -15.253 -6.678  -2.137  1.000 15.379 0 156 ALA   A HB1  1 c 
ATOM   688  H  HB2  . ALA   A 1 44  ? -14.716 -6.083  -0.769  1.000 15.384 0 156 ALA   A HB2  1 c 
ATOM   689  H  HB3  . ALA   A 1 44  ? -16.107 -6.844  -0.811  1.000 15.403 0 156 ALA   A HB3  1 c 
ATOM   690  N  N    . PHE   A 1 45  ? -15.759 -3.575  0.368   1.000 14.454 0 157 PHE   A N    1 ? 
ATOM   691  C  CA   . PHE   A 1 45  ? -16.054 -2.948  1.645   1.000 14.352 0 157 PHE   A CA   1 ? 
ATOM   692  C  C    . PHE   A 1 45  ? -15.233 -1.669  1.786   1.000 14.558 0 157 PHE   A C    1 ? 
ATOM   693  O  O    . PHE   A 1 45  ? -14.006 -1.721  1.885   1.000 14.759 0 157 PHE   A O    1 ? 
ATOM   694  C  CB   . PHE   A 1 45  ? -15.789 -3.955  2.770   1.000 14.580 0 157 PHE   A CB   1 ? 
ATOM   695  C  CG   . PHE   A 1 45  ? -15.997 -3.429  4.185   1.000 14.739 0 157 PHE   A CG   1 ? 
ATOM   696  C  CD1  . PHE   A 1 45  ? -17.054 -2.578  4.493   1.000 15.077 0 157 PHE   A CD1  1 ? 
ATOM   697  C  CD2  . PHE   A 1 45  ? -15.131 -3.792  5.210   1.000 15.043 0 157 PHE   A CD2  1 ? 
ATOM   698  C  CE1  . PHE   A 1 45  ? -17.228 -2.104  5.784   1.000 15.462 0 157 PHE   A CE1  1 ? 
ATOM   699  C  CE2  . PHE   A 1 45  ? -15.315 -3.317  6.499   1.000 15.159 0 157 PHE   A CE2  1 ? 
ATOM   700  C  CZ   . PHE   A 1 45  ? -16.361 -2.474  6.784   1.000 15.251 0 157 PHE   A CZ   1 ? 
ATOM   701  H  H    . PHE   A 1 45  ? -14.916 -3.495  0.024   1.000 14.511 0 157 PHE   A H    1 c 
ATOM   702  H  HA   . PHE   A 1 45  ? -17.018 -2.708  1.661   1.000 14.373 0 157 PHE   A HA   1 c 
ATOM   703  H  HB2  . PHE   A 1 45  ? -16.378 -4.730  2.634   1.000 14.559 0 157 PHE   A HB2  1 c 
ATOM   704  H  HB3  . PHE   A 1 45  ? -14.863 -4.272  2.686   1.000 14.591 0 157 PHE   A HB3  1 c 
ATOM   705  H  HD1  . PHE   A 1 45  ? -17.655 -2.316  3.815   1.000 15.070 0 157 PHE   A HD1  1 c 
ATOM   706  H  HD2  . PHE   A 1 45  ? -14.407 -4.370  5.024   1.000 15.011 0 157 PHE   A HD2  1 c 
ATOM   707  H  HE1  . PHE   A 1 45  ? -17.950 -1.528  5.977   1.000 15.382 0 157 PHE   A HE1  1 c 
ATOM   708  H  HE2  . PHE   A 1 45  ? -14.716 -3.572  7.183   1.000 15.129 0 157 PHE   A HE2  1 c 
ATOM   709  H  HZ   . PHE   A 1 45  ? -16.485 -2.152  7.663   1.000 15.250 0 157 PHE   A HZ   1 c 
ATOM   710  N  N    . HIS   A 1 46  ? -15.946 -0.534  1.769   1.000 14.424 0 158 HIS   A N    1 ? 
ATOM   711  C  CA   . HIS   A 1 46  ? -15.395 0.792   2.008   1.000 14.731 0 158 HIS   A CA   1 ? 
ATOM   712  C  C    . HIS   A 1 46  ? -15.807 1.207   3.417   1.000 14.676 0 158 HIS   A C    1 ? 
ATOM   713  O  O    . HIS   A 1 46  ? -17.000 1.242   3.709   1.000 15.414 0 158 HIS   A O    1 ? 
ATOM   714  C  CB   . HIS   A 1 46  ? -15.916 1.748   0.925   1.000 15.148 0 158 HIS   A CB   1 ? 
ATOM   715  C  CG   . HIS   A 1 46  ? -15.562 3.197   1.049   1.000 15.271 0 158 HIS   A CG   1 ? 
ATOM   716  N  ND1  . HIS   A 1 46  ? -14.347 3.728   0.680   1.000 15.588 0 158 HIS   A ND1  1 ? 
ATOM   717  C  CD2  . HIS   A 1 46  ? -16.308 4.239   1.454   1.000 15.400 0 158 HIS   A CD2  1 ? 
ATOM   718  C  CE1  . HIS   A 1 46  ? -14.363 5.041   0.880   1.000 15.719 0 158 HIS   A CE1  1 ? 
ATOM   719  N  NE2  . HIS   A 1 46  ? -15.554 5.377   1.332   1.000 15.858 0 158 HIS   A NE2  1 ? 
ATOM   720  H  H    . HIS   A 1 46  ? -16.841 -0.594  1.592   1.000 14.473 0 158 HIS   A H    1 c 
ATOM   721  H  HA   . HIS   A 1 46  ? -14.411 0.747   1.961   1.000 14.741 0 158 HIS   A HA   1 c 
ATOM   722  H  HB2  . HIS   A 1 46  ? -15.598 1.426   0.055   1.000 15.104 0 158 HIS   A HB2  1 c 
ATOM   723  H  HB3  . HIS   A 1 46  ? -16.895 1.673   0.899   1.000 15.146 0 158 HIS   A HB3  1 c 
ATOM   724  H  HD1  . HIS   A 1 46  ? -13.689 3.251   0.322   0.000 15.815 0 158 HIS   A HD1  1 c 
ATOM   725  H  HD2  . HIS   A 1 46  ? -17.195 4.205   1.753   1.000 15.406 0 158 HIS   A HD2  1 c 
ATOM   726  H  HE1  . HIS   A 1 46  ? -13.649 5.631   0.715   1.000 15.781 0 158 HIS   A HE1  1 c 
ATOM   727  H  HE2  . HIS   A 1 46  ? -15.777 6.214   1.536   0.000 16.602 0 158 HIS   A HE2  1 c 
ATOM   728  N  N    . PHE   A 1 47  ? -14.815 1.481   4.276   1.000 14.732 0 159 PHE   A N    1 ? 
ATOM   729  C  CA   . PHE   A 1 47  ? -15.020 1.917   5.648   1.000 14.838 0 159 PHE   A CA   1 ? 
ATOM   730  C  C    . PHE   A 1 47  ? -14.464 3.331   5.781   1.000 15.185 0 159 PHE   A C    1 ? 
ATOM   731  O  O    . PHE   A 1 47  ? -13.254 3.518   5.658   1.000 15.263 0 159 PHE   A O    1 ? 
ATOM   732  C  CB   . PHE   A 1 47  ? -14.322 0.926   6.586   1.000 14.454 0 159 PHE   A CB   1 ? 
ATOM   733  C  CG   . PHE   A 1 47  ? -14.298 1.314   8.058   1.000 14.703 0 159 PHE   A CG   1 ? 
ATOM   734  C  CD1  . PHE   A 1 47  ? -15.370 1.011   8.892   1.000 14.821 0 159 PHE   A CD1  1 ? 
ATOM   735  C  CD2  . PHE   A 1 47  ? -13.201 1.974   8.607   1.000 14.938 0 159 PHE   A CD2  1 ? 
ATOM   736  C  CE1  . PHE   A 1 47  ? -15.345 1.362   10.233  1.000 15.191 0 159 PHE   A CE1  1 ? 
ATOM   737  C  CE2  . PHE   A 1 47  ? -13.182 2.323   9.949   1.000 15.104 0 159 PHE   A CE2  1 ? 
ATOM   738  C  CZ   . PHE   A 1 47  ? -14.252 2.017   10.757  1.000 15.098 0 159 PHE   A CZ   1 ? 
ATOM   739  H  H    . PHE   A 1 47  ? -13.954 1.388   3.983   1.000 14.736 0 159 PHE   A H    1 c 
ATOM   740  H  HA   . PHE   A 1 47  ? -15.993 1.925   5.849   1.000 14.823 0 159 PHE   A HA   1 c 
ATOM   741  H  HB2  . PHE   A 1 47  ? -14.769 0.054   6.499   1.000 14.560 0 159 PHE   A HB2  1 c 
ATOM   742  H  HB3  . PHE   A 1 47  ? -13.397 0.812   6.278   1.000 14.523 0 159 PHE   A HB3  1 c 
ATOM   743  H  HD1  . PHE   A 1 47  ? -16.122 0.563   8.539   1.000 14.867 0 159 PHE   A HD1  1 c 
ATOM   744  H  HD2  . PHE   A 1 47  ? -12.463 2.187   8.058   1.000 14.900 0 159 PHE   A HD2  1 c 
ATOM   745  H  HE1  . PHE   A 1 47  ? -16.080 1.153   10.787  1.000 15.134 0 159 PHE   A HE1  1 c 
ATOM   746  H  HE2  . PHE   A 1 47  ? -12.433 2.771   10.307  1.000 15.066 0 159 PHE   A HE2  1 c 
ATOM   747  H  HZ   . PHE   A 1 47  ? -14.237 2.256   11.670  1.000 15.106 0 159 PHE   A HZ   1 c 
ATOM   748  N  N    . ASN   A 1 48  ? -15.340 4.313   6.044   1.000 15.770 0 160 ASN   A N    1 ? 
ATOM   749  C  CA   . ASN   A 1 48  ? -15.020 5.718   5.807   1.000 15.971 0 160 ASN   A CA   1 ? 
ATOM   750  C  C    . ASN   A 1 48  ? -15.462 6.589   6.984   1.000 16.007 0 160 ASN   A C    1 ? 
ATOM   751  O  O    . ASN   A 1 48  ? -16.554 7.156   6.967   1.000 16.168 0 160 ASN   A O    1 ? 
ATOM   752  C  CB   . ASN   A 1 48  ? -15.606 6.162   4.469   1.000 16.401 0 160 ASN   A CB   1 ? 
ATOM   753  C  CG   . ASN   A 1 48  ? -15.442 7.634   4.167   1.000 16.782 0 160 ASN   A CG   1 ? 
ATOM   754  O  OD1  . ASN   A 1 48  ? -16.318 8.226   3.525   1.000 18.223 0 160 ASN   A OD1  1 ? 
ATOM   755  N  ND2  . ASN   A 1 48  ? -14.323 8.236   4.547   1.000 16.957 0 160 ASN   A ND2  1 ? 
ATOM   756  H  H    . ASN   A 1 48  ? -16.162 4.101   6.384   1.000 15.644 0 160 ASN   A H    1 c 
ATOM   757  H  HA   . ASN   A 1 48  ? -14.046 5.793   5.730   1.000 16.020 0 160 ASN   A HA   1 c 
ATOM   758  H  HB2  . ASN   A 1 48  ? -15.177 5.648   3.757   1.000 16.383 0 160 ASN   A HB2  1 c 
ATOM   759  H  HB3  . ASN   A 1 48  ? -16.559 5.946   4.456   1.000 16.366 0 160 ASN   A HB3  1 c 
ATOM   760  H  HD21 . ASN   A 1 48  ? -13.577 7.765   4.655   1.000 16.897 0 160 ASN   A HD21 1 c 
ATOM   761  H  HD22 . ASN   A 1 48  ? -14.321 9.114   4.688   1.000 16.878 0 160 ASN   A HD22 1 c 
ATOM   762  N  N    . PRO   A 1 49  ? -14.635 6.714   8.050   1.000 16.215 0 161 PRO   A N    1 ? 
ATOM   763  C  CA   . PRO   A 1 49  ? -14.828 7.745   9.072   1.000 16.541 0 161 PRO   A CA   1 ? 
ATOM   764  C  C    . PRO   A 1 49  ? -14.759 9.155   8.486   1.000 17.301 0 161 PRO   A C    1 ? 
ATOM   765  O  O    . PRO   A 1 49  ? -13.785 9.500   7.816   1.000 17.620 0 161 PRO   A O    1 ? 
ATOM   766  C  CB   . PRO   A 1 49  ? -13.683 7.476   10.075  1.000 16.409 0 161 PRO   A CB   1 ? 
ATOM   767  C  CG   . PRO   A 1 49  ? -13.336 6.019   9.861   1.000 16.272 0 161 PRO   A CG   1 ? 
ATOM   768  C  CD   . PRO   A 1 49  ? -13.514 5.817   8.369   1.000 16.001 0 161 PRO   A CD   1 ? 
ATOM   769  H  HA   . PRO   A 1 49  ? -15.701 7.603   9.516   1.000 16.560 0 161 PRO   A HA   1 c 
ATOM   770  H  HB2  . PRO   A 1 49  ? -12.906 8.054   9.888   1.000 16.445 0 161 PRO   A HB2  1 c 
ATOM   771  H  HB3  . PRO   A 1 49  ? -13.983 7.634   11.001  1.000 16.405 0 161 PRO   A HB3  1 c 
ATOM   772  H  HG2  . PRO   A 1 49  ? -12.413 5.834   10.132  1.000 16.213 0 161 PRO   A HG2  1 c 
ATOM   773  H  HG3  . PRO   A 1 49  ? -13.940 5.436   10.367  1.000 16.229 0 161 PRO   A HG3  1 c 
ATOM   774  H  HD2  . PRO   A 1 49  ? -12.702 6.071   7.881   1.000 16.095 0 161 PRO   A HD2  1 c 
ATOM   775  H  HD3  . PRO   A 1 49  ? -13.736 4.882   8.164   1.000 16.042 0 161 PRO   A HD3  1 c 
ATOM   776  N  N    . ARG   A 1 50  ? -15.809 9.945   8.743   1.000 17.666 0 162 ARG   A N    1 ? 
ATOM   777  C  CA   . ARG   A 1 50  ? -15.877 11.344  8.355   1.000 18.018 0 162 ARG   A CA   1 ? 
ATOM   778  C  C    . ARG   A 1 50  ? -15.973 12.191  9.621   1.000 18.984 0 162 ARG   A C    1 ? 
ATOM   779  O  O    . ARG   A 1 50  ? -16.886 11.995  10.421  1.000 18.950 0 162 ARG   A O    1 ? 
ATOM   780  C  CB   . ARG   A 1 50  ? -17.088 11.578  7.445   1.000 18.144 0 162 ARG   A CB   1 ? 
ATOM   781  C  CG   . ARG   A 1 50  ? -17.027 10.787  6.147   1.000 17.989 0 162 ARG   A CG   1 ? 
ATOM   782  C  CD   . ARG   A 1 50  ? -18.246 10.997  5.263   1.000 18.241 0 162 ARG   A CD   1 ? 
ATOM   783  N  NE   . ARG   A 1 50  ? -18.166 10.163  4.058   1.000 18.385 0 162 ARG   A NE   1 ? 
ATOM   784  C  CZ   . ARG   A 1 50  ? -19.079 10.100  3.095   1.000 18.176 0 162 ARG   A CZ   1 ? 
ATOM   785  N  NH1  . ARG   A 1 50  ? -20.159 10.861  3.143   1.000 18.482 0 162 ARG   A NH1  1 ? 
ATOM   786  N  NH2  . ARG   A 1 50  ? -18.912 9.268   2.082   1.000 18.032 0 162 ARG   A NH2  1 ? 
ATOM   787  H  H    . ARG   A 1 50  ? -16.524 9.588   9.186   1.000 17.670 0 162 ARG   A H    1 c 
ATOM   788  H  HA   . ARG   A 1 50  ? -15.049 11.582  7.866   1.000 18.099 0 162 ARG   A HA   1 c 
ATOM   789  H  HB2  . ARG   A 1 50  ? -17.903 11.328  7.931   1.000 18.103 0 162 ARG   A HB2  1 c 
ATOM   790  H  HB3  . ARG   A 1 50  ? -17.147 12.534  7.232   1.000 18.091 0 162 ARG   A HB3  1 c 
ATOM   791  H  HG2  . ARG   A 1 50  ? -16.224 11.051  5.648   1.000 18.058 0 162 ARG   A HG2  1 c 
ATOM   792  H  HG3  . ARG   A 1 50  ? -16.948 9.831   6.355   1.000 18.052 0 162 ARG   A HG3  1 c 
ATOM   793  H  HD2  . ARG   A 1 50  ? -19.056 10.768  5.763   1.000 18.233 0 162 ARG   A HD2  1 c 
ATOM   794  H  HD3  . ARG   A 1 50  ? -18.303 11.939  5.002   1.000 18.225 0 162 ARG   A HD3  1 c 
ATOM   795  H  HE   . ARG   A 1 50  ? -17.458 9.666   3.963   1.000 18.365 0 162 ARG   A HE   1 c 
ATOM   796  H  HH11 . ARG   A 1 50  ? -20.746 10.833  2.481   1.000 18.407 0 162 ARG   A HH11 1 c 
ATOM   797  H  HH12 . ARG   A 1 50  ? -20.300 11.398  3.830   1.000 18.378 0 162 ARG   A HH12 1 c 
ATOM   798  H  HH21 . ARG   A 1 50  ? -19.513 9.235   1.434   1.000 18.078 0 162 ARG   A HH21 1 c 
ATOM   799  H  HH22 . ARG   A 1 50  ? -18.200 8.744   2.052   1.000 18.054 0 162 ARG   A HH22 1 c 
ATOM   800  N  N    . PHE   A 1 51  ? -15.033 13.130  9.780   1.000 19.589 0 163 PHE   A N    1 ? 
ATOM   801  C  CA   . PHE   A 1 51  ? -14.890 13.910  11.002  1.000 20.551 0 163 PHE   A CA   1 ? 
ATOM   802  C  C    . PHE   A 1 51  ? -15.727 15.190  10.950  1.000 21.891 0 163 PHE   A C    1 ? 
ATOM   803  O  O    . PHE   A 1 51  ? -15.999 15.775  11.994  1.000 22.319 0 163 PHE   A O    1 ? 
ATOM   804  C  CB   . PHE   A 1 51  ? -13.411 14.230  11.243  1.000 20.817 0 163 PHE   A CB   1 ? 
ATOM   805  C  CG   . PHE   A 1 51  ? -12.563 13.047  11.691  1.000 20.508 0 163 PHE   A CG   1 ? 
ATOM   806  C  CD1  . PHE   A 1 51  ? -12.116 12.106  10.771  1.000 20.564 0 163 PHE   A CD1  1 ? 
ATOM   807  C  CD2  . PHE   A 1 51  ? -12.203 12.884  13.026  1.000 20.611 0 163 PHE   A CD2  1 ? 
ATOM   808  C  CE1  . PHE   A 1 51  ? -11.339 11.029  11.176  1.000 20.936 0 163 PHE   A CE1  1 ? 
ATOM   809  C  CE2  . PHE   A 1 51  ? -11.422 11.807  13.425  1.000 20.843 0 163 PHE   A CE2  1 ? 
ATOM   810  C  CZ   . PHE   A 1 51  ? -10.994 10.883  12.501  1.000 20.853 0 163 PHE   A CZ   1 ? 
ATOM   811  H  H    . PHE   A 1 51  ? -14.453 13.293  9.092   1.000 19.638 0 163 PHE   A H    1 c 
ATOM   812  H  HA   . PHE   A 1 51  ? -15.214 13.358  11.763  1.000 20.602 0 163 PHE   A HA   1 c 
ATOM   813  H  HB2  . PHE   A 1 51  ? -13.032 14.593  10.412  1.000 20.704 0 163 PHE   A HB2  1 c 
ATOM   814  H  HB3  . PHE   A 1 51  ? -13.353 14.935  11.926  1.000 20.695 0 163 PHE   A HB3  1 c 
ATOM   815  H  HD1  . PHE   A 1 51  ? -12.349 12.198  9.861   1.000 20.649 0 163 PHE   A HD1  1 c 
ATOM   816  H  HD2  . PHE   A 1 51  ? -12.492 13.515  13.666  1.000 20.638 0 163 PHE   A HD2  1 c 
ATOM   817  H  HE1  . PHE   A 1 51  ? -11.047 10.396  10.541  1.000 20.841 0 163 PHE   A HE1  1 c 
ATOM   818  H  HE2  . PHE   A 1 51  ? -11.188 11.707  14.334  1.000 20.782 0 163 PHE   A HE2  1 c 
ATOM   819  H  HZ   . PHE   A 1 51  ? -10.466 10.150  12.774  1.000 20.873 0 163 PHE   A HZ   1 c 
ATOM   820  N  N    . ASN   A 1 52  ? -16.126 15.629  9.748   1.000 23.596 0 164 ASN   A N    1 ? 
ATOM   821  C  CA   . ASN   A 1 52  ? -16.947 16.825  9.615   1.000 25.547 0 164 ASN   A CA   1 ? 
ATOM   822  C  C    . ASN   A 1 52  ? -17.843 16.710  8.382   1.000 25.962 0 164 ASN   A C    1 ? 
ATOM   823  O  O    . ASN   A 1 52  ? -17.622 17.386  7.379   1.000 27.754 0 164 ASN   A O    1 ? 
ATOM   824  C  CB   . ASN   A 1 52  ? -16.093 18.091  9.604   1.000 27.714 0 164 ASN   A CB   1 ? 
ATOM   825  C  CG   . ASN   A 1 52  ? -16.923 19.355  9.631   1.000 29.387 0 164 ASN   A CG   1 ? 
ATOM   826  O  OD1  . ASN   A 1 52  ? -18.143 19.308  9.442   1.000 31.466 0 164 ASN   A OD1  1 ? 
ATOM   827  N  ND2  . ASN   A 1 52  ? -16.285 20.497  9.844   1.000 30.749 0 164 ASN   A ND2  1 ? 
ATOM   828  H  H    . ASN   A 1 52  ? -15.876 15.179  8.993   1.000 23.432 0 164 ASN   A H    1 c 
ATOM   829  H  HA   . ASN   A 1 52  ? -17.533 16.878  10.404  1.000 25.540 0 164 ASN   A HA   1 c 
ATOM   830  H  HB2  . ASN   A 1 52  ? -15.501 18.082  10.383  1.000 27.531 0 164 ASN   A HB2  1 c 
ATOM   831  H  HB3  . ASN   A 1 52  ? -15.534 18.093  8.802   1.000 27.532 0 164 ASN   A HB3  1 c 
ATOM   832  H  HD21 . ASN   A 1 52  ? -15.411 20.495  10.000  1.000 30.445 0 164 ASN   A HD21 1 c 
ATOM   833  H  HD22 . ASN   A 1 52  ? -16.732 21.263  9.831   1.000 30.483 0 164 ASN   A HD22 1 c 
ATOM   834  N  N    . GLU   A 1 53  ? -18.863 15.850  8.478   1.000 25.744 0 165 GLU   A N    1 ? 
ATOM   835  C  CA   . GLU   A 1 53  ? -19.951 15.830  7.515   1.000 26.318 0 165 GLU   A CA   1 ? 
ATOM   836  C  C    . GLU   A 1 53  ? -21.113 16.626  8.104   1.000 26.546 0 165 GLU   A C    1 ? 
ATOM   837  O  O    . GLU   A 1 53  ? -21.786 16.159  9.020   1.000 25.630 0 165 GLU   A O    1 ? 
ATOM   838  C  CB   . GLU   A 1 53  ? -20.382 14.401  7.181   1.000 26.668 0 165 GLU   A CB   1 ? 
ATOM   839  C  CG   . GLU   A 1 53  ? -21.366 14.337  6.017   1.000 27.155 0 165 GLU   A CG   1 ? 
ATOM   840  C  CD   . GLU   A 1 53  ? -22.071 13.006  5.844   1.000 27.795 0 165 GLU   A CD   1 ? 
ATOM   841  O  OE1  . GLU   A 1 53  ? -22.932 12.670  6.687   1.000 28.503 0 165 GLU   A OE1  1 ? 
ATOM   842  O  OE2  . GLU   A 1 53  ? -21.761 12.303  4.863   1.000 28.500 0 165 GLU   A OE2  1 ? 
ATOM   843  H  H    . GLU   A 1 53  ? -18.877 15.252  9.169   1.000 25.925 0 165 GLU   A H    1 c 
ATOM   844  H  HA   . GLU   A 1 53  ? -19.647 16.270  6.682   1.000 26.325 0 165 GLU   A HA   1 c 
ATOM   845  H  HB2  . GLU   A 1 53  ? -19.586 13.875  6.957   1.000 26.691 0 165 GLU   A HB2  1 c 
ATOM   846  H  HB3  . GLU   A 1 53  ? -20.793 13.998  7.975   1.000 26.688 0 165 GLU   A HB3  1 c 
ATOM   847  H  HG2  . GLU   A 1 53  ? -22.048 15.032  6.137   1.000 27.144 0 165 GLU   A HG2  1 c 
ATOM   848  H  HG3  . GLU   A 1 53  ? -20.886 14.542  5.186   1.000 27.178 0 165 GLU   A HG3  1 c 
ATOM   849  N  N    . ASN   A 1 54  ? -21.321 17.835  7.571   1.000 27.382 0 166 ASN   A N    1 ? 
ATOM   850  C  CA   . ASN   A 1 54  ? -22.287 18.784  8.103   1.000 27.986 0 166 ASN   A CA   1 ? 
ATOM   851  C  C    . ASN   A 1 54  ? -22.095 18.928  9.614   1.000 27.457 0 166 ASN   A C    1 ? 
ATOM   852  O  O    . ASN   A 1 54  ? -23.056 18.865  10.378  1.000 26.516 0 166 ASN   A O    1 ? 
ATOM   853  C  CB   . ASN   A 1 54  ? -23.711 18.405  7.708   1.000 29.726 0 166 ASN   A CB   1 ? 
ATOM   854  C  CG   . ASN   A 1 54  ? -24.716 19.470  8.084   1.000 31.141 0 166 ASN   A CG   1 ? 
ATOM   855  O  OD1  . ASN   A 1 54  ? -25.766 19.156  8.656   1.000 33.570 0 166 ASN   A OD1  1 ? 
ATOM   856  N  ND2  . ASN   A 1 54  ? -24.427 20.725  7.770   1.000 31.873 0 166 ASN   A ND2  1 ? 
ATOM   857  H  H    . ASN   A 1 54  ? -20.839 18.079  6.833   1.000 27.308 0 166 ASN   A H    1 c 
ATOM   858  H  HA   . ASN   A 1 54  ? -22.096 19.657  7.695   1.000 28.101 0 166 ASN   A HA   1 c 
ATOM   859  H  HB2  . ASN   A 1 54  ? -23.748 18.258  6.742   1.000 29.599 0 166 ASN   A HB2  1 c 
ATOM   860  H  HB3  . ASN   A 1 54  ? -23.953 17.568  8.151   1.000 29.665 0 166 ASN   A HB3  1 c 
ATOM   861  H  HD21 . ASN   A 1 54  ? -23.852 20.903  7.118   1.000 31.594 0 166 ASN   A HD21 1 c 
ATOM   862  H  HD22 . ASN   A 1 54  ? -24.817 21.389  8.212   1.000 31.710 0 166 ASN   A HD22 1 c 
ATOM   863  N  N    . ASN   A 1 55  ? -20.835 19.115  10.028  1.000 26.898 0 167 ASN   A N    1 ? 
ATOM   864  C  CA   . ASN   A 1 55  ? -20.470 19.385  11.412  1.000 27.456 0 167 ASN   A CA   1 ? 
ATOM   865  C  C    . ASN   A 1 55  ? -20.855 18.227  12.336  1.000 27.764 0 167 ASN   A C    1 ? 
ATOM   866  O  O    . ASN   A 1 55  ? -21.067 18.444  13.529  1.000 28.504 0 167 ASN   A O    1 ? 
ATOM   867  C  CB   . ASN   A 1 55  ? -21.049 20.718  11.879  1.000 27.865 0 167 ASN   A CB   1 ? 
ATOM   868  C  CG   . ASN   A 1 55  ? -20.573 21.864  11.020  1.000 28.233 0 167 ASN   A CG   1 ? 
ATOM   869  O  OD1  . ASN   A 1 55  ? -21.376 22.500  10.327  1.000 28.845 0 167 ASN   A OD1  1 ? 
ATOM   870  N  ND2  . ASN   A 1 55  ? -19.275 22.129  11.036  1.000 28.702 0 167 ASN   A ND2  1 ? 
ATOM   871  H  H    . ASN   A 1 55  ? -20.164 19.078  9.408   1.000 27.111 0 167 ASN   A H    1 c 
ATOM   872  H  HA   . ASN   A 1 55  ? -19.492 19.473  11.448  1.000 27.485 0 167 ASN   A HA   1 c 
ATOM   873  H  HB2  . ASN   A 1 55  ? -22.025 20.677  11.851  1.000 27.871 0 167 ASN   A HB2  1 c 
ATOM   874  H  HB3  . ASN   A 1 55  ? -20.779 20.880  12.805  1.000 27.841 0 167 ASN   A HB3  1 c 
ATOM   875  H  HD21 . ASN   A 1 55  ? -18.742 21.708  11.607  1.000 28.573 0 167 ASN   A HD21 1 c 
ATOM   876  H  HD22 . ASN   A 1 55  ? -18.940 22.727  10.473  1.000 28.575 0 167 ASN   A HD22 1 c 
ATOM   877  N  N    . ARG   A 1 56  ? -20.918 17.003  11.790  1.000 27.523 0 168 ARG   A N    1 ? 
ATOM   878  C  CA   . ARG   A 1 56  ? -21.115 15.797  12.582  1.000 27.461 0 168 ARG   A CA   1 ? 
ATOM   879  C  C    . ARG   A 1 56  ? -20.014 14.796  12.240  1.000 25.444 0 168 ARG   A C    1 ? 
ATOM   880  O  O    . ARG   A 1 56  ? -19.429 14.861  11.160  1.000 24.088 0 168 ARG   A O    1 ? 
ATOM   881  C  CB   . ARG   A 1 56  ? -22.472 15.116  12.352  1.000 29.017 0 168 ARG   A CB   1 ? 
ATOM   882  C  CG   . ARG   A 1 56  ? -23.711 15.943  12.667  1.000 30.946 0 168 ARG   A CG   1 ? 
ATOM   883  C  CD   . ARG   A 1 56  ? -24.404 16.438  11.409  1.000 32.619 0 168 ARG   A CD   1 ? 
ATOM   884  N  NE   . ARG   A 1 56  ? -25.299 17.572  11.666  1.000 34.409 0 168 ARG   A NE   1 ? 
ATOM   885  C  CZ   . ARG   A 1 56  ? -26.484 17.518  12.269  1.000 35.466 0 168 ARG   A CZ   1 ? 
ATOM   886  N  NH1  . ARG   A 1 56  ? -27.163 18.634  12.472  1.000 36.239 0 168 ARG   A NH1  1 ? 
ATOM   887  N  NH2  . ARG   A 1 56  ? -26.991 16.362  12.669  1.000 35.713 0 168 ARG   A NH2  1 ? 
ATOM   888  H  H    . ARG   A 1 56  ? -20.819 16.914  10.887  1.000 27.505 0 168 ARG   A H    1 c 
ATOM   889  H  HA   . ARG   A 1 56  ? -21.039 16.034  13.541  1.000 27.328 0 168 ARG   A HA   1 c 
ATOM   890  H  HB2  . ARG   A 1 56  ? -22.517 14.838  11.412  1.000 29.039 0 168 ARG   A HB2  1 c 
ATOM   891  H  HB3  . ARG   A 1 56  ? -22.500 14.301  12.897  1.000 28.982 0 168 ARG   A HB3  1 c 
ATOM   892  H  HG2  . ARG   A 1 56  ? -24.341 15.397  13.187  1.000 30.859 0 168 ARG   A HG2  1 c 
ATOM   893  H  HG3  . ARG   A 1 56  ? -23.454 16.716  13.216  1.000 30.841 0 168 ARG   A HG3  1 c 
ATOM   894  H  HD2  . ARG   A 1 56  ? -23.729 16.702  10.754  1.000 32.439 0 168 ARG   A HD2  1 c 
ATOM   895  H  HD3  . ARG   A 1 56  ? -24.920 15.703  11.021  1.000 32.590 0 168 ARG   A HD3  1 c 
ATOM   896  H  HE   . ARG   A 1 56  ? -25.030 18.356  11.398  1.000 34.261 0 168 ARG   A HE   1 c 
ATOM   897  H  HH11 . ARG   A 1 56  ? -27.970 18.600  12.832  1.000 36.106 0 168 ARG   A HH11 1 c 
ATOM   898  H  HH12 . ARG   A 1 56  ? -26.811 19.414  12.249  1.000 36.013 0 168 ARG   A HH12 1 c 
ATOM   899  H  HH21 . ARG   A 1 56  ? -27.789 16.345  13.051  1.000 35.696 0 168 ARG   A HH21 1 c 
ATOM   900  H  HH22 . ARG   A 1 56  ? -26.546 15.609  12.557  1.000 35.488 0 168 ARG   A HH22 1 c 
ATOM   901  N  N    . ARG   A 1 57  ? -19.738 13.882  13.179  1.000 23.688 0 169 ARG   A N    1 ? 
ATOM   902  C  CA   . ARG   A 1 57  ? -18.840 12.762  12.944  1.000 22.968 0 169 ARG   A CA   1 ? 
ATOM   903  C  C    . ARG   A 1 57  ? -19.690 11.525  12.659  1.000 21.935 0 169 ARG   A C    1 ? 
ATOM   904  O  O    . ARG   A 1 57  ? -20.621 11.243  13.408  1.000 23.088 0 169 ARG   A O    1 ? 
ATOM   905  C  CB   . ARG   A 1 57  ? -17.900 12.575  14.142  1.000 23.777 0 169 ARG   A CB   1 ? 
ATOM   906  C  CG   . ARG   A 1 57  ? -17.189 13.861  14.541  1.000 24.481 0 169 ARG   A CG   1 ? 
ATOM   907  C  CD   . ARG   A 1 57  ? -15.983 13.654  15.439  1.000 25.402 0 169 ARG   A CD   1 ? 
ATOM   908  N  NE   . ARG   A 1 57  ? -16.299 12.974  16.699  1.000 26.538 0 169 ARG   A NE   1 ? 
ATOM   909  C  CZ   . ARG   A 1 57  ? -15.396 12.605  17.603  1.000 27.731 0 169 ARG   A CZ   1 ? 
ATOM   910  N  NH1  . ARG   A 1 57  ? -15.778 11.952  18.687  1.000 28.626 0 169 ARG   A NH1  1 ? 
ATOM   911  N  NH2  . ARG   A 1 57  ? -14.113 12.873  17.414  1.000 28.605 0 169 ARG   A NH2  1 ? 
ATOM   912  H  H    . ARG   A 1 57  ? -20.126 13.963  14.003  1.000 23.875 0 169 ARG   A H    1 c 
ATOM   913  H  HA   . ARG   A 1 57  ? -18.293 12.963  12.147  1.000 22.998 0 169 ARG   A HA   1 c 
ATOM   914  H  HB2  . ARG   A 1 57  ? -18.418 12.246  14.908  1.000 23.739 0 169 ARG   A HB2  1 c 
ATOM   915  H  HB3  . ARG   A 1 57  ? -17.229 11.896  13.918  1.000 23.685 0 169 ARG   A HB3  1 c 
ATOM   916  H  HG2  . ARG   A 1 57  ? -16.899 14.326  13.728  1.000 24.493 0 169 ARG   A HG2  1 c 
ATOM   917  H  HG3  . ARG   A 1 57  ? -17.827 14.447  15.002  1.000 24.507 0 169 ARG   A HG3  1 c 
ATOM   918  H  HD2  . ARG   A 1 57  ? -15.314 13.130  14.952  1.000 25.452 0 169 ARG   A HD2  1 c 
ATOM   919  H  HD3  . ARG   A 1 57  ? -15.588 14.528  15.638  1.000 25.429 0 169 ARG   A HD3  1 c 
ATOM   920  H  HE   . ARG   A 1 57  ? -17.136 12.801  16.870  1.000 26.526 0 169 ARG   A HE   1 c 
ATOM   921  H  HH11 . ARG   A 1 57  ? -15.171 11.639  19.250  1.000 28.403 0 169 ARG   A HH11 1 c 
ATOM   922  H  HH12 . ARG   A 1 57  ? -16.638 11.830  18.850  1.000 28.378 0 169 ARG   A HH12 1 c 
ATOM   923  H  HH21 . ARG   A 1 57  ? -13.503 12.443  17.885  1.000 28.347 0 169 ARG   A HH21 1 c 
ATOM   924  H  HH22 . ARG   A 1 57  ? -13.864 13.476  16.817  1.000 28.283 0 169 ARG   A HH22 1 c 
ATOM   925  N  N    . VAL   A 1 58  ? -19.366 10.808  11.572  1.000 20.468 0 170 VAL   A N    1 ? 
ATOM   926  C  CA   . VAL   A 1 58  ? -20.139 9.658   11.127  1.000 19.812 0 170 VAL   A CA   1 ? 
ATOM   927  C  C    . VAL   A 1 58  ? -19.203 8.630   10.490  1.000 19.071 0 170 VAL   A C    1 ? 
ATOM   928  O  O    . VAL   A 1 58  ? -18.218 9.004   9.858   1.000 18.998 0 170 VAL   A O    1 ? 
ATOM   929  C  CB   . VAL   A 1 58  ? -21.240 10.078  10.131  1.000 20.196 0 170 VAL   A CB   1 ? 
ATOM   930  C  CG1  . VAL   A 1 58  ? -20.668 10.732  8.878   1.000 20.157 0 170 VAL   A CG1  1 ? 
ATOM   931  C  CG2  . VAL   A 1 58  ? -22.140 8.909   9.746   1.000 20.313 0 170 VAL   A CG2  1 ? 
ATOM   932  H  H    . VAL   A 1 58  ? -18.630 11.051  11.087  1.000 20.587 0 170 VAL   A H    1 c 
ATOM   933  H  HA   . VAL   A 1 58  ? -20.564 9.250   11.906  1.000 19.879 0 170 VAL   A HA   1 c 
ATOM   934  H  HB   . VAL   A 1 58  ? -21.801 10.748  10.587  1.000 20.154 0 170 VAL   A HB   1 c 
ATOM   935  H  HG11 . VAL   A 1 58  ? -20.123 10.090  8.392   1.000 20.151 0 170 VAL   A HG11 1 c 
ATOM   936  H  HG12 . VAL   A 1 58  ? -20.121 11.496  9.129   1.000 20.159 0 170 VAL   A HG12 1 c 
ATOM   937  H  HG13 . VAL   A 1 58  ? -21.396 11.032  8.308   1.000 20.158 0 170 VAL   A HG13 1 c 
ATOM   938  H  HG21 . VAL   A 1 58  ? -22.855 9.228   9.169   1.000 20.282 0 170 VAL   A HG21 1 c 
ATOM   939  H  HG22 . VAL   A 1 58  ? -22.525 8.517   10.548  1.000 20.286 0 170 VAL   A HG22 1 c 
ATOM   940  H  HG23 . VAL   A 1 58  ? -21.622 8.237   9.274   1.000 20.262 0 170 VAL   A HG23 1 c 
ATOM   941  N  N    . ILE   A 1 59  ? -19.539 7.341   10.648  1.000 18.670 0 171 ILE   A N    1 ? 
ATOM   942  C  CA   . ILE   A 1 59  ? -18.921 6.262   9.889   1.000 18.786 0 171 ILE   A CA   1 ? 
ATOM   943  C  C    . ILE   A 1 59  ? -19.830 5.932   8.707   1.000 17.899 0 171 ILE   A C    1 ? 
ATOM   944  O  O    . ILE   A 1 59  ? -20.998 5.616   8.913   1.000 18.866 0 171 ILE   A O    1 ? 
ATOM   945  C  CB   . ILE   A 1 59  ? -18.696 5.003   10.752  1.000 19.807 0 171 ILE   A CB   1 ? 
ATOM   946  C  CG1  . ILE   A 1 59  ? -18.079 5.313   12.119  1.000 20.708 0 171 ILE   A CG1  1 ? 
ATOM   947  C  CG2  . ILE   A 1 59  ? -17.875 3.965   9.985   1.000 20.092 0 171 ILE   A CG2  1 ? 
ATOM   948  C  CD1  . ILE   A 1 59  ? -16.630 5.754   12.064  1.000 20.894 0 171 ILE   A CD1  1 ? 
ATOM   949  H  H    . ILE   A 1 59  ? -20.187 7.127   11.256  1.000 18.792 0 171 ILE   A H    1 c 
ATOM   950  H  HA   . ILE   A 1 59  ? -18.056 6.567   9.552   1.000 18.746 0 171 ILE   A HA   1 c 
ATOM   951  H  HB   . ILE   A 1 59  ? -19.575 4.610   10.919  1.000 19.830 0 171 ILE   A HB   1 c 
ATOM   952  H  HG12 . ILE   A 1 59  ? -18.605 6.016   12.551  1.000 20.547 0 171 ILE   A HG12 1 c 
ATOM   953  H  HG13 . ILE   A 1 59  ? -18.140 4.511   12.677  1.000 20.558 0 171 ILE   A HG13 1 c 
ATOM   954  H  HG21 . ILE   A 1 59  ? -17.665 3.218   10.571  1.000 20.018 0 171 ILE   A HG21 1 c 
ATOM   955  H  HG22 . ILE   A 1 59  ? -17.049 4.369   9.669   1.000 20.071 0 171 ILE   A HG22 1 c 
ATOM   956  H  HG23 . ILE   A 1 59  ? -18.386 3.641   9.224   1.000 20.016 0 171 ILE   A HG23 1 c 
ATOM   957  H  HD11 . ILE   A 1 59  ? -16.073 5.028   11.725  1.000 20.851 0 171 ILE   A HD11 1 c 
ATOM   958  H  HD12 . ILE   A 1 59  ? -16.332 5.997   12.961  1.000 20.833 0 171 ILE   A HD12 1 c 
ATOM   959  H  HD13 . ILE   A 1 59  ? -16.545 6.528   11.475  1.000 20.830 0 171 ILE   A HD13 1 c 
ATOM   960  N  N    . VAL   A 1 60  ? -19.285 5.993   7.485   1.000 16.938 0 172 VAL   A N    1 ? 
ATOM   961  C  CA   . VAL   A 1 60  ? -19.989 5.579   6.281   1.000 16.781 0 172 VAL   A CA   1 ? 
ATOM   962  C  C    . VAL   A 1 60  ? -19.343 4.304   5.741   1.000 16.272 0 172 VAL   A C    1 ? 
ATOM   963  O  O    . VAL   A 1 60  ? -18.127 4.269   5.545   1.000 16.618 0 172 VAL   A O    1 ? 
ATOM   964  C  CB   . VAL   A 1 60  ? -19.978 6.692   5.213   1.000 17.561 0 172 VAL   A CB   1 ? 
ATOM   965  C  CG1  . VAL   A 1 60  ? -20.669 6.257   3.925   1.000 17.758 0 172 VAL   A CG1  1 ? 
ATOM   966  C  CG2  . VAL   A 1 60  ? -20.595 7.986   5.731   1.000 17.902 0 172 VAL   A CG2  1 ? 
ATOM   967  H  H    . VAL   A 1 60  ? -18.433 6.312   7.400   1.000 17.055 0 172 VAL   A H    1 c 
ATOM   968  H  HA   . VAL   A 1 60  ? -20.917 5.384   6.514   1.000 16.799 0 172 VAL   A HA   1 c 
ATOM   969  H  HB   . VAL   A 1 60  ? -19.034 6.876   4.998   1.000 17.505 0 172 VAL   A HB   1 c 
ATOM   970  H  HG11 . VAL   A 1 60  ? -21.577 5.972   4.123   1.000 17.747 0 172 VAL   A HG11 1 c 
ATOM   971  H  HG12 . VAL   A 1 60  ? -20.179 5.519   3.523   1.000 17.718 0 172 VAL   A HG12 1 c 
ATOM   972  H  HG13 . VAL   A 1 60  ? -20.694 7.003   3.302   1.000 17.709 0 172 VAL   A HG13 1 c 
ATOM   973  H  HG21 . VAL   A 1 60  ? -20.596 8.651   5.023   1.000 17.817 0 172 VAL   A HG21 1 c 
ATOM   974  H  HG22 . VAL   A 1 60  ? -20.075 8.317   6.483   1.000 17.841 0 172 VAL   A HG22 1 c 
ATOM   975  H  HG23 . VAL   A 1 60  ? -21.508 7.819   6.017   1.000 17.872 0 172 VAL   A HG23 1 c 
ATOM   976  N  N    . CYS   A 1 61  ? -20.168 3.278   5.491   1.000 15.871 0 173 CYS   A N    1 ? 
ATOM   977  C  CA   . CYS   A 1 61  ? -19.734 2.054   4.831   1.000 15.841 0 173 CYS   A CA   1 ? 
ATOM   978  C  C    . CYS   A 1 61  ? -20.523 1.837   3.542   1.000 15.395 0 173 CYS   A C    1 ? 
ATOM   979  O  O    . CYS   A 1 61  ? -21.716 2.133   3.481   1.000 15.705 0 173 CYS   A O    1 ? 
ATOM   980  C  CB   . CYS   A 1 61  ? -19.889 0.847   5.746   1.000 16.487 0 173 CYS   A CB   1 ? 
ATOM   981  S  SG   . CYS   A 1 61  ? -18.879 0.962   7.244   1.000 18.161 0 173 CYS   A SG   1 ? 
ATOM   982  H  H    . CYS   A 1 61  ? -21.043 3.344   5.747   1.000 15.894 0 173 CYS   A H    1 c 
ATOM   983  H  HA   . CYS   A 1 61  ? -18.781 2.154   4.601   1.000 15.865 0 173 CYS   A HA   1 c 
ATOM   984  H  HB2  . CYS   A 1 61  ? -20.832 0.760   6.010   1.000 16.528 0 173 CYS   A HB2  1 c 
ATOM   985  H  HB3  . CYS   A 1 61  ? -19.633 0.035   5.257   1.000 16.548 0 173 CYS   A HB3  1 c 
ATOM   986  H  HG   . CYS   A 1 61  ? -19.211 -0.088  7.766   0.000 18.336 0 173 CYS   A HG   1 c 
ATOM   987  N  N    . ASN   A 1 62  ? -19.863 1.285   2.516   1.000 15.070 0 174 ASN   A N    1 ? 
ATOM   988  C  CA   . ASN   A 1 62  ? -20.515 1.052   1.236   1.000 15.184 0 174 ASN   A CA   1 ? 
ATOM   989  C  C    . ASN   A 1 62  ? -19.699 0.073   0.392   1.000 15.071 0 174 ASN   A C    1 ? 
ATOM   990  O  O    . ASN   A 1 62  ? -18.602 -0.332  0.779   1.000 14.659 0 174 ASN   A O    1 ? 
ATOM   991  C  CB   . ASN   A 1 62  ? -20.743 2.369   0.497   1.000 15.416 0 174 ASN   A CB   1 ? 
ATOM   992  C  CG   . ASN   A 1 62  ? -21.926 2.346   -0.446  1.000 15.758 0 174 ASN   A CG   1 ? 
ATOM   993  O  OD1  . ASN   A 1 62  ? -22.534 1.294   -0.685  1.000 16.236 0 174 ASN   A OD1  1 ? 
ATOM   994  N  ND2  . ASN   A 1 62  ? -22.260 3.498   -1.006  1.000 16.313 0 174 ASN   A ND2  1 ? 
ATOM   995  H  H    . ASN   A 1 62  ? -18.986 1.047   2.617   1.000 15.162 0 174 ASN   A H    1 c 
ATOM   996  H  HA   . ASN   A 1 62  ? -21.396 0.650   1.410   1.000 15.207 0 174 ASN   A HA   1 c 
ATOM   997  H  HB2  . ASN   A 1 62  ? -20.879 3.082   1.152   1.000 15.434 0 174 ASN   A HB2  1 c 
ATOM   998  H  HB3  . ASN   A 1 62  ? -19.938 2.587   -0.014  1.000 15.433 0 174 ASN   A HB3  1 c 
ATOM   999  H  HD21 . ASN   A 1 62  ? -21.824 4.239   -0.787  1.000 16.151 0 174 ASN   A HD21 1 c 
ATOM   1000 H  HD22 . ASN   A 1 62  ? -22.917 3.530   -1.599  1.000 16.189 0 174 ASN   A HD22 1 c 
ATOM   1001 N  N    . THR   A 1 63  ? -20.279 -0.290  -0.760  1.000 15.194 0 175 THR   A N    1 ? 
ATOM   1002 C  CA   . THR   A 1 63  ? -19.679 -1.134  -1.781  1.000 15.443 0 175 THR   A CA   1 ? 
ATOM   1003 C  C    . THR   A 1 63  ? -19.749 -0.386  -3.112  1.000 16.179 0 175 THR   A C    1 ? 
ATOM   1004 O  O    . THR   A 1 63  ? -20.732 0.306   -3.368  1.000 16.746 0 175 THR   A O    1 ? 
ATOM   1005 C  CB   . THR   A 1 63  ? -20.460 -2.451  -1.826  1.000 15.581 0 175 THR   A CB   1 ? 
ATOM   1006 O  OG1  . THR   A 1 63  ? -20.204 -3.139  -0.604  1.000 15.723 0 175 THR   A OG1  1 ? 
ATOM   1007 C  CG2  . THR   A 1 63  ? -20.103 -3.341  -3.003  1.000 15.515 0 175 THR   A CG2  1 ? 
ATOM   1008 H  H    . THR   A 1 63  ? -21.132 -0.000  -0.909  1.000 15.227 0 175 THR   A H    1 c 
ATOM   1009 H  HA   . THR   A 1 63  ? -18.744 -1.314  -1.547  1.000 15.470 0 175 THR   A HA   1 c 
ATOM   1010 H  HB   . THR   A 1 63  ? -21.423 -2.245  -1.879  1.000 15.588 0 175 THR   A HB   1 c 
ATOM   1011 H  HG1  . THR   A 1 63  ? -19.358 -3.326  -0.519  0.000 15.931 0 175 THR   A HG1  1 c 
ATOM   1012 H  HG21 . THR   A 1 63  ? -20.631 -4.156  -2.965  1.000 15.522 0 175 THR   A HG21 1 c 
ATOM   1013 H  HG22 . THR   A 1 63  ? -19.160 -3.568  -2.966  1.000 15.514 0 175 THR   A HG22 1 c 
ATOM   1014 H  HG23 . THR   A 1 63  ? -20.291 -2.874  -3.834  1.000 15.555 0 175 THR   A HG23 1 c 
ATOM   1015 N  N    . LYS   A 1 64  ? -18.701 -0.509  -3.940  1.000 16.734 0 176 LYS   A N    1 ? 
ATOM   1016 C  CA   . LYS   A 1 64  ? -18.684 0.058   -5.281  1.000 17.435 0 176 LYS   A CA   1 ? 
ATOM   1017 C  C    . LYS   A 1 64  ? -18.636 -1.079  -6.301  1.000 17.172 0 176 LYS   A C    1 ? 
ATOM   1018 O  O    . LYS   A 1 64  ? -17.710 -1.884  -6.278  1.000 17.604 0 176 LYS   A O    1 ? 
ATOM   1019 C  CB   . LYS   A 1 64  ? -17.481 1.000   -5.428  1.000 18.858 0 176 LYS   A CB   1 ? 
ATOM   1020 C  CG   . LYS   A 1 64  ? -17.497 1.954   -6.618  1.000 20.356 0 176 LYS   A CG   1 ? 
ATOM   1021 C  CD   . LYS   A 1 64  ? -16.174 2.692   -6.800  1.000 21.977 0 176 LYS   A CD   1 ? 
ATOM   1022 C  CE   . LYS   A 1 64  ? -16.301 3.978   -7.554  1.000 23.846 0 176 LYS   A CE   1 ? 
ATOM   1023 N  NZ   . LYS   A 1 64  ? -14.992 4.597   -7.772  1.000 25.381 0 176 LYS   A NZ   1 ? 
ATOM   1024 H  H    . LYS   A 1 64  ? -17.964 -0.967  -3.653  1.000 16.714 0 176 LYS   A H    1 c 
ATOM   1025 H  HA   . LYS   A 1 64  ? -19.514 0.578   -5.415  1.000 17.447 0 176 LYS   A HA   1 c 
ATOM   1026 H  HB2  . LYS   A 1 64  ? -17.412 1.537   -4.610  1.000 18.823 0 176 LYS   A HB2  1 c 
ATOM   1027 H  HB3  . LYS   A 1 64  ? -16.669 0.454   -5.487  1.000 18.871 0 176 LYS   A HB3  1 c 
ATOM   1028 H  HG2  . LYS   A 1 64  ? -17.695 1.441   -7.431  1.000 20.294 0 176 LYS   A HG2  1 c 
ATOM   1029 H  HG3  . LYS   A 1 64  ? -18.217 2.609   -6.488  1.000 20.268 0 176 LYS   A HG3  1 c 
ATOM   1030 H  HD2  . LYS   A 1 64  ? -15.790 2.879   -5.916  1.000 21.942 0 176 LYS   A HD2  1 c 
ATOM   1031 H  HD3  . LYS   A 1 64  ? -15.548 2.105   -7.278  1.000 22.007 0 176 LYS   A HD3  1 c 
ATOM   1032 H  HE2  . LYS   A 1 64  ? -16.725 3.816   -8.415  1.000 23.717 0 176 LYS   A HE2  1 c 
ATOM   1033 H  HE3  . LYS   A 1 64  ? -16.862 4.595   -7.050  1.000 23.687 0 176 LYS   A HE3  1 c 
ATOM   1034 H  HZ1  . LYS   A 1 64  ? -14.482 4.059   -8.292  1.000 25.045 0 176 LYS   A HZ1  1 c 
ATOM   1035 H  HZ2  . LYS   A 1 64  ? -14.576 4.725   -6.977  1.000 24.992 0 176 LYS   A HZ2  1 c 
ATOM   1036 H  HZ3  . LYS   A 1 64  ? -15.097 5.398   -8.185  1.000 25.046 0 176 LYS   A HZ3  1 c 
ATOM   1037 N  N    . LEU   A 1 65  ? -19.645 -1.151  -7.181  1.000 17.367 0 177 LEU   A N    1 ? 
ATOM   1038 C  CA   . LEU   A 1 65  ? -19.724 -2.174  -8.216  1.000 18.246 0 177 LEU   A CA   1 ? 
ATOM   1039 C  C    . LEU   A 1 65  ? -19.799 -1.493  -9.579  1.000 19.212 0 177 LEU   A C    1 ? 
ATOM   1040 O  O    . LEU   A 1 65  ? -20.632 -0.611  -9.776  1.000 19.572 0 177 LEU   A O    1 ? 
ATOM   1041 C  CB   . LEU   A 1 65  ? -20.945 -3.068  -7.994  1.000 18.926 0 177 LEU   A CB   1 ? 
ATOM   1042 C  CG   . LEU   A 1 65  ? -21.012 -3.811  -6.656  1.000 19.619 0 177 LEU   A CG   1 ? 
ATOM   1043 C  CD1  . LEU   A 1 65  ? -22.318 -4.578  -6.542  1.000 20.016 0 177 LEU   A CD1  1 ? 
ATOM   1044 C  CD2  . LEU   A 1 65  ? -19.831 -4.741  -6.462  1.000 20.038 0 177 LEU   A CD2  1 ? 
ATOM   1045 H  H    . LEU   A 1 65  ? -20.317 -0.533  -7.132  1.000 17.442 0 177 LEU   A H    1 c 
ATOM   1046 H  HA   . LEU   A 1 65  ? -18.905 -2.725  -8.179  1.000 18.323 0 177 LEU   A HA   1 c 
ATOM   1047 H  HB2  . LEU   A 1 65  ? -21.752 -2.511  -8.079  1.000 18.899 0 177 LEU   A HB2  1 c 
ATOM   1048 H  HB3  . LEU   A 1 65  ? -20.971 -3.735  -8.719  1.000 18.922 0 177 LEU   A HB3  1 c 
ATOM   1049 H  HG   . LEU   A 1 65  ? -20.992 -3.137  -5.930  1.000 19.613 0 177 LEU   A HG   1 c 
ATOM   1050 H  HD11 . LEU   A 1 65  ? -23.065 -3.961  -6.610  1.000 19.947 0 177 LEU   A HD11 1 c 
ATOM   1051 H  HD12 . LEU   A 1 65  ? -22.352 -5.034  -5.684  1.000 19.926 0 177 LEU   A HD12 1 c 
ATOM   1052 H  HD13 . LEU   A 1 65  ? -22.373 -5.234  -7.258  1.000 19.939 0 177 LEU   A HD13 1 c 
ATOM   1053 H  HD21 . LEU   A 1 65  ? -19.009 -4.224  -6.433  1.000 19.947 0 177 LEU   A HD21 1 c 
ATOM   1054 H  HD22 . LEU   A 1 65  ? -19.790 -5.372  -7.201  1.000 19.938 0 177 LEU   A HD22 1 c 
ATOM   1055 H  HD23 . LEU   A 1 65  ? -19.936 -5.228  -5.627  1.000 19.926 0 177 LEU   A HD23 1 c 
ATOM   1056 N  N    . ASP   A 1 66  ? -18.937 -1.912  -10.518 1.000 20.432 0 178 ASP   A N    1 ? 
ATOM   1057 C  CA   . ASP   A 1 66  ? -18.916 -1.338  -11.857 1.000 22.345 0 178 ASP   A CA   1 ? 
ATOM   1058 C  C    . ASP   A 1 66  ? -18.851 0.187   -11.757 1.000 22.493 0 178 ASP   A C    1 ? 
ATOM   1059 O  O    . ASP   A 1 66  ? -19.520 0.900   -12.507 1.000 22.714 0 178 ASP   A O    1 ? 
ATOM   1060 C  CB   . ASP   A 1 66  ? -20.091 -1.848  -12.681 1.000 24.109 0 178 ASP   A CB   1 ? 
ATOM   1061 C  CG   . ASP   A 1 66  ? -20.044 -3.327  -13.041 1.000 26.106 0 178 ASP   A CG   1 ? 
ATOM   1062 O  OD1  . ASP   A 1 66  ? -18.962 -3.935  -12.899 1.000 27.531 0 178 ASP   A OD1  1 ? 
ATOM   1063 O  OD2  . ASP   A 1 66  ? -21.092 -3.864  -13.457 1.000 28.279 0 178 ASP   A OD2  1 ? 
ATOM   1064 H  H    . ASP   A 1 66  ? -18.345 -2.580  -10.319 1.000 20.383 0 178 ASP   A H    1 c 
ATOM   1065 H  HA   . ASP   A 1 66  ? -18.097 -1.646  -12.305 1.000 22.281 0 178 ASP   A HA   1 c 
ATOM   1066 H  HB2  . ASP   A 1 66  ? -20.924 -1.679  -12.193 1.000 24.041 0 178 ASP   A HB2  1 c 
ATOM   1067 H  HB3  . ASP   A 1 66  ? -20.129 -1.343  -13.520 1.000 24.071 0 178 ASP   A HB3  1 c 
ATOM   1068 N  N    . ASN   A 1 67  ? -18.050 0.665   -10.794 1.000 22.516 0 179 ASN   A N    1 ? 
ATOM   1069 C  CA   . ASN   A 1 67  ? -17.753 2.076   -10.601 1.000 23.855 0 179 ASN   A CA   1 ? 
ATOM   1070 C  C    . ASN   A 1 67  ? -18.961 2.846   -10.057 1.000 24.212 0 179 ASN   A C    1 ? 
ATOM   1071 O  O    . ASN   A 1 67  ? -18.959 4.072   -10.102 1.000 25.749 0 179 ASN   A O    1 ? 
ATOM   1072 C  CB   . ASN   A 1 67  ? -17.192 2.690   -11.883 1.000 24.490 0 179 ASN   A CB   1 ? 
ATOM   1073 C  CG   . ASN   A 1 67  ? -15.897 3.431   -11.646 1.000 24.459 0 179 ASN   A CG   1 ? 
ATOM   1074 O  OD1  . ASN   A 1 67  ? -15.031 2.948   -10.905 1.000 24.122 0 179 ASN   A OD1  1 ? 
ATOM   1075 N  ND2  . ASN   A 1 67  ? -15.733 4.587   -12.272 1.000 24.813 0 179 ASN   A ND2  1 ? 
ATOM   1076 H  H    . ASN   A 1 67  ? -17.648 0.068   -10.231 1.000 22.719 0 179 ASN   A H    1 c 
ATOM   1077 H  HA   . ASN   A 1 67  ? -17.046 2.131   -9.922  1.000 23.771 0 179 ASN   A HA   1 c 
ATOM   1078 H  HB2  . ASN   A 1 67  ? -17.035 1.982   -12.538 1.000 24.309 0 179 ASN   A HB2  1 c 
ATOM   1079 H  HB3  . ASN   A 1 67  ? -17.851 3.307   -12.260 1.000 24.402 0 179 ASN   A HB3  1 c 
ATOM   1080 H  HD21 . ASN   A 1 67  ? -16.347 4.880   -12.841 1.000 24.705 0 179 ASN   A HD21 1 c 
ATOM   1081 H  HD22 . ASN   A 1 67  ? -15.001 5.067   -12.125 1.000 24.733 0 179 ASN   A HD22 1 c 
ATOM   1082 N  N    . ASN   A 1 68  ? -19.965 2.142   -9.507  1.000 23.573 0 180 ASN   A N    1 ? 
ATOM   1083 C  CA   . ASN   A 1 68  ? -21.140 2.777   -8.921  1.000 23.716 0 180 ASN   A CA   1 ? 
ATOM   1084 C  C    . ASN   A 1 68  ? -21.235 2.449   -7.432  1.000 21.277 0 180 ASN   A C    1 ? 
ATOM   1085 O  O    . ASN   A 1 68  ? -21.253 1.279   -7.057  1.000 20.395 0 180 ASN   A O    1 ? 
ATOM   1086 C  CB   . ASN   A 1 68  ? -22.439 2.327   -9.583  1.000 25.051 0 180 ASN   A CB   1 ? 
ATOM   1087 C  CG   . ASN   A 1 68  ? -22.453 2.576   -11.071 1.000 26.992 0 180 ASN   A CG   1 ? 
ATOM   1088 O  OD1  . ASN   A 1 68  ? -22.685 1.646   -11.853 1.000 29.409 0 180 ASN   A OD1  1 ? 
ATOM   1089 N  ND2  . ASN   A 1 68  ? -22.218 3.811   -11.484 1.000 27.738 0 180 ASN   A ND2  1 ? 
ATOM   1090 H  H    . ASN   A 1 68  ? -19.910 1.231   -9.484  1.000 23.707 0 180 ASN   A H    1 c 
ATOM   1091 H  HA   . ASN   A 1 68  ? -21.066 3.751   -9.033  1.000 23.416 0 180 ASN   A HA   1 c 
ATOM   1092 H  HB2  . ASN   A 1 68  ? -22.566 1.371   -9.419  1.000 25.120 0 180 ASN   A HB2  1 c 
ATOM   1093 H  HB3  . ASN   A 1 68  ? -23.188 2.804   -9.173  1.000 25.062 0 180 ASN   A HB3  1 c 
ATOM   1094 H  HD21 . ASN   A 1 68  ? -22.303 4.492   -10.920 1.000 27.450 0 180 ASN   A HD21 1 c 
ATOM   1095 H  HD22 . ASN   A 1 68  ? -21.977 3.958   -12.325 1.000 27.525 0 180 ASN   A HD22 1 c 
ATOM   1096 N  N    . TRP   A 1 69  ? -21.334 3.488   -6.592  1.000 20.023 0 181 TRP   A N    1 ? 
ATOM   1097 C  CA   . TRP   A 1 69  ? -21.567 3.308   -5.167  1.000 19.261 0 181 TRP   A CA   1 ? 
ATOM   1098 C  C    . TRP   A 1 69  ? -22.993 2.814   -4.932  1.000 19.468 0 181 TRP   A C    1 ? 
ATOM   1099 O  O    . TRP   A 1 69  ? -23.919 3.264   -5.602  1.000 20.309 0 181 TRP   A O    1 ? 
ATOM   1100 C  CB   . TRP   A 1 69  ? -21.294 4.610   -4.400  1.000 19.240 0 181 TRP   A CB   1 ? 
ATOM   1101 C  CG   . TRP   A 1 69  ? -19.830 4.956   -4.318  1.000 18.885 0 181 TRP   A CG   1 ? 
ATOM   1102 C  CD1  . TRP   A 1 69  ? -19.165 5.942   -4.988  1.000 19.159 0 181 TRP   A CD1  1 ? 
ATOM   1103 C  CD2  . TRP   A 1 69  ? -18.835 4.261   -3.536  1.000 18.676 0 181 TRP   A CD2  1 ? 
ATOM   1104 N  NE1  . TRP   A 1 69  ? -17.837 5.927   -4.659  1.000 19.336 0 181 TRP   A NE1  1 ? 
ATOM   1105 C  CE2  . TRP   A 1 69  ? -17.601 4.902   -3.780  1.000 19.057 0 181 TRP   A CE2  1 ? 
ATOM   1106 C  CE3  . TRP   A 1 69  ? -18.870 3.169   -2.661  1.000 18.701 0 181 TRP   A CE3  1 ? 
ATOM   1107 C  CZ2  . TRP   A 1 69  ? -16.420 4.484   -3.172  1.000 18.818 0 181 TRP   A CZ2  1 ? 
ATOM   1108 C  CZ3  . TRP   A 1 69  ? -17.698 2.755   -2.066  1.000 18.949 0 181 TRP   A CZ3  1 ? 
ATOM   1109 C  CH2  . TRP   A 1 69  ? -16.491 3.403   -2.322  1.000 18.814 0 181 TRP   A CH2  1 ? 
ATOM   1110 H  H    . TRP   A 1 69  ? -21.252 4.338   -6.919  1.000 20.098 0 181 TRP   A H    1 c 
ATOM   1111 H  HA   . TRP   A 1 69  ? -20.934 2.615   -4.835  1.000 19.411 0 181 TRP   A HA   1 c 
ATOM   1112 H  HB2  . TRP   A 1 69  ? -21.770 5.343   -4.845  1.000 19.188 0 181 TRP   A HB2  1 c 
ATOM   1113 H  HB3  . TRP   A 1 69  ? -21.650 4.519   -3.491  1.000 19.171 0 181 TRP   A HB3  1 c 
ATOM   1114 H  HD1  . TRP   A 1 69  ? -19.561 6.563   -5.578  1.000 19.126 0 181 TRP   A HD1  1 c 
ATOM   1115 H  HE1  . TRP   A 1 69  ? -17.234 6.476   -4.971  1.000 19.219 0 181 TRP   A HE1  1 c 
ATOM   1116 H  HE3  . TRP   A 1 69  ? -19.681 2.725   -2.484  1.000 18.753 0 181 TRP   A HE3  1 c 
ATOM   1117 H  HZ2  . TRP   A 1 69  ? -15.602 4.919   -3.345  1.000 18.833 0 181 TRP   A HZ2  1 c 
ATOM   1118 H  HZ3  . TRP   A 1 69  ? -17.713 2.020   -1.476  1.000 18.862 0 181 TRP   A HZ3  1 c 
ATOM   1119 H  HH2  . TRP   A 1 69  ? -15.707 3.100   -1.900  1.000 18.800 0 181 TRP   A HH2  1 c 
ATOM   1120 N  N    . GLY   A 1 70  ? -23.150 1.890   -3.975  1.000 18.875 0 182 GLY   A N    1 ? 
ATOM   1121 C  CA   . GLY   A 1 70  ? -24.450 1.336   -3.628  1.000 19.129 0 182 GLY   A CA   1 ? 
ATOM   1122 C  C    . GLY   A 1 70  ? -25.083 2.103   -2.471  1.000 19.383 0 182 GLY   A C    1 ? 
ATOM   1123 O  O    . GLY   A 1 70  ? -24.847 3.299   -2.310  1.000 18.878 0 182 GLY   A O    1 ? 
ATOM   1124 H  H    . GLY   A 1 70  ? -22.415 1.593   -3.520  1.000 18.960 0 182 GLY   A H    1 c 
ATOM   1125 H  HA2  . GLY   A 1 70  ? -25.043 1.374   -4.415  1.000 19.138 0 182 GLY   A HA2  1 c 
ATOM   1126 H  HA3  . GLY   A 1 70  ? -24.340 0.390   -3.376  1.000 19.122 0 182 GLY   A HA3  1 c 
ATOM   1127 N  N    . ARG   A 1 71  ? -25.882 1.398   -1.663  1.000 19.866 0 183 ARG   A N    1 ? 
ATOM   1128 C  CA   A ARG   A 1 71  ? -26.563 1.996   -0.525  0.500 20.653 0 183 ARG   A CA   1 ? 
ATOM   1129 C  CA   B ARG   A 1 71  ? -26.557 2.004   -0.528  0.500 20.561 0 183 ARG   A CA   1 ? 
ATOM   1130 C  C    . ARG   A 1 71  ? -25.600 2.099   0.657   1.000 20.081 0 183 ARG   A C    1 ? 
ATOM   1131 O  O    . ARG   A 1 71  ? -25.000 1.103   1.054   1.000 20.637 0 183 ARG   A O    1 ? 
ATOM   1132 C  CB   A ARG   A 1 71  ? -27.787 1.168   -0.119  0.500 21.577 0 183 ARG   A CB   1 ? 
ATOM   1133 C  CB   B ARG   A 1 71  ? -27.785 1.189   -0.117  0.500 21.319 0 183 ARG   A CB   1 ? 
ATOM   1134 C  CG   A ARG   A 1 71  ? -28.944 1.205   -1.108  0.500 22.342 0 183 ARG   A CG   1 ? 
ATOM   1135 C  CG   B ARG   A 1 71  ? -28.370 1.649   1.209   0.500 22.013 0 183 ARG   A CG   1 ? 
ATOM   1136 C  CD   A ARG   A 1 71  ? -30.164 0.472   -0.573  0.500 23.029 0 183 ARG   A CD   1 ? 
ATOM   1137 C  CD   B ARG   A 1 71  ? -29.783 1.159   1.353   0.500 22.321 0 183 ARG   A CD   1 ? 
ATOM   1138 N  NE   A ARG   A 1 71  ? -31.238 0.387   -1.567  0.500 23.974 0 183 ARG   A NE   1 ? 
ATOM   1139 N  NE   B ARG   A 1 71  ? -30.694 1.794   0.396   0.500 22.563 0 183 ARG   A NE   1 ? 
ATOM   1140 C  CZ   A ARG   A 1 71  ? -32.274 1.216   -1.612  0.500 24.737 0 183 ARG   A CZ   1 ? 
ATOM   1141 C  CZ   B ARG   A 1 71  ? -31.157 3.035   0.502   0.500 22.328 0 183 ARG   A CZ   1 ? 
ATOM   1142 N  NH1  A ARG   A 1 71  ? -33.250 1.012   -2.477  0.500 24.956 0 183 ARG   A NH1  1 ? 
ATOM   1143 N  NH1  B ARG   A 1 71  ? -30.796 3.788   1.522   0.500 21.922 0 183 ARG   A NH1  1 ? 
ATOM   1144 N  NH2  A ARG   A 1 71  ? -32.333 2.242   -0.782  0.500 25.190 0 183 ARG   A NH2  1 ? 
ATOM   1145 N  NH2  B ARG   A 1 71  ? -31.994 3.507   -0.402  0.500 22.109 0 183 ARG   A NH2  1 ? 
ATOM   1146 H  H    . ARG   A 1 71  ? -26.009 0.508   -1.828  1.000 20.009 0 183 ARG   A H    1 c 
ATOM   1147 H  HA   A ARG   A 1 71  ? -26.862 2.906   -0.780  0.500 20.522 0 183 ARG   A HA   1 c 
ATOM   1148 H  HA   B ARG   A 1 71  ? -26.848 2.915   -0.785  0.500 20.439 0 183 ARG   A HA   1 c 
ATOM   1149 H  HB2  A ARG   A 1 71  ? -27.507 0.236   -0.001  0.500 21.538 0 183 ARG   A HB2  1 c 
ATOM   1150 H  HB2  B ARG   A 1 71  ? -28.471 1.269   -0.814  0.500 21.300 0 183 ARG   A HB2  1 c 
ATOM   1151 H  HB3  A ARG   A 1 71  ? -28.109 1.492   0.750   0.500 21.531 0 183 ARG   A HB3  1 c 
ATOM   1152 H  HB3  B ARG   A 1 71  ? -27.534 0.244   -0.046  0.500 21.303 0 183 ARG   A HB3  1 c 
ATOM   1153 H  HG2  A ARG   A 1 71  ? -29.185 2.140   -1.290  0.500 22.314 0 183 ARG   A HG2  1 c 
ATOM   1154 H  HG2  B ARG   A 1 71  ? -27.830 1.295   1.949   0.500 21.914 0 183 ARG   A HG2  1 c 
ATOM   1155 H  HG3  A ARG   A 1 71  ? -28.664 0.791   -1.953  0.500 22.306 0 183 ARG   A HG3  1 c 
ATOM   1156 H  HG3  B ARG   A 1 71  ? -28.361 2.630   1.253   0.500 21.928 0 183 ARG   A HG3  1 c 
ATOM   1157 H  HD2  A ARG   A 1 71  ? -29.902 -0.433  -0.305  0.500 23.074 0 183 ARG   A HD2  1 c 
ATOM   1158 H  HD2  B ARG   A 1 71  ? -29.798 0.190   1.219   0.500 22.311 0 183 ARG   A HD2  1 c 
ATOM   1159 H  HD3  A ARG   A 1 71  ? -30.496 0.937   0.222   0.500 23.066 0 183 ARG   A HD3  1 c 
ATOM   1160 H  HD3  B ARG   A 1 71  ? -30.085 1.349   2.263   0.500 22.306 0 183 ARG   A HD3  1 c 
ATOM   1161 H  HE   A ARG   A 1 71  ? -31.197 -0.246  -2.164  0.500 23.918 0 183 ARG   A HE   1 c 
ATOM   1162 H  HE   B ARG   A 1 71  ? -30.953 1.327   -0.293  0.500 22.473 0 183 ARG   A HE   1 c 
ATOM   1163 H  HH11 A ARG   A 1 71  ? -33.924 1.582   -2.521  0.500 24.913 0 183 ARG   A HH11 1 c 
ATOM   1164 H  HH11 B ARG   A 1 71  ? -31.081 4.623   1.574   0.500 22.042 0 183 ARG   A HH11 1 c 
ATOM   1165 H  HH12 A ARG   A 1 71  ? -33.224 0.307   -3.010  0.500 24.916 0 183 ARG   A HH12 1 c 
ATOM   1166 H  HH12 B ARG   A 1 71  ? -30.270 3.455   2.150   0.500 21.996 0 183 ARG   A HH12 1 c 
ATOM   1167 H  HH21 A ARG   A 1 71  ? -32.930 2.881   -0.915  0.500 25.097 0 183 ARG   A HH21 1 c 
ATOM   1168 H  HH21 B ARG   A 1 71  ? -32.311 4.328   -0.320  0.500 22.142 0 183 ARG   A HH21 1 c 
ATOM   1169 H  HH22 A ARG   A 1 71  ? -31.772 2.288   -0.099  0.500 25.103 0 183 ARG   A HH22 1 c 
ATOM   1170 H  HH22 B ARG   A 1 71  ? -32.234 3.001   -1.086  0.500 22.164 0 183 ARG   A HH22 1 c 
ATOM   1171 N  N    . GLU   A 1 72  ? -25.486 3.306   1.225   1.000 19.605 0 184 GLU   A N    1 ? 
ATOM   1172 C  CA   . GLU   A 1 72  ? -24.642 3.543   2.386   1.000 19.083 0 184 GLU   A CA   1 ? 
ATOM   1173 C  C    . GLU   A 1 72  ? -25.277 2.949   3.642   1.000 19.102 0 184 GLU   A C    1 ? 
ATOM   1174 O  O    . GLU   A 1 72  ? -26.488 3.034   3.829   1.000 19.417 0 184 GLU   A O    1 ? 
ATOM   1175 C  CB   . GLU   A 1 72  ? -24.435 5.041   2.613   1.000 19.388 0 184 GLU   A CB   1 ? 
ATOM   1176 C  CG   . GLU   A 1 72  ? -23.571 5.697   1.542   1.000 20.050 0 184 GLU   A CG   1 ? 
ATOM   1177 C  CD   . GLU   A 1 72  ? -23.361 7.194   1.688   1.000 20.660 0 184 GLU   A CD   1 ? 
ATOM   1178 O  OE1  . GLU   A 1 72  ? -24.069 7.852   2.481   1.000 21.719 0 184 GLU   A OE1  1 ? 
ATOM   1179 O  OE2  . GLU   A 1 72  ? -22.459 7.700   0.990   1.000 20.709 0 184 GLU   A OE2  1 ? 
ATOM   1180 H  H    . GLU   A 1 72  ? -25.951 4.011   0.876   1.000 19.608 0 184 GLU   A H    1 c 
ATOM   1181 H  HA   . GLU   A 1 72  ? -23.765 3.113   2.230   1.000 19.177 0 184 GLU   A HA   1 c 
ATOM   1182 H  HB2  . GLU   A 1 72  ? -25.310 5.482   2.634   1.000 19.403 0 184 GLU   A HB2  1 c 
ATOM   1183 H  HB3  . GLU   A 1 72  ? -24.013 5.174   3.488   1.000 19.435 0 184 GLU   A HB3  1 c 
ATOM   1184 H  HG2  . GLU   A 1 72  ? -22.691 5.264   1.542   1.000 20.059 0 184 GLU   A HG2  1 c 
ATOM   1185 H  HG3  . GLU   A 1 72  ? -23.976 5.528   0.666   1.000 20.035 0 184 GLU   A HG3  1 c 
ATOM   1186 N  N    . GLU   A 1 73  ? -24.430 2.365   4.498   1.000 19.021 0 185 GLU   A N    1 ? 
ATOM   1187 C  CA   . GLU   A 1 73  ? -24.778 2.026   5.869   1.000 19.368 0 185 GLU   A CA   1 ? 
ATOM   1188 C  C    . GLU   A 1 73  ? -24.001 2.971   6.785   1.000 19.479 0 185 GLU   A C    1 ? 
ATOM   1189 O  O    . GLU   A 1 73  ? -22.781 3.063   6.669   1.000 19.920 0 185 GLU   A O    1 ? 
ATOM   1190 C  CB   . GLU   A 1 73  ? -24.443 0.563   6.168   1.000 19.958 0 185 GLU   A CB   1 ? 
ATOM   1191 C  CG   . GLU   A 1 73  ? -25.222 -0.440  5.319   1.000 20.764 0 185 GLU   A CG   1 ? 
ATOM   1192 C  CD   . GLU   A 1 73  ? -24.820 -1.895  5.504   1.000 21.281 0 185 GLU   A CD   1 ? 
ATOM   1193 O  OE1  . GLU   A 1 73  ? -24.516 -2.283  6.651   1.000 22.617 0 185 GLU   A OE1  1 ? 
ATOM   1194 O  OE2  . GLU   A 1 73  ? -24.851 -2.653  4.510   1.000 21.464 0 185 GLU   A OE2  1 ? 
ATOM   1195 H  H    . GLU   A 1 73  ? -23.587 2.165   4.207   1.000 19.022 0 185 GLU   A H    1 c 
ATOM   1196 H  HA   . GLU   A 1 73  ? -25.749 2.173   6.000   1.000 19.370 0 185 GLU   A HA   1 c 
ATOM   1197 H  HB2  . GLU   A 1 73  ? -23.484 0.423   6.020   1.000 19.986 0 185 GLU   A HB2  1 c 
ATOM   1198 H  HB3  . GLU   A 1 73  ? -24.627 0.385   7.114   1.000 19.997 0 185 GLU   A HB3  1 c 
ATOM   1199 H  HG2  . GLU   A 1 73  ? -26.177 -0.356  5.528   1.000 20.753 0 185 GLU   A HG2  1 c 
ATOM   1200 H  HG3  . GLU   A 1 73  ? -25.110 -0.209  4.373   1.000 20.695 0 185 GLU   A HG3  1 c 
ATOM   1201 N  N    . ARG   A 1 74  ? -24.709 3.674   7.680   1.000 19.671 0 186 ARG   A N    1 ? 
ATOM   1202 C  CA   . ARG   A 1 74  ? -24.124 4.735   8.487   1.000 20.709 0 186 ARG   A CA   1 ? 
ATOM   1203 C  C    . ARG   A 1 74  ? -24.234 4.404   9.975   1.000 22.848 0 186 ARG   A C    1 ? 
ATOM   1204 O  O    . ARG   A 1 74  ? -25.190 3.762   10.406  1.000 23.524 0 186 ARG   A O    1 ? 
ATOM   1205 C  CB   . ARG   A 1 74  ? -24.798 6.073   8.160   1.000 20.987 0 186 ARG   A CB   1 ? 
ATOM   1206 C  CG   . ARG   A 1 74  ? -24.372 6.669   6.826   1.000 21.488 0 186 ARG   A CG   1 ? 
ATOM   1207 C  CD   . ARG   A 1 74  ? -25.389 7.634   6.240   1.000 22.258 0 186 ARG   A CD   1 ? 
ATOM   1208 N  NE   . ARG   A 1 74  ? -24.812 8.424   5.146   1.000 22.689 0 186 ARG   A NE   1 ? 
ATOM   1209 C  CZ   . ARG   A 1 74  ? -24.069 9.522   5.284   1.000 22.728 0 186 ARG   A CZ   1 ? 
ATOM   1210 N  NH1  . ARG   A 1 74  ? -23.965 10.123  6.459   1.000 23.388 0 186 ARG   A NH1  1 ? 
ATOM   1211 N  NH2  . ARG   A 1 74  ? -23.463 10.045  4.232   1.000 22.853 0 186 ARG   A NH2  1 ? 
ATOM   1212 H  H    . ARG   A 1 74  ? -25.595 3.481   7.792   1.000 19.788 0 186 ARG   A H    1 c 
ATOM   1213 H  HA   . ARG   A 1 74  ? -23.167 4.809   8.253   1.000 20.769 0 186 ARG   A HA   1 c 
ATOM   1214 H  HB2  . ARG   A 1 74  ? -25.770 5.943   8.152   1.000 20.999 0 186 ARG   A HB2  1 c 
ATOM   1215 H  HB3  . ARG   A 1 74  ? -24.589 6.714   8.873   1.000 21.025 0 186 ARG   A HB3  1 c 
ATOM   1216 H  HG2  . ARG   A 1 74  ? -23.520 7.141   6.946   1.000 21.505 0 186 ARG   A HG2  1 c 
ATOM   1217 H  HG3  . ARG   A 1 74  ? -24.220 5.941   6.185   1.000 21.496 0 186 ARG   A HG3  1 c 
ATOM   1218 H  HD2  . ARG   A 1 74  ? -26.148 7.120   5.899   1.000 22.183 0 186 ARG   A HD2  1 c 
ATOM   1219 H  HD3  . ARG   A 1 74  ? -25.720 8.233   6.939   1.000 22.210 0 186 ARG   A HD3  1 c 
ATOM   1220 H  HE   . ARG   A 1 74  ? -24.969 8.153   4.333   1.000 22.630 0 186 ARG   A HE   1 c 
ATOM   1221 H  HH11 . ARG   A 1 74  ? -23.751 10.980  6.493   1.000 23.243 0 186 ARG   A HH11 1 c 
ATOM   1222 H  HH12 . ARG   A 1 74  ? -24.103 9.673   7.208   1.000 23.195 0 186 ARG   A HH12 1 c 
ATOM   1223 H  HH21 . ARG   A 1 74  ? -23.026 10.809  4.308   1.000 22.843 0 186 ARG   A HH21 1 c 
ATOM   1224 H  HH22 . ARG   A 1 74  ? -23.493 9.629   3.452   1.000 22.814 0 186 ARG   A HH22 1 c 
ATOM   1225 N  N    . GLN   A 1 75  ? -23.240 4.879   10.740  1.000 24.209 0 187 GLN   A N    1 ? 
ATOM   1226 C  CA   . GLN   A 1 75  ? -23.142 4.689   12.181  1.000 26.326 0 187 GLN   A CA   1 ? 
ATOM   1227 C  C    . GLN   A 1 75  ? -22.668 6.003   12.803  1.000 26.098 0 187 GLN   A C    1 ? 
ATOM   1228 O  O    . GLN   A 1 75  ? -21.690 6.581   12.332  1.000 26.325 0 187 GLN   A O    1 ? 
ATOM   1229 C  CB   . GLN   A 1 75  ? -22.163 3.537   12.429  1.000 28.376 0 187 GLN   A CB   1 ? 
ATOM   1230 C  CG   . GLN   A 1 75  ? -21.717 3.346   13.876  1.000 30.562 0 187 GLN   A CG   1 ? 
ATOM   1231 C  CD   . GLN   A 1 75  ? -22.819 2.846   14.785  1.000 32.884 0 187 GLN   A CD   1 ? 
ATOM   1232 O  OE1  . GLN   A 1 75  ? -23.729 3.593   15.159  1.000 35.421 0 187 GLN   A OE1  1 ? 
ATOM   1233 N  NE2  . GLN   A 1 75  ? -22.734 1.580   15.170  1.000 34.521 0 187 GLN   A NE2  1 ? 
ATOM   1234 H  H    . GLN   A 1 75  ? -22.577 5.355   10.330  1.000 24.237 0 187 GLN   A H    1 c 
ATOM   1235 H  HA   . GLN   A 1 75  ? -24.037 4.459   12.538  1.000 26.151 0 187 GLN   A HA   1 c 
ATOM   1236 H  HB2  . GLN   A 1 75  ? -22.584 2.707   12.120  1.000 28.276 0 187 GLN   A HB2  1 c 
ATOM   1237 H  HB3  . GLN   A 1 75  ? -21.370 3.684   11.875  1.000 28.188 0 187 GLN   A HB3  1 c 
ATOM   1238 H  HG2  . GLN   A 1 75  ? -20.974 2.706   13.900  1.000 30.491 0 187 GLN   A HG2  1 c 
ATOM   1239 H  HG3  . GLN   A 1 75  ? -21.384 4.198   14.228  1.000 30.416 0 187 GLN   A HG3  1 c 
ATOM   1240 H  HE21 . GLN   A 1 75  ? -22.081 1.060   14.869  1.000 34.104 0 187 GLN   A HE21 1 c 
ATOM   1241 H  HE22 . GLN   A 1 75  ? -23.337 1.250   15.732  1.000 34.141 0 187 GLN   A HE22 1 c 
ATOM   1242 N  N    . SER   A 1 76  ? -23.362 6.472   13.852  1.000 26.089 0 188 SER   A N    1 ? 
ATOM   1243 C  CA   . SER   A 1 76  ? -22.995 7.704   14.539  1.000 26.300 0 188 SER   A CA   1 ? 
ATOM   1244 C  C    . SER   A 1 76  ? -21.962 7.442   15.635  1.000 25.311 0 188 SER   A C    1 ? 
ATOM   1245 O  O    . SER   A 1 76  ? -21.235 8.354   16.029  1.000 25.538 0 188 SER   A O    1 ? 
ATOM   1246 C  CB   . SER   A 1 76  ? -24.208 8.406   15.101  1.000 27.071 0 188 SER   A CB   1 ? 
ATOM   1247 O  OG   . SER   A 1 76  ? -25.068 8.844   14.060  1.000 29.554 0 188 SER   A OG   1 ? 
ATOM   1248 H  H    . SER   A 1 76  ? -24.092 6.007   14.148  1.000 26.128 0 188 SER   A H    1 c 
ATOM   1249 H  HA   . SER   A 1 76  ? -22.579 8.309   13.873  1.000 26.220 0 188 SER   A HA   1 c 
ATOM   1250 H  HB2  . SER   A 1 76  ? -24.692 7.795   15.689  1.000 27.356 0 188 SER   A HB2  1 c 
ATOM   1251 H  HB3  . SER   A 1 76  ? -23.920 9.175   15.630  1.000 27.343 0 188 SER   A HB3  1 c 
ATOM   1252 H  HG   . SER   A 1 76  ? -25.766 9.231   14.414  0.000 34.944 0 188 SER   A HG   1 c 
ATOM   1253 N  N    . VAL   A 1 77  ? -21.904 6.202   16.135  1.000 24.054 0 189 VAL   A N    1 ? 
ATOM   1254 C  CA   . VAL   A 1 77  ? -20.873 5.816   17.084  1.000 23.791 0 189 VAL   A CA   1 ? 
ATOM   1255 C  C    . VAL   A 1 77  ? -19.527 6.027   16.396  1.000 22.514 0 189 VAL   A C    1 ? 
ATOM   1256 O  O    . VAL   A 1 77  ? -19.271 5.453   15.341  1.000 22.384 0 189 VAL   A O    1 ? 
ATOM   1257 C  CB   . VAL   A 1 77  ? -21.040 4.368   17.587  1.000 25.019 0 189 VAL   A CB   1 ? 
ATOM   1258 C  CG1  . VAL   A 1 77  ? -19.898 3.934   18.502  1.000 25.707 0 189 VAL   A CG1  1 ? 
ATOM   1259 C  CG2  . VAL   A 1 77  ? -22.379 4.172   18.288  1.000 25.678 0 189 VAL   A CG2  1 ? 
ATOM   1260 H  H    . VAL   A 1 77  ? -22.523 5.581   15.878  1.000 24.250 0 189 VAL   A H    1 c 
ATOM   1261 H  HA   . VAL   A 1 77  ? -20.928 6.416   17.853  1.000 23.774 0 189 VAL   A HA   1 c 
ATOM   1262 H  HB   . VAL   A 1 77  ? -21.026 3.783   16.795  1.000 25.030 0 189 VAL   A HB   1 c 
ATOM   1263 H  HG11 . VAL   A 1 77  ? -19.828 4.551   19.250  1.000 25.554 0 189 VAL   A HG11 1 c 
ATOM   1264 H  HG12 . VAL   A 1 77  ? -19.063 3.931   18.005  1.000 25.561 0 189 VAL   A HG12 1 c 
ATOM   1265 H  HG13 . VAL   A 1 77  ? -20.075 3.039   18.838  1.000 25.553 0 189 VAL   A HG13 1 c 
ATOM   1266 H  HG21 . VAL   A 1 77  ? -22.449 3.255   18.604  1.000 25.532 0 189 VAL   A HG21 1 c 
ATOM   1267 H  HG22 . VAL   A 1 77  ? -23.104 4.355   17.668  1.000 25.558 0 189 VAL   A HG22 1 c 
ATOM   1268 H  HG23 . VAL   A 1 77  ? -22.442 4.779   19.045  1.000 25.537 0 189 VAL   A HG23 1 c 
ATOM   1269 N  N    . PHE   A 1 78  ? -18.687 6.875   16.999  1.000 21.793 0 190 PHE   A N    1 ? 
ATOM   1270 C  CA   . PHE   A 1 78  ? -17.473 7.346   16.356  1.000 20.467 0 190 PHE   A CA   1 ? 
ATOM   1271 C  C    . PHE   A 1 78  ? -16.317 7.251   17.350  1.000 21.105 0 190 PHE   A C    1 ? 
ATOM   1272 O  O    . PHE   A 1 78  ? -16.150 8.126   18.197  1.000 22.293 0 190 PHE   A O    1 ? 
ATOM   1273 C  CB   . PHE   A 1 78  ? -17.698 8.774   15.852  1.000 19.742 0 190 PHE   A CB   1 ? 
ATOM   1274 C  CG   . PHE   A 1 78  ? -16.644 9.260   14.867  1.000 18.642 0 190 PHE   A CG   1 ? 
ATOM   1275 C  CD1  . PHE   A 1 78  ? -15.476 9.874   15.308  1.000 18.486 0 190 PHE   A CD1  1 ? 
ATOM   1276 C  CD2  . PHE   A 1 78  ? -16.833 9.109   13.499  1.000 18.209 0 190 PHE   A CD2  1 ? 
ATOM   1277 C  CE1  . PHE   A 1 78  ? -14.530 10.324  14.400  1.000 18.173 0 190 PHE   A CE1  1 ? 
ATOM   1278 C  CE2  . PHE   A 1 78  ? -15.885 9.563   12.596  1.000 17.789 0 190 PHE   A CE2  1 ? 
ATOM   1279 C  CZ   . PHE   A 1 78  ? -14.733 10.164  13.048  1.000 17.631 0 190 PHE   A CZ   1 ? 
ATOM   1280 H  H    . PHE   A 1 78  ? -18.877 7.169   17.844  1.000 21.635 0 190 PHE   A H    1 c 
ATOM   1281 H  HA   . PHE   A 1 78  ? -17.276 6.765   15.576  1.000 20.667 0 190 PHE   A HA   1 c 
ATOM   1282 H  HB2  . PHE   A 1 78  ? -18.579 8.816   15.420  1.000 19.671 0 190 PHE   A HB2  1 c 
ATOM   1283 H  HB3  . PHE   A 1 78  ? -17.715 9.380   16.626  1.000 19.662 0 190 PHE   A HB3  1 c 
ATOM   1284 H  HD1  . PHE   A 1 78  ? -15.329 9.989   16.233  1.000 18.436 0 190 PHE   A HD1  1 c 
ATOM   1285 H  HD2  . PHE   A 1 78  ? -17.622 8.699   13.182  1.000 18.239 0 190 PHE   A HD2  1 c 
ATOM   1286 H  HE1  . PHE   A 1 78  ? -13.741 10.736  14.711  1.000 18.142 0 190 PHE   A HE1  1 c 
ATOM   1287 H  HE2  . PHE   A 1 78  ? -16.026 9.450   11.669  1.000 17.864 0 190 PHE   A HE2  1 c 
ATOM   1288 H  HZ   . PHE   A 1 78  ? -14.085 10.468  12.432  1.000 17.782 0 190 PHE   A HZ   1 c 
ATOM   1289 N  N    . PRO   A 1 79  ? -15.503 6.173   17.292  1.000 20.849 0 191 PRO   A N    1 ? 
ATOM   1290 C  CA   . PRO   A 1 79  ? -14.435 5.952   18.273  1.000 20.905 0 191 PRO   A CA   1 ? 
ATOM   1291 C  C    . PRO   A 1 79  ? -13.093 6.651   18.053  1.000 21.039 0 191 PRO   A C    1 ? 
ATOM   1292 O  O    . PRO   A 1 79  ? -12.192 6.503   18.875  1.000 22.623 0 191 PRO   A O    1 ? 
ATOM   1293 C  CB   . PRO   A 1 79  ? -14.291 4.423   18.189  1.000 21.040 0 191 PRO   A CB   1 ? 
ATOM   1294 C  CG   . PRO   A 1 79  ? -14.535 4.110   16.734  1.000 20.980 0 191 PRO   A CG   1 ? 
ATOM   1295 C  CD   . PRO   A 1 79  ? -15.617 5.082   16.311  1.000 20.742 0 191 PRO   A CD   1 ? 
ATOM   1296 H  HA   . PRO   A 1 79  ? -14.783 6.192   19.168  1.000 20.950 0 191 PRO   A HA   1 c 
ATOM   1297 H  HB2  . PRO   A 1 79  ? -13.388 4.137   18.464  1.000 21.031 0 191 PRO   A HB2  1 c 
ATOM   1298 H  HB3  . PRO   A 1 79  ? -14.956 3.975   18.762  1.000 21.006 0 191 PRO   A HB3  1 c 
ATOM   1299 H  HG2  . PRO   A 1 79  ? -13.721 4.244   16.206  1.000 20.949 0 191 PRO   A HG2  1 c 
ATOM   1300 H  HG3  . PRO   A 1 79  ? -14.837 3.184   16.622  1.000 20.938 0 191 PRO   A HG3  1 c 
ATOM   1301 H  HD2  . PRO   A 1 79  ? -15.457 5.409   15.398  1.000 20.808 0 191 PRO   A HD2  1 c 
ATOM   1302 H  HD3  . PRO   A 1 79  ? -16.504 4.661   16.351  1.000 20.742 0 191 PRO   A HD3  1 c 
ATOM   1303 N  N    . PHE   A 1 80  ? -12.965 7.400   16.951  1.000 19.753 0 192 PHE   A N    1 ? 
ATOM   1304 C  CA   . PHE   A 1 80  ? -11.719 8.064   16.606  1.000 19.420 0 192 PHE   A CA   1 ? 
ATOM   1305 C  C    . PHE   A 1 80  ? -11.684 9.469   17.201  1.000 20.325 0 192 PHE   A C    1 ? 
ATOM   1306 O  O    . PHE   A 1 80  ? -12.719 10.112  17.363  1.000 20.756 0 192 PHE   A O    1 ? 
ATOM   1307 C  CB   . PHE   A 1 80  ? -11.556 8.130   15.087  1.000 18.534 0 192 PHE   A CB   1 ? 
ATOM   1308 C  CG   . PHE   A 1 80  ? -11.587 6.768   14.412  1.000 17.854 0 192 PHE   A CG   1 ? 
ATOM   1309 C  CD1  . PHE   A 1 80  ? -10.440 5.987   14.312  1.000 17.319 0 192 PHE   A CD1  1 ? 
ATOM   1310 C  CD2  . PHE   A 1 80  ? -12.774 6.271   13.888  1.000 18.025 0 192 PHE   A CD2  1 ? 
ATOM   1311 C  CE1  . PHE   A 1 80  ? -10.488 4.744   13.698  1.000 17.484 0 192 PHE   A CE1  1 ? 
ATOM   1312 C  CE2  . PHE   A 1 80  ? -12.815 5.029   13.278  1.000 17.904 0 192 PHE   A CE2  1 ? 
ATOM   1313 C  CZ   . PHE   A 1 80  ? -11.674 4.271   13.179  1.000 17.630 0 192 PHE   A CZ   1 ? 
ATOM   1314 H  H    . PHE   A 1 80  ? -13.680 7.499   16.392  1.000 19.888 0 192 PHE   A H    1 c 
ATOM   1315 H  HA   . PHE   A 1 80  ? -10.964 7.539   16.982  1.000 19.525 0 192 PHE   A HA   1 c 
ATOM   1316 H  HB2  . PHE   A 1 80  ? -12.277 8.686   14.718  1.000 18.556 0 192 PHE   A HB2  1 c 
ATOM   1317 H  HB3  . PHE   A 1 80  ? -10.700 8.568   14.882  1.000 18.524 0 192 PHE   A HB3  1 c 
ATOM   1318 H  HD1  . PHE   A 1 80  ? -9.624  6.307   14.664  1.000 17.428 0 192 PHE   A HD1  1 c 
ATOM   1319 H  HD2  . PHE   A 1 80  ? -13.562 6.788   13.950  1.000 17.969 0 192 PHE   A HD2  1 c 
ATOM   1320 H  HE1  . PHE   A 1 80  ? -9.704  4.223   13.632  1.000 17.490 0 192 PHE   A HE1  1 c 
ATOM   1321 H  HE2  . PHE   A 1 80  ? -13.628 4.706   12.923  1.000 17.865 0 192 PHE   A HE2  1 c 
ATOM   1322 H  HZ   . PHE   A 1 80  ? -11.704 3.424   12.763  1.000 17.662 0 192 PHE   A HZ   1 c 
ATOM   1323 N  N    . GLU   A 1 81  ? -10.466 9.926   17.513  1.000 20.693 0 193 GLU   A N    1 ? 
ATOM   1324 C  CA   . GLU   A 1 81  ? -10.216 11.289  17.954  1.000 21.687 0 193 GLU   A CA   1 ? 
ATOM   1325 C  C    . GLU   A 1 81  ? -8.982  11.814  17.227  1.000 21.592 0 193 GLU   A C    1 ? 
ATOM   1326 O  O    . GLU   A 1 81  ? -7.985  11.107  17.114  1.000 21.011 0 193 GLU   A O    1 ? 
ATOM   1327 C  CB   . GLU   A 1 81  ? -9.994  11.352  19.467  1.000 22.715 0 193 GLU   A CB   1 ? 
ATOM   1328 C  CG   . GLU   A 1 81  ? -11.206 10.920  20.288  1.000 23.891 0 193 GLU   A CG   1 ? 
ATOM   1329 C  CD   . GLU   A 1 81  ? -12.395 11.865  20.240  1.000 25.024 0 193 GLU   A CD   1 ? 
ATOM   1330 O  OE1  . GLU   A 1 81  ? -12.218 13.052  19.884  1.000 25.693 0 193 GLU   A OE1  1 ? 
ATOM   1331 O  OE2  . GLU   A 1 81  ? -13.514 11.401  20.540  1.000 26.800 0 193 GLU   A OE2  1 ? 
ATOM   1332 H  H    . GLU   A 1 81  ? -9.755  9.355   17.449  1.000 20.706 0 193 GLU   A H    1 c 
ATOM   1333 H  HA   . GLU   A 1 81  ? -10.996 11.850  17.712  1.000 21.646 0 193 GLU   A HA   1 c 
ATOM   1334 H  HB2  . GLU   A 1 81  ? -9.237  10.773  19.697  1.000 22.726 0 193 GLU   A HB2  1 c 
ATOM   1335 H  HB3  . GLU   A 1 81  ? -9.751  12.269  19.712  1.000 22.724 0 193 GLU   A HB3  1 c 
ATOM   1336 H  HG2  . GLU   A 1 81  ? -11.502 10.038  19.979  1.000 23.802 0 193 GLU   A HG2  1 c 
ATOM   1337 H  HG3  . GLU   A 1 81  ? -10.932 10.821  21.225  1.000 23.843 0 193 GLU   A HG3  1 c 
ATOM   1338 N  N    . SER   A 1 82  ? -9.056  13.056  16.738  1.000 21.901 0 194 SER   A N    1 ? 
ATOM   1339 C  CA   . SER   A 1 82  ? -7.914  13.699  16.106  1.000 22.606 0 194 SER   A CA   1 ? 
ATOM   1340 C  C    . SER   A 1 82  ? -6.710  13.667  17.046  1.000 21.698 0 194 SER   A C    1 ? 
ATOM   1341 O  O    . SER   A 1 82  ? -6.833  13.972  18.229  1.000 22.479 0 194 SER   A O    1 ? 
ATOM   1342 C  CB   . SER   A 1 82  ? -8.236  15.112  15.686  1.000 24.011 0 194 SER   A CB   1 ? 
ATOM   1343 O  OG   . SER   A 1 82  ? -9.043  15.126  14.516  1.000 26.537 0 194 SER   A OG   1 ? 
ATOM   1344 H  H    . SER   A 1 82  ? -9.844  13.516  16.797  1.000 21.941 0 194 SER   A H    1 c 
ATOM   1345 H  HA   . SER   A 1 82  ? -7.686  13.181  15.295  1.000 22.470 0 194 SER   A HA   1 c 
ATOM   1346 H  HB2  . SER   A 1 82  ? -8.708  15.565  16.410  1.000 24.140 0 194 SER   A HB2  1 c 
ATOM   1347 H  HB3  . SER   A 1 82  ? -7.406  15.596  15.513  1.000 24.102 0 194 SER   A HB3  1 c 
ATOM   1348 H  HG   . SER   A 1 82  ? -9.174  15.994  14.297  0.000 33.104 0 194 SER   A HG   1 c 
ATOM   1349 N  N    . GLY   A 1 83  ? -5.556  13.261  16.506  1.000 20.136 0 195 GLY   A N    1 ? 
ATOM   1350 C  CA   . GLY   A 1 83  ? -4.298  13.292  17.236  1.000 19.527 0 195 GLY   A CA   1 ? 
ATOM   1351 C  C    . GLY   A 1 83  ? -4.006  12.008  18.015  1.000 19.156 0 195 GLY   A C    1 ? 
ATOM   1352 O  O    . GLY   A 1 83  ? -2.897  11.854  18.525  1.000 20.178 0 195 GLY   A O    1 ? 
ATOM   1353 H  H    . GLY   A 1 83  ? -5.552  12.955  15.645  1.000 20.318 0 195 GLY   A H    1 c 
ATOM   1354 H  HA2  . GLY   A 1 83  ? -3.566  13.454  16.597  1.000 19.579 0 195 GLY   A HA2  1 c 
ATOM   1355 H  HA3  . GLY   A 1 83  ? -4.314  14.052  17.864  1.000 19.590 0 195 GLY   A HA3  1 c 
ATOM   1356 N  N    . LYS   A 1 84  ? -4.974  11.083  18.100  1.000 18.306 0 196 LYS   A N    1 ? 
ATOM   1357 C  CA   . LYS   A 1 84  ? -4.843  9.934   18.985  1.000 17.907 0 196 LYS   A CA   1 ? 
ATOM   1358 C  C    . LYS   A 1 84  ? -4.472  8.671   18.213  1.000 17.785 0 196 LYS   A C    1 ? 
ATOM   1359 O  O    . LYS   A 1 84  ? -4.906  8.466   17.078  1.000 17.526 0 196 LYS   A O    1 ? 
ATOM   1360 C  CB   . LYS   A 1 84  ? -6.118  9.637   19.781  1.000 17.947 0 196 LYS   A CB   1 ? 
ATOM   1361 C  CG   . LYS   A 1 84  ? -6.454  10.674  20.836  1.000 17.909 0 196 LYS   A CG   1 ? 
ATOM   1362 C  CD   . LYS   A 1 84  ? -7.410  10.158  21.903  1.000 18.235 0 196 LYS   A CD   1 ? 
ATOM   1363 C  CE   . LYS   A 1 84  ? -8.096  11.267  22.633  1.000 18.384 0 196 LYS   A CE   1 ? 
ATOM   1364 N  NZ   . LYS   A 1 84  ? -8.801  10.768  23.814  1.000 18.223 0 196 LYS   A NZ   1 ? 
ATOM   1365 H  H    . LYS   A 1 84  ? -5.728  11.162  17.590  1.000 18.391 0 196 LYS   A H    1 c 
ATOM   1366 H  HA   . LYS   A 1 84  ? -4.123  10.130  19.634  1.000 17.964 0 196 LYS   A HA   1 c 
ATOM   1367 H  HB2  . LYS   A 1 84  ? -6.872  9.573   19.157  1.000 17.928 0 196 LYS   A HB2  1 c 
ATOM   1368 H  HB3  . LYS   A 1 84  ? -6.021  8.766   20.222  1.000 17.938 0 196 LYS   A HB3  1 c 
ATOM   1369 H  HG2  . LYS   A 1 84  ? -5.621  10.966  21.266  1.000 17.952 0 196 LYS   A HG2  1 c 
ATOM   1370 H  HG3  . LYS   A 1 84  ? -6.855  11.454  20.393  1.000 17.959 0 196 LYS   A HG3  1 c 
ATOM   1371 H  HD2  . LYS   A 1 84  ? -8.087  9.587   21.479  1.000 18.204 0 196 LYS   A HD2  1 c 
ATOM   1372 H  HD3  . LYS   A 1 84  ? -6.909  9.611   22.546  1.000 18.215 0 196 LYS   A HD3  1 c 
ATOM   1373 H  HE2  . LYS   A 1 84  ? -7.444  11.936  22.907  1.000 18.335 0 196 LYS   A HE2  1 c 
ATOM   1374 H  HE3  . LYS   A 1 84  ? -8.738  11.696  22.040  1.000 18.327 0 196 LYS   A HE3  1 c 
ATOM   1375 H  HZ1  . LYS   A 1 84  ? -8.218  10.351  24.368  1.000 18.259 0 196 LYS   A HZ1  1 c 
ATOM   1376 H  HZ2  . LYS   A 1 84  ? -9.443  10.180  23.562  1.000 18.269 0 196 LYS   A HZ2  1 c 
ATOM   1377 H  HZ3  . LYS   A 1 84  ? -9.187  11.459  24.255  1.000 18.247 0 196 LYS   A HZ3  1 c 
ATOM   1378 N  N    . PRO   A 1 85  ? -3.694  7.764   18.850  1.000 17.456 0 197 PRO   A N    1 ? 
ATOM   1379 C  CA   . PRO   A 1 85  ? -3.394  6.455   18.269  1.000 17.410 0 197 PRO   A CA   1 ? 
ATOM   1380 C  C    . PRO   A 1 85  ? -4.614  5.538   18.268  1.000 17.063 0 197 PRO   A C    1 ? 
ATOM   1381 O  O    . PRO   A 1 85  ? -5.380  5.510   19.231  1.000 17.150 0 197 PRO   A O    1 ? 
ATOM   1382 C  CB   . PRO   A 1 85  ? -2.257  5.919   19.154  1.000 17.614 0 197 PRO   A CB   1 ? 
ATOM   1383 C  CG   . PRO   A 1 85  ? -2.445  6.610   20.484  1.000 18.090 0 197 PRO   A CG   1 ? 
ATOM   1384 C  CD   . PRO   A 1 85  ? -3.092  7.947   20.180  1.000 17.842 0 197 PRO   A CD   1 ? 
ATOM   1385 H  HA   . PRO   A 1 85  ? -3.064  6.581   17.349  1.000 17.425 0 197 PRO   A HA   1 c 
ATOM   1386 H  HB2  . PRO   A 1 85  ? -2.322  4.940   19.256  1.000 17.637 0 197 PRO   A HB2  1 c 
ATOM   1387 H  HB3  . PRO   A 1 85  ? -1.377  6.139   18.766  1.000 17.631 0 197 PRO   A HB3  1 c 
ATOM   1388 H  HG2  . PRO   A 1 85  ? -3.019  6.076   21.072  1.000 17.965 0 197 PRO   A HG2  1 c 
ATOM   1389 H  HG3  . PRO   A 1 85  ? -1.582  6.743   20.927  1.000 17.954 0 197 PRO   A HG3  1 c 
ATOM   1390 H  HD2  . PRO   A 1 85  ? -3.778  8.163   20.851  1.000 17.818 0 197 PRO   A HD2  1 c 
ATOM   1391 H  HD3  . PRO   A 1 85  ? -2.421  8.665   20.167  1.000 17.808 0 197 PRO   A HD3  1 c 
ATOM   1392 N  N    . PHE   A 1 86  ? -4.779  4.792   17.172  1.000 17.003 0 198 PHE   A N    1 ? 
ATOM   1393 C  CA   . PHE   A 1 86  ? -5.917  3.904   17.009  1.000 16.565 0 198 PHE   A CA   1 ? 
ATOM   1394 C  C    . PHE   A 1 86  ? -5.454  2.519   16.566  1.000 16.155 0 198 PHE   A C    1 ? 
ATOM   1395 O  O    . PHE   A 1 86  ? -4.343  2.344   16.062  1.000 15.634 0 198 PHE   A O    1 ? 
ATOM   1396 C  CB   . PHE   A 1 86  ? -6.912  4.472   15.991  1.000 17.222 0 198 PHE   A CB   1 ? 
ATOM   1397 C  CG   . PHE   A 1 86  ? -6.367  4.546   14.572  1.000 17.831 0 198 PHE   A CG   1 ? 
ATOM   1398 C  CD1  . PHE   A 1 86  ? -6.404  3.435   13.736  1.000 17.946 0 198 PHE   A CD1  1 ? 
ATOM   1399 C  CD2  . PHE   A 1 86  ? -5.817  5.725   14.077  1.000 18.943 0 198 PHE   A CD2  1 ? 
ATOM   1400 C  CE1  . PHE   A 1 86  ? -5.904  3.500   12.447  1.000 18.523 0 198 PHE   A CE1  1 ? 
ATOM   1401 C  CE2  . PHE   A 1 86  ? -5.313  5.784   12.786  1.000 19.188 0 198 PHE   A CE2  1 ? 
ATOM   1402 C  CZ   . PHE   A 1 86  ? -5.360  4.671   11.973  1.000 19.051 0 198 PHE   A CZ   1 ? 
ATOM   1403 H  H    . PHE   A 1 86  ? -4.159  4.837   16.502  1.000 16.908 0 198 PHE   A H    1 c 
ATOM   1404 H  HA   . PHE   A 1 86  ? -6.378  3.817   17.884  1.000 16.667 0 198 PHE   A HA   1 c 
ATOM   1405 H  HB2  . PHE   A 1 86  ? -7.718  3.908   15.993  1.000 17.250 0 198 PHE   A HB2  1 c 
ATOM   1406 H  HB3  . PHE   A 1 86  ? -7.174  5.374   16.279  1.000 17.171 0 198 PHE   A HB3  1 c 
ATOM   1407 H  HD1  . PHE   A 1 86  ? -6.774  2.628   14.054  1.000 18.045 0 198 PHE   A HD1  1 c 
ATOM   1408 H  HD2  . PHE   A 1 86  ? -5.776  6.488   14.631  1.000 18.705 0 198 PHE   A HD2  1 c 
ATOM   1409 H  HE1  . PHE   A 1 86  ? -5.937  2.737   11.892  1.000 18.504 0 198 PHE   A HE1  1 c 
ATOM   1410 H  HE2  . PHE   A 1 86  ? -4.941  6.589   12.463  1.000 19.035 0 198 PHE   A HE2  1 c 
ATOM   1411 H  HZ   . PHE   A 1 86  ? -5.021  4.714   11.093  1.000 18.939 0 198 PHE   A HZ   1 c 
ATOM   1412 N  N    . LYS   A 1 87  ? -6.342  1.543   16.772  1.000 16.012 0 199 LYS   A N    1 ? 
ATOM   1413 C  CA   . LYS   A 1 87  ? -6.233  0.216   16.191  1.000 16.130 0 199 LYS   A CA   1 ? 
ATOM   1414 C  C    . LYS   A 1 87  ? -7.584  -0.129  15.573  1.000 15.911 0 199 LYS   A C    1 ? 
ATOM   1415 O  O    . LYS   A 1 87  ? -8.583  -0.173  16.287  1.000 17.264 0 199 LYS   A O    1 ? 
ATOM   1416 C  CB   . LYS   A 1 87  ? -5.871  -0.819  17.261  1.000 17.142 0 199 LYS   A CB   1 ? 
ATOM   1417 C  CG   . LYS   A 1 87  ? -5.766  -2.265  16.780  1.000 18.105 0 199 LYS   A CG   1 ? 
ATOM   1418 C  CD   . LYS   A 1 87  ? -5.291  -3.244  17.847  1.000 19.241 0 199 LYS   A CD   1 ? 
ATOM   1419 C  CE   . LYS   A 1 87  ? -6.247  -3.410  18.985  1.000 20.266 0 199 LYS   A CE   1 ? 
ATOM   1420 N  NZ   . LYS   A 1 87  ? -5.692  -4.305  20.003  1.000 21.621 0 199 LYS   A NZ   1 ? 
ATOM   1421 H  H    . LYS   A 1 87  ? -7.059  1.717   17.311  1.000 16.026 0 199 LYS   A H    1 c 
ATOM   1422 H  HA   . LYS   A 1 87  ? -5.539  0.228   15.487  1.000 16.225 0 199 LYS   A HA   1 c 
ATOM   1423 H  HB2  . LYS   A 1 87  ? -5.011  -0.566  17.656  1.000 17.084 0 199 LYS   A HB2  1 c 
ATOM   1424 H  HB3  . LYS   A 1 87  ? -6.546  -0.778  17.971  1.000 17.124 0 199 LYS   A HB3  1 c 
ATOM   1425 H  HG2  . LYS   A 1 87  ? -6.648  -2.551  16.459  1.000 18.098 0 199 LYS   A HG2  1 c 
ATOM   1426 H  HG3  . LYS   A 1 87  ? -5.145  -2.296  16.020  1.000 18.093 0 199 LYS   A HG3  1 c 
ATOM   1427 H  HD2  . LYS   A 1 87  ? -5.141  -4.119  17.428  1.000 19.165 0 199 LYS   A HD2  1 c 
ATOM   1428 H  HD3  . LYS   A 1 87  ? -4.429  -2.932  18.200  1.000 19.181 0 199 LYS   A HD3  1 c 
ATOM   1429 H  HE2  . LYS   A 1 87  ? -6.440  -2.547  19.392  1.000 20.238 0 199 LYS   A HE2  1 c 
ATOM   1430 H  HE3  . LYS   A 1 87  ? -7.084  -3.784  18.655  1.000 20.301 0 199 LYS   A HE3  1 c 
ATOM   1431 H  HZ1  . LYS   A 1 87  ? -4.914  -3.965  20.318  1.000 21.348 0 199 LYS   A HZ1  1 c 
ATOM   1432 H  HZ2  . LYS   A 1 87  ? -5.534  -5.120  19.640  1.000 21.335 0 199 LYS   A HZ2  1 c 
ATOM   1433 H  HZ3  . LYS   A 1 87  ? -6.274  -4.395  20.688  1.000 21.312 0 199 LYS   A HZ3  1 c 
ATOM   1434 N  N    . ILE   A 1 88  ? -7.606  -0.322  14.248  1.000 15.499 0 200 ILE   A N    1 ? 
ATOM   1435 C  CA   . ILE   A 1 88  ? -8.769  -0.854  13.550  1.000 15.466 0 200 ILE   A CA   1 ? 
ATOM   1436 C  C    . ILE   A 1 88  ? -8.516  -2.334  13.296  1.000 15.659 0 200 ILE   A C    1 ? 
ATOM   1437 O  O    . ILE   A 1 88  ? -7.493  -2.697  12.719  1.000 15.896 0 200 ILE   A O    1 ? 
ATOM   1438 C  CB   . ILE   A 1 88  ? -9.043  -0.120  12.222  1.000 15.771 0 200 ILE   A CB   1 ? 
ATOM   1439 C  CG1  . ILE   A 1 88  ? -9.245  1.381   12.431  1.000 16.212 0 200 ILE   A CG1  1 ? 
ATOM   1440 C  CG2  . ILE   A 1 88  ? -10.234 -0.749  11.492  1.000 15.963 0 200 ILE   A CG2  1 ? 
ATOM   1441 C  CD1  . ILE   A 1 88  ? -9.188  2.200   11.153  1.000 16.875 0 200 ILE   A CD1  1 ? 
ATOM   1442 H  H    . ILE   A 1 88  ? -6.865  -0.110  13.758  1.000 15.540 0 200 ILE   A H    1 c 
ATOM   1443 H  HA   . ILE   A 1 88  ? -9.553  -0.759  14.124  1.000 15.554 0 200 ILE   A HA   1 c 
ATOM   1444 H  HB   . ILE   A 1 88  ? -8.254  -0.234  11.656  1.000 15.819 0 200 ILE   A HB   1 c 
ATOM   1445 H  HG12 . ILE   A 1 88  ? -10.116 1.523   12.854  1.000 16.213 0 200 ILE   A HG12 1 c 
ATOM   1446 H  HG13 . ILE   A 1 88  ? -8.559  1.709   13.044  1.000 16.272 0 200 ILE   A HG13 1 c 
ATOM   1447 H  HG21 . ILE   A 1 88  ? -10.416 -0.254  10.677  1.000 15.948 0 200 ILE   A HG21 1 c 
ATOM   1448 H  HG22 . ILE   A 1 88  ? -11.018 -0.723  12.066  1.000 15.949 0 200 ILE   A HG22 1 c 
ATOM   1449 H  HG23 . ILE   A 1 88  ? -10.031 -1.672  11.266  1.000 15.930 0 200 ILE   A HG23 1 c 
ATOM   1450 H  HD11 . ILE   A 1 88  ? -8.328  2.057   10.714  1.000 16.758 0 200 ILE   A HD11 1 c 
ATOM   1451 H  HD12 . ILE   A 1 88  ? -9.287  3.146   11.370  1.000 16.737 0 200 ILE   A HD12 1 c 
ATOM   1452 H  HD13 . ILE   A 1 88  ? -9.907  1.930   10.551  1.000 16.744 0 200 ILE   A HD13 1 c 
ATOM   1453 N  N    . GLN   A 1 89  ? -9.460  -3.175  13.724  1.000 15.611 0 201 GLN   A N    1 ? 
ATOM   1454 C  CA   . GLN   A 1 89  ? -9.415  -4.597  13.430  1.000 16.365 0 201 GLN   A CA   1 ? 
ATOM   1455 C  C    . GLN   A 1 89  ? -10.642 -4.979  12.611  1.000 16.182 0 201 GLN   A C    1 ? 
ATOM   1456 O  O    . GLN   A 1 89  ? -11.773 -4.698  13.006  1.000 16.373 0 201 GLN   A O    1 ? 
ATOM   1457 C  CB   . GLN   A 1 89  ? -9.295  -5.400  14.721  1.000 17.816 0 201 GLN   A CB   1 ? 
ATOM   1458 C  CG   . GLN   A 1 89  ? -7.925  -5.259  15.372  1.000 18.672 0 201 GLN   A CG   1 ? 
ATOM   1459 C  CD   . GLN   A 1 89  ? -7.833  -5.942  16.716  1.000 20.604 0 201 GLN   A CD   1 ? 
ATOM   1460 O  OE1  . GLN   A 1 89  ? -8.667  -5.723  17.600  1.000 21.891 0 201 GLN   A OE1  1 ? 
ATOM   1461 N  NE2  . GLN   A 1 89  ? -6.819  -6.778  16.883  1.000 21.615 0 201 GLN   A NE2  1 ? 
ATOM   1462 H  H    . GLN   A 1 89  ? -10.157 -2.852  14.219  1.000 15.743 0 201 GLN   A H    1 c 
ATOM   1463 H  HA   . GLN   A 1 89  ? -8.609  -4.775  12.890  1.000 16.402 0 201 GLN   A HA   1 c 
ATOM   1464 H  HB2  . GLN   A 1 89  ? -9.983  -5.096  15.351  1.000 17.668 0 201 GLN   A HB2  1 c 
ATOM   1465 H  HB3  . GLN   A 1 89  ? -9.463  -6.345  14.526  1.000 17.684 0 201 GLN   A HB3  1 c 
ATOM   1466 H  HG2  . GLN   A 1 89  ? -7.246  -5.636  14.774  1.000 18.833 0 201 GLN   A HG2  1 c 
ATOM   1467 H  HG3  . GLN   A 1 89  ? -7.721  -4.307  15.489  1.000 18.785 0 201 GLN   A HG3  1 c 
ATOM   1468 H  HE21 . GLN   A 1 89  ? -6.221  -6.895  16.239  1.000 21.331 0 201 GLN   A HE21 1 c 
ATOM   1469 H  HE22 . GLN   A 1 89  ? -6.738  -7.223  17.647  1.000 21.319 0 201 GLN   A HE22 1 c 
ATOM   1470 N  N    . VAL   A 1 90  ? -10.382 -5.587  11.450  1.000 16.208 0 202 VAL   A N    1 ? 
ATOM   1471 C  CA   . VAL   A 1 90  ? -11.417 -6.127  10.588  1.000 16.287 0 202 VAL   A CA   1 ? 
ATOM   1472 C  C    . VAL   A 1 90  ? -11.310 -7.648  10.634  1.000 16.499 0 202 VAL   A C    1 ? 
ATOM   1473 O  O    . VAL   A 1 90  ? -10.324 -8.215  10.172  1.000 16.595 0 202 VAL   A O    1 ? 
ATOM   1474 C  CB   . VAL   A 1 90  ? -11.306 -5.605  9.142   1.000 16.667 0 202 VAL   A CB   1 ? 
ATOM   1475 C  CG1  . VAL   A 1 90  ? -12.446 -6.121  8.270   1.000 17.256 0 202 VAL   A CG1  1 ? 
ATOM   1476 C  CG2  . VAL   A 1 90  ? -11.256 -4.083  9.090   1.000 16.609 0 202 VAL   A CG2  1 ? 
ATOM   1477 H  H    . VAL   A 1 90  ? -9.512  -5.668  11.182  1.000 16.215 0 202 VAL   A H    1 c 
ATOM   1478 H  HA   . VAL   A 1 90  ? -12.285 -5.863  10.942  1.000 16.377 0 202 VAL   A HA   1 c 
ATOM   1479 H  HB   . VAL   A 1 90  ? -10.460 -5.949  8.771   1.000 16.648 0 202 VAL   A HB   1 c 
ATOM   1480 H  HG11 . VAL   A 1 90  ? -13.298 -5.868  8.664   1.000 17.172 0 202 VAL   A HG11 1 c 
ATOM   1481 H  HG12 . VAL   A 1 90  ? -12.395 -7.089  8.203   1.000 17.146 0 202 VAL   A HG12 1 c 
ATOM   1482 H  HG13 . VAL   A 1 90  ? -12.375 -5.734  7.381   1.000 17.113 0 202 VAL   A HG13 1 c 
ATOM   1483 H  HG21 . VAL   A 1 90  ? -11.209 -3.792  8.164   1.000 16.619 0 202 VAL   A HG21 1 c 
ATOM   1484 H  HG22 . VAL   A 1 90  ? -10.472 -3.766  9.568   1.000 16.597 0 202 VAL   A HG22 1 c 
ATOM   1485 H  HG23 . VAL   A 1 90  ? -12.056 -3.718  9.504   1.000 16.635 0 202 VAL   A HG23 1 c 
ATOM   1486 N  N    . LEU   A 1 91  ? -12.319 -8.285  11.234  1.000 16.825 0 203 LEU   A N    1 ? 
ATOM   1487 C  CA   . LEU   A 1 91  ? -12.410 -9.731  11.310  1.000 17.730 0 203 LEU   A CA   1 ? 
ATOM   1488 C  C    . LEU   A 1 91  ? -13.345 -10.217 10.208  1.000 17.255 0 203 LEU   A C    1 ? 
ATOM   1489 O  O    . LEU   A 1 91  ? -14.505 -9.815  10.156  1.000 17.444 0 203 LEU   A O    1 ? 
ATOM   1490 C  CB   . LEU   A 1 91  ? -12.922 -10.121 12.695  1.000 19.122 0 203 LEU   A CB   1 ? 
ATOM   1491 C  CG   . LEU   A 1 91  ? -13.107 -11.620 12.948  1.000 20.793 0 203 LEU   A CG   1 ? 
ATOM   1492 C  CD1  . LEU   A 1 91  ? -11.794 -12.368 12.828  1.000 20.971 0 203 LEU   A CD1  1 ? 
ATOM   1493 C  CD2  . LEU   A 1 91  ? -13.742 -11.844 14.311  1.000 21.587 0 203 LEU   A CD2  1 ? 
ATOM   1494 H  H    . LEU   A 1 91  ? -12.985 -7.790  11.618  1.000 16.910 0 203 LEU   A H    1 c 
ATOM   1495 H  HA   . LEU   A 1 91  ? -11.508 -10.116 11.170  1.000 17.707 0 203 LEU   A HA   1 c 
ATOM   1496 H  HB2  . LEU   A 1 91  ? -12.292 -9.769  13.365  1.000 19.080 0 203 LEU   A HB2  1 c 
ATOM   1497 H  HB3  . LEU   A 1 91  ? -13.787 -9.674  12.838  1.000 19.067 0 203 LEU   A HB3  1 c 
ATOM   1498 H  HG   . LEU   A 1 91  ? -13.727 -11.977 12.261  1.000 20.633 0 203 LEU   A HG   1 c 
ATOM   1499 H  HD11 . LEU   A 1 91  ? -11.463 -12.303 11.917  1.000 20.890 0 203 LEU   A HD11 1 c 
ATOM   1500 H  HD12 . LEU   A 1 91  ? -11.931 -13.303 13.056  1.000 20.914 0 203 LEU   A HD12 1 c 
ATOM   1501 H  HD13 . LEU   A 1 91  ? -11.142 -11.980 13.437  1.000 20.922 0 203 LEU   A HD13 1 c 
ATOM   1502 H  HD21 . LEU   A 1 91  ? -14.608 -11.403 14.343  1.000 21.451 0 203 LEU   A HD21 1 c 
ATOM   1503 H  HD22 . LEU   A 1 91  ? -13.166 -11.476 15.002  1.000 21.427 0 203 LEU   A HD22 1 c 
ATOM   1504 H  HD23 . LEU   A 1 91  ? -13.859 -12.797 14.462  1.000 21.419 0 203 LEU   A HD23 1 c 
ATOM   1505 N  N    . VAL   A 1 92  ? -12.832 -11.081 9.329   1.000 17.165 0 204 VAL   A N    1 ? 
ATOM   1506 C  CA   . VAL   A 1 92  ? -13.636 -11.649 8.262   1.000 17.629 0 204 VAL   A CA   1 ? 
ATOM   1507 C  C    . VAL   A 1 92  ? -14.420 -12.827 8.835   1.000 18.185 0 204 VAL   A C    1 ? 
ATOM   1508 O  O    . VAL   A 1 92  ? -13.831 -13.754 9.383   1.000 18.045 0 204 VAL   A O    1 ? 
ATOM   1509 C  CB   . VAL   A 1 92  ? -12.751 -12.064 7.071   1.000 17.523 0 204 VAL   A CB   1 ? 
ATOM   1510 C  CG1  . VAL   A 1 92  ? -13.573 -12.610 5.910   1.000 17.701 0 204 VAL   A CG1  1 ? 
ATOM   1511 C  CG2  . VAL   A 1 92  ? -11.875 -10.909 6.599   1.000 17.727 0 204 VAL   A CG2  1 ? 
ATOM   1512 H  H    . VAL   A 1 92  ? -11.956 -11.331 9.402   1.000 17.229 0 204 VAL   A H    1 c 
ATOM   1513 H  HA   . VAL   A 1 92  ? -14.267 -10.971 7.954   1.000 17.604 0 204 VAL   A HA   1 c 
ATOM   1514 H  HB   . VAL   A 1 92  ? -12.157 -12.784 7.387   1.000 17.568 0 204 VAL   A HB   1 c 
ATOM   1515 H  HG11 . VAL   A 1 92  ? -14.224 -11.944 5.631   1.000 17.663 0 204 VAL   A HG11 1 c 
ATOM   1516 H  HG12 . VAL   A 1 92  ? -14.037 -13.417 6.189   1.000 17.682 0 204 VAL   A HG12 1 c 
ATOM   1517 H  HG13 . VAL   A 1 92  ? -12.984 -12.818 5.165   1.000 17.667 0 204 VAL   A HG13 1 c 
ATOM   1518 H  HG21 . VAL   A 1 92  ? -11.347 -11.193 5.835   1.000 17.678 0 204 VAL   A HG21 1 c 
ATOM   1519 H  HG22 . VAL   A 1 92  ? -11.279 -10.635 7.316   1.000 17.672 0 204 VAL   A HG22 1 c 
ATOM   1520 H  HG23 . VAL   A 1 92  ? -12.437 -10.159 6.342   1.000 17.715 0 204 VAL   A HG23 1 c 
ATOM   1521 N  N    . GLU   A 1 93  ? -15.755 -12.750 8.749   1.000 18.356 0 205 GLU   A N    1 ? 
ATOM   1522 C  CA   . GLU   A 1 93  ? -16.634 -13.837 9.148   1.000 19.500 0 205 GLU   A CA   1 ? 
ATOM   1523 C  C    . GLU   A 1 93  ? -17.335 -14.365 7.899   1.000 18.932 0 205 GLU   A C    1 ? 
ATOM   1524 O  O    . GLU   A 1 93  ? -17.272 -13.736 6.843   1.000 18.617 0 205 GLU   A O    1 ? 
ATOM   1525 C  CB   . GLU   A 1 93  ? -17.607 -13.351 10.222  1.000 21.155 0 205 GLU   A CB   1 ? 
ATOM   1526 C  CG   . GLU   A 1 93  ? -16.906 -12.847 11.481  1.000 23.105 0 205 GLU   A CG   1 ? 
ATOM   1527 C  CD   . GLU   A 1 93  ? -17.816 -12.618 12.674  1.000 25.966 0 205 GLU   A CD   1 ? 
ATOM   1528 O  OE1  . GLU   A 1 93  ? -19.048 -12.723 12.516  1.000 28.148 0 205 GLU   A OE1  1 ? 
ATOM   1529 O  OE2  . GLU   A 1 93  ? -17.289 -12.351 13.773  1.000 30.095 0 205 GLU   A OE2  1 ? 
ATOM   1530 H  H    . GLU   A 1 93  ? -16.133 -11.982 8.428   1.000 18.509 0 205 GLU   A H    1 c 
ATOM   1531 H  HA   . GLU   A 1 93  ? -16.080 -14.563 9.530   1.000 19.424 0 205 GLU   A HA   1 c 
ATOM   1532 H  HB2  . GLU   A 1 93  ? -18.156 -12.629 9.850   1.000 21.128 0 205 GLU   A HB2  1 c 
ATOM   1533 H  HB3  . GLU   A 1 93  ? -18.206 -14.085 10.465  1.000 21.128 0 205 GLU   A HB3  1 c 
ATOM   1534 H  HG2  . GLU   A 1 93  ? -16.216 -13.495 11.739  1.000 23.113 0 205 GLU   A HG2  1 c 
ATOM   1535 H  HG3  . GLU   A 1 93  ? -16.451 -12.003 11.273  1.000 23.090 0 205 GLU   A HG3  1 c 
ATOM   1536 N  N    . PRO   A 1 94  ? -17.999 -15.543 7.961   1.000 18.498 0 206 PRO   A N    1 ? 
ATOM   1537 C  CA   . PRO   A 1 94  ? -18.644 -16.117 6.779   1.000 18.569 0 206 PRO   A CA   1 ? 
ATOM   1538 C  C    . PRO   A 1 94  ? -19.629 -15.206 6.048   1.000 18.205 0 206 PRO   A C    1 ? 
ATOM   1539 O  O    . PRO   A 1 94  ? -19.695 -15.255 4.824   1.000 18.553 0 206 PRO   A O    1 ? 
ATOM   1540 C  CB   . PRO   A 1 94  ? -19.322 -17.371 7.350   1.000 18.925 0 206 PRO   A CB   1 ? 
ATOM   1541 C  CG   . PRO   A 1 94  ? -18.435 -17.765 8.507   1.000 18.766 0 206 PRO   A CG   1 ? 
ATOM   1542 C  CD   . PRO   A 1 94  ? -18.074 -16.431 9.134   1.000 18.753 0 206 PRO   A CD   1 ? 
ATOM   1543 H  HA   . PRO   A 1 94  ? -17.933 -16.396 6.148   1.000 18.550 0 206 PRO   A HA   1 c 
ATOM   1544 H  HB2  . PRO   A 1 94  ? -20.236 -17.169 7.659   1.000 18.860 0 206 PRO   A HB2  1 c 
ATOM   1545 H  HB3  . PRO   A 1 94  ? -19.361 -18.089 6.675   1.000 18.828 0 206 PRO   A HB3  1 c 
ATOM   1546 H  HG2  . PRO   A 1 94  ? -18.916 -18.335 9.143   1.000 18.774 0 206 PRO   A HG2  1 c 
ATOM   1547 H  HG3  . PRO   A 1 94  ? -17.635 -18.236 8.194   1.000 18.781 0 206 PRO   A HG3  1 c 
ATOM   1548 H  HD2  . PRO   A 1 94  ? -18.769 -16.136 9.762   1.000 18.720 0 206 PRO   A HD2  1 c 
ATOM   1549 H  HD3  . PRO   A 1 94  ? -17.211 -16.484 9.601   1.000 18.713 0 206 PRO   A HD3  1 c 
ATOM   1550 N  N    . ASP   A 1 95  ? -20.376 -14.380 6.797   1.000 18.072 0 207 ASP   A N    1 ? 
ATOM   1551 C  CA   . ASP   A 1 95  ? -21.444 -13.570 6.226   1.000 18.146 0 207 ASP   A CA   1 ? 
ATOM   1552 C  C    . ASP   A 1 95  ? -21.180 -12.067 6.317   1.000 17.865 0 207 ASP   A C    1 ? 
ATOM   1553 O  O    . ASP   A 1 95  ? -21.920 -11.293 5.713   1.000 17.479 0 207 ASP   A O    1 ? 
ATOM   1554 C  CB   . ASP   A 1 95  ? -22.783 -13.907 6.864   1.000 18.520 0 207 ASP   A CB   1 ? 
ATOM   1555 C  CG   . ASP   A 1 95  ? -23.412 -15.205 6.386   1.000 19.445 0 207 ASP   A CG   1 ? 
ATOM   1556 O  OD1  . ASP   A 1 95  ? -22.982 -15.711 5.326   1.000 19.891 0 207 ASP   A OD1  1 ? 
ATOM   1557 O  OD2  . ASP   A 1 95  ? -24.310 -15.701 7.087   1.000 20.759 0 207 ASP   A OD2  1 ? 
ATOM   1558 H  H    . ASP   A 1 95  ? -20.225 -14.333 7.697   1.000 18.108 0 207 ASP   A H    1 c 
ATOM   1559 H  HA   . ASP   A 1 95  ? -21.521 -13.796 5.275   1.000 18.161 0 207 ASP   A HA   1 c 
ATOM   1560 H  HB2  . ASP   A 1 95  ? -22.663 -13.967 7.834   1.000 18.622 0 207 ASP   A HB2  1 c 
ATOM   1561 H  HB3  . ASP   A 1 95  ? -23.418 -13.183 6.684   1.000 18.577 0 207 ASP   A HB3  1 c 
ATOM   1562 N  N    . HIS   A 1 96  ? -20.144 -11.639 7.048   1.000 18.161 0 208 HIS   A N    1 ? 
ATOM   1563 C  CA   . HIS   A 1 96  ? -19.907 -10.213 7.207   1.000 18.179 0 208 HIS   A CA   1 ? 
ATOM   1564 C  C    . HIS   A 1 96  ? -18.458 -9.921  7.578   1.000 17.445 0 208 HIS   A C    1 ? 
ATOM   1565 O  O    . HIS   A 1 96  ? -17.718 -10.805 8.004   1.000 17.506 0 208 HIS   A O    1 ? 
ATOM   1566 C  CB   . HIS   A 1 96  ? -20.844 -9.606  8.257   1.000 19.773 0 208 HIS   A CB   1 ? 
ATOM   1567 C  CG   . HIS   A 1 96  ? -20.805 -10.262 9.595   1.000 21.656 0 208 HIS   A CG   1 ? 
ATOM   1568 N  ND1  . HIS   A 1 96  ? -21.830 -11.059 10.059  1.000 23.231 0 208 HIS   A ND1  1 ? 
ATOM   1569 C  CD2  . HIS   A 1 96  ? -19.892 -10.217 10.576  1.000 22.706 0 208 HIS   A CD2  1 ? 
ATOM   1570 C  CE1  . HIS   A 1 96  ? -21.526 -11.490 11.275  1.000 23.657 0 208 HIS   A CE1  1 ? 
ATOM   1571 N  NE2  . HIS   A 1 96  ? -20.354 -10.989 11.609  1.000 23.830 0 208 HIS   A NE2  1 ? 
ATOM   1572 H  H    . HIS   A 1 96  ? -19.580 -12.234 7.451   1.000 18.092 0 208 HIS   A H    1 c 
ATOM   1573 H  HA   . HIS   A 1 96  ? -20.091 -9.780  6.338   1.000 18.244 0 208 HIS   A HA   1 c 
ATOM   1574 H  HB2  . HIS   A 1 96  ? -20.617 -8.657  8.367   1.000 19.682 0 208 HIS   A HB2  1 c 
ATOM   1575 H  HB3  . HIS   A 1 96  ? -21.761 -9.647  7.915   1.000 19.777 0 208 HIS   A HB3  1 c 
ATOM   1576 H  HD1  . HIS   A 1 96  ? -22.589 -11.227 9.624   0.000 26.469 0 208 HIS   A HD1  1 c 
ATOM   1577 H  HD2  . HIS   A 1 96  ? -19.078 -9.751  10.562  1.000 22.642 0 208 HIS   A HD2  1 c 
ATOM   1578 H  HE1  . HIS   A 1 96  ? -22.059 -12.056 11.808  1.000 23.615 0 208 HIS   A HE1  1 c 
ATOM   1579 H  HE2  . HIS   A 1 96  ? -19.933 -11.144 12.371  0.000 28.053 0 208 HIS   A HE2  1 c 
ATOM   1580 N  N    . PHE   A 1 97  ? -18.083 -8.652  7.390   1.000 16.715 0 209 PHE   A N    1 ? 
ATOM   1581 C  CA   . PHE   A 1 97  ? -16.914 -8.077  8.030   1.000 16.785 0 209 PHE   A CA   1 ? 
ATOM   1582 C  C    . PHE   A 1 97  ? -17.343 -7.536  9.389   1.000 17.036 0 209 PHE   A C    1 ? 
ATOM   1583 O  O    . PHE   A 1 97  ? -18.366 -6.861  9.478   1.000 17.937 0 209 PHE   A O    1 ? 
ATOM   1584 C  CB   . PHE   A 1 97  ? -16.320 -6.935  7.200   1.000 16.923 0 209 PHE   A CB   1 ? 
ATOM   1585 C  CG   . PHE   A 1 97  ? -15.774 -7.335  5.837   1.000 17.215 0 209 PHE   A CG   1 ? 
ATOM   1586 C  CD1  . PHE   A 1 97  ? -14.492 -7.863  5.716   1.000 17.688 0 209 PHE   A CD1  1 ? 
ATOM   1587 C  CD2  . PHE   A 1 97  ? -16.530 -7.163  4.683   1.000 17.138 0 209 PHE   A CD2  1 ? 
ATOM   1588 C  CE1  . PHE   A 1 97  ? -13.988 -8.221  4.474   1.000 18.073 0 209 PHE   A CE1  1 ? 
ATOM   1589 C  CE2  . PHE   A 1 97  ? -16.021 -7.522  3.444   1.000 17.738 0 209 PHE   A CE2  1 ? 
ATOM   1590 C  CZ   . PHE   A 1 97  ? -14.752 -8.049  3.343   1.000 17.919 0 209 PHE   A CZ   1 ? 
ATOM   1591 H  H    . PHE   A 1 97  ? -18.580 -8.122  6.835   1.000 16.865 0 209 PHE   A H    1 c 
ATOM   1592 H  HA   . PHE   A 1 97  ? -16.227 -8.783  8.155   1.000 16.835 0 209 PHE   A HA   1 c 
ATOM   1593 H  HB2  . PHE   A 1 97  ? -17.016 -6.253  7.071   1.000 16.944 0 209 PHE   A HB2  1 c 
ATOM   1594 H  HB3  . PHE   A 1 97  ? -15.595 -6.522  7.719   1.000 16.962 0 209 PHE   A HB3  1 c 
ATOM   1595 H  HD1  . PHE   A 1 97  ? -13.963 -7.984  6.488   1.000 17.645 0 209 PHE   A HD1  1 c 
ATOM   1596 H  HD2  . PHE   A 1 97  ? -17.400 -6.802  4.745   1.000 17.251 0 209 PHE   A HD2  1 c 
ATOM   1597 H  HE1  . PHE   A 1 97  ? -13.119 -8.583  4.407   1.000 17.921 0 209 PHE   A HE1  1 c 
ATOM   1598 H  HE2  . PHE   A 1 97  ? -16.545 -7.403  2.670   1.000 17.631 0 209 PHE   A HE2  1 c 
ATOM   1599 H  HZ   . PHE   A 1 97  ? -14.408 -8.294  2.498   1.000 17.875 0 209 PHE   A HZ   1 c 
ATOM   1600 N  N    . LYS   A 1 98  ? -16.564 -7.846  10.431  1.000 16.860 0 210 LYS   A N    1 ? 
ATOM   1601 C  CA   . LYS   A 1 98  ? -16.771 -7.298  11.761  1.000 17.124 0 210 LYS   A CA   1 ? 
ATOM   1602 C  C    . LYS   A 1 98  ? -15.632 -6.327  12.061  1.000 16.570 0 210 LYS   A C    1 ? 
ATOM   1603 O  O    . LYS   A 1 98  ? -14.469 -6.670  11.873  1.000 17.200 0 210 LYS   A O    1 ? 
ATOM   1604 C  CB   . LYS   A 1 98  ? -16.819 -8.430  12.793  1.000 18.207 0 210 LYS   A CB   1 ? 
ATOM   1605 C  CG   . LYS   A 1 98  ? -17.236 -8.010  14.193  1.000 19.391 0 210 LYS   A CG   1 ? 
ATOM   1606 H  H    . LYS   A 1 98  ? -15.872 -8.430  10.306  1.000 16.928 0 210 LYS   A H    1 c 
ATOM   1607 H  HA   . LYS   A 1 98  ? -17.630 -6.806  11.776  1.000 17.124 0 210 LYS   A HA   1 c 
ATOM   1608 H  HB2  . LYS   A 1 98  ? -17.447 -9.115  12.477  1.000 18.211 0 210 LYS   A HB2  1 c 
ATOM   1609 H  HB3  . LYS   A 1 98  ? -15.932 -8.843  12.846  1.000 18.200 0 210 LYS   A HB3  1 c 
ATOM   1610 H  HG2  . LYS   A 1 98  ? -16.525 -7.449  14.573  1.000 19.092 0 210 LYS   A HG2  1 c 
ATOM   1611 H  HG3  . LYS   A 1 98  ? -18.084 -7.651  14.212  0.000 24.932 0 210 LYS   A HG3  1 c 
ATOM   1612 N  N    . VAL   A 1 99  ? -15.976 -5.118  12.518  1.000 15.654 0 211 VAL   A N    1 ? 
ATOM   1613 C  CA   . VAL   A 1 99  ? -14.991 -4.083  12.791  1.000 15.578 0 211 VAL   A CA   1 ? 
ATOM   1614 C  C    . VAL   A 1 99  ? -15.011 -3.751  14.282  1.000 15.733 0 211 VAL   A C    1 ? 
ATOM   1615 O  O    . VAL   A 1 99  ? -16.063 -3.471  14.855  1.000 15.774 0 211 VAL   A O    1 ? 
ATOM   1616 C  CB   . VAL   A 1 99  ? -15.222 -2.815  11.946  1.000 15.881 0 211 VAL   A CB   1 ? 
ATOM   1617 C  CG1  . VAL   A 1 99  ? -14.176 -1.745  12.237  1.000 15.970 0 211 VAL   A CG1  1 ? 
ATOM   1618 C  CG2  . VAL   A 1 99  ? -15.258 -3.128  10.456  1.000 16.160 0 211 VAL   A CG2  1 ? 
ATOM   1619 H  H    . VAL   A 1 99  ? -16.858 -4.932  12.667  1.000 15.771 0 211 VAL   A H    1 c 
ATOM   1620 H  HA   . VAL   A 1 99  ? -14.112 -4.436  12.567  1.000 15.667 0 211 VAL   A HA   1 c 
ATOM   1621 H  HB   . VAL   A 1 99  ? -16.103 -2.453  12.199  1.000 15.873 0 211 VAL   A HB   1 c 
ATOM   1622 H  HG11 . VAL   A 1 99  ? -13.288 -2.109  12.088  1.000 15.969 0 211 VAL   A HG11 1 c 
ATOM   1623 H  HG12 . VAL   A 1 99  ? -14.255 -1.451  13.160  1.000 15.947 0 211 VAL   A HG12 1 c 
ATOM   1624 H  HG13 . VAL   A 1 99  ? -14.316 -0.986  11.645  1.000 15.949 0 211 VAL   A HG13 1 c 
ATOM   1625 H  HG21 . VAL   A 1 99  ? -15.387 -2.305  9.955   1.000 16.099 0 211 VAL   A HG21 1 c 
ATOM   1626 H  HG22 . VAL   A 1 99  ? -15.991 -3.738  10.268  1.000 16.111 0 211 VAL   A HG22 1 c 
ATOM   1627 H  HG23 . VAL   A 1 99  ? -14.418 -3.539  10.190  1.000 16.097 0 211 VAL   A HG23 1 c 
ATOM   1628 N  N    . ALA   A 1 100 ? -13.822 -3.772  14.892  1.000 15.627 0 212 ALA   A N    1 ? 
ATOM   1629 C  CA   . ALA   A 1 100 ? -13.612 -3.272  16.241  1.000 16.204 0 212 ALA   A CA   1 ? 
ATOM   1630 C  C    . ALA   A 1 100 ? -12.529 -2.198  16.208  1.000 15.936 0 212 ALA   A C    1 ? 
ATOM   1631 O  O    . ALA   A 1 100 ? -11.547 -2.339  15.484  1.000 16.409 0 212 ALA   A O    1 ? 
ATOM   1632 C  CB   . ALA   A 1 100 ? -13.221 -4.407  17.162  1.000 17.042 0 212 ALA   A CB   1 ? 
ATOM   1633 H  H    . ALA   A 1 100 ? -13.105 -4.118  14.444  1.000 15.727 0 212 ALA   A H    1 c 
ATOM   1634 H  HA   . ALA   A 1 100 ? -14.459 -2.860  16.565  1.000 16.213 0 212 ALA   A HA   1 c 
ATOM   1635 H  HB1  . ALA   A 1 100 ? -13.923 -5.079  17.170  1.000 16.930 0 212 ALA   A HB1  1 c 
ATOM   1636 H  HB2  . ALA   A 1 100 ? -12.394 -4.811  16.849  1.000 16.887 0 212 ALA   A HB2  1 c 
ATOM   1637 H  HB3  . ALA   A 1 100 ? -13.092 -4.067  18.063  1.000 16.835 0 212 ALA   A HB3  1 c 
ATOM   1638 N  N    . VAL   A 1 101 ? -12.721 -1.137  16.997  1.000 15.623 0 213 VAL   A N    1 ? 
ATOM   1639 C  CA   . VAL   A 1 101 ? -11.746 -0.066  17.110  1.000 15.496 0 213 VAL   A CA   1 ? 
ATOM   1640 C  C    . VAL   A 1 101 ? -11.313 0.023   18.570  1.000 15.990 0 213 VAL   A C    1 ? 
ATOM   1641 O  O    . VAL   A 1 101 ? -12.148 0.076   19.467  1.000 15.831 0 213 VAL   A O    1 ? 
ATOM   1642 C  CB   . VAL   A 1 101 ? -12.284 1.281   16.586  1.000 15.365 0 213 VAL   A CB   1 ? 
ATOM   1643 C  CG1  . VAL   A 1 101 ? -11.276 2.410   16.768  1.000 15.810 0 213 VAL   A CG1  1 ? 
ATOM   1644 C  CG2  . VAL   A 1 101 ? -12.693 1.181   15.122  1.000 15.464 0 213 VAL   A CG2  1 ? 
ATOM   1645 H  H    . VAL   A 1 101 ? -13.491 -1.079  17.487  1.000 15.646 0 213 VAL   A H    1 c 
ATOM   1646 H  HA   . VAL   A 1 101 ? -10.969 -0.307  16.575  1.000 15.606 0 213 VAL   A HA   1 c 
ATOM   1647 H  HB   . VAL   A 1 101 ? -13.088 1.501   17.113  1.000 15.404 0 213 VAL   A HB   1 c 
ATOM   1648 H  HG11 . VAL   A 1 101 ? -10.438 2.169   16.340  1.000 15.779 0 213 VAL   A HG11 1 c 
ATOM   1649 H  HG12 . VAL   A 1 101 ? -11.123 2.562   17.716  1.000 15.709 0 213 VAL   A HG12 1 c 
ATOM   1650 H  HG13 . VAL   A 1 101 ? -11.623 3.222   16.363  1.000 15.724 0 213 VAL   A HG13 1 c 
ATOM   1651 H  HG21 . VAL   A 1 101 ? -13.020 2.044   14.817  1.000 15.438 0 213 VAL   A HG21 1 c 
ATOM   1652 H  HG22 . VAL   A 1 101 ? -13.395 0.517   15.025  1.000 15.441 0 213 VAL   A HG22 1 c 
ATOM   1653 H  HG23 . VAL   A 1 101 ? -11.924 0.920   14.587  1.000 15.441 0 213 VAL   A HG23 1 c 
ATOM   1654 N  N    . ASN   A 1 102 ? -9.993  0.009   18.796  1.000 16.174 0 214 ASN   A N    1 ? 
ATOM   1655 C  CA   . ASN   A 1 102 ? -9.426  0.101   20.133  1.000 17.001 0 214 ASN   A CA   1 ? 
ATOM   1656 C  C    . ASN   A 1 102 ? -10.076 -0.936  21.052  1.000 18.181 0 214 ASN   A C    1 ? 
ATOM   1657 O  O    . ASN   A 1 102 ? -10.404 -0.629  22.195  1.000 18.903 0 214 ASN   A O    1 ? 
ATOM   1658 C  CB   . ASN   A 1 102 ? -9.551  1.519   20.682  1.000 16.658 0 214 ASN   A CB   1 ? 
ATOM   1659 C  CG   . ASN   A 1 102 ? -8.899  2.549   19.789  1.000 16.321 0 214 ASN   A CG   1 ? 
ATOM   1660 O  OD1  . ASN   A 1 102 ? -8.025  2.215   18.981  1.000 15.971 0 214 ASN   A OD1  1 ? 
ATOM   1661 N  ND2  . ASN   A 1 102 ? -9.293  3.807   19.927  1.000 16.664 0 214 ASN   A ND2  1 ? 
ATOM   1662 H  H    . ASN   A 1 102 ? -9.422  -0.059  18.086  1.000 16.288 0 214 ASN   A H    1 c 
ATOM   1663 H  HA   . ASN   A 1 102 ? -8.466  -0.107  20.070  1.000 16.987 0 214 ASN   A HA   1 c 
ATOM   1664 H  HB2  . ASN   A 1 102 ? -10.497 1.740   20.787  1.000 16.645 0 214 ASN   A HB2  1 c 
ATOM   1665 H  HB3  . ASN   A 1 102 ? -9.133  1.557   21.566  1.000 16.650 0 214 ASN   A HB3  1 c 
ATOM   1666 H  HD21 . ASN   A 1 102 ? -9.908  4.017   20.531  1.000 16.594 0 214 ASN   A HD21 1 c 
ATOM   1667 H  HD22 . ASN   A 1 102 ? -8.940  4.439   19.415  1.000 16.579 0 214 ASN   A HD22 1 c 
ATOM   1668 N  N    . ASP   A 1 103 ? -10.251 -2.158  20.529  1.000 18.929 0 215 ASP   A N    1 ? 
ATOM   1669 C  CA   . ASP   A 1 103 ? -10.757 -3.310  21.264  1.000 20.319 0 215 ASP   A CA   1 ? 
ATOM   1670 C  C    . ASP   A 1 103 ? -12.220 -3.160  21.678  1.000 20.450 0 215 ASP   A C    1 ? 
ATOM   1671 O  O    . ASP   A 1 103 ? -12.659 -3.850  22.595  1.000 22.147 0 215 ASP   A O    1 ? 
ATOM   1672 C  CB   . ASP   A 1 103 ? -9.886  -3.655  22.463  1.000 21.640 0 215 ASP   A CB   1 ? 
ATOM   1673 C  CG   . ASP   A 1 103 ? -8.473  -4.086  22.113  1.000 22.941 0 215 ASP   A CG   1 ? 
ATOM   1674 O  OD1  . ASP   A 1 103 ? -8.337  -4.996  21.272  1.000 24.327 0 215 ASP   A OD1  1 ? 
ATOM   1675 O  OD2  . ASP   A 1 103 ? -7.528  -3.504  22.681  1.000 24.938 0 215 ASP   A OD2  1 ? 
ATOM   1676 H  H    . ASP   A 1 103 ? -10.027 -2.283  19.652  1.000 18.957 0 215 ASP   A H    1 c 
ATOM   1677 H  HA   . ASP   A 1 103 ? -10.701 -4.088  20.664  1.000 20.286 0 215 ASP   A HA   1 c 
ATOM   1678 H  HB2  . ASP   A 1 103 ? -9.837  -2.889  23.070  1.000 21.566 0 215 ASP   A HB2  1 c 
ATOM   1679 H  HB3  . ASP   A 1 103 ? -10.300 -4.395  22.952  1.000 21.580 0 215 ASP   A HB3  1 c 
ATOM   1680 N  N    . ALA   A 1 104 ? -12.980 -2.309  20.980  1.000 19.640 0 216 ALA   A N    1 ? 
ATOM   1681 C  CA   . ALA   A 1 104 ? -14.417 -2.205  21.192  1.000 19.577 0 216 ALA   A CA   1 ? 
ATOM   1682 C  C    . ALA   A 1 104 ? -15.142 -2.439  19.870  1.000 19.292 0 216 ALA   A C    1 ? 
ATOM   1683 O  O    . ALA   A 1 104 ? -14.830 -1.801  18.869  1.000 18.782 0 216 ALA   A O    1 ? 
ATOM   1684 C  CB   . ALA   A 1 104 ? -14.768 -0.850  21.770  1.000 19.680 0 216 ALA   A CB   1 ? 
ATOM   1685 H  H    . ALA   A 1 104 ? -12.595 -1.779  20.344  1.000 19.726 0 216 ALA   A H    1 c 
ATOM   1686 H  HA   . ALA   A 1 104 ? -14.696 -2.915  21.833  1.000 19.556 0 216 ALA   A HA   1 c 
ATOM   1687 H  HB1  . ALA   A 1 104 ? -14.319 -0.732  22.623  1.000 19.646 0 216 ALA   A HB1  1 c 
ATOM   1688 H  HB2  . ALA   A 1 104 ? -14.485 -0.150  21.158  1.000 19.681 0 216 ALA   A HB2  1 c 
ATOM   1689 H  HB3  . ALA   A 1 104 ? -15.729 -0.790  21.902  1.000 19.638 0 216 ALA   A HB3  1 c 
ATOM   1690 N  N    . HIS   A 1 105 ? -16.126 -3.344  19.883  1.000 19.628 0 217 HIS   A N    1 ? 
ATOM   1691 C  CA   . HIS   A 1 105 ? -16.921 -3.620  18.700  1.000 20.049 0 217 HIS   A CA   1 ? 
ATOM   1692 C  C    . HIS   A 1 105 ? -17.536 -2.323  18.181  1.000 19.771 0 217 HIS   A C    1 ? 
ATOM   1693 O  O    . HIS   A 1 105 ? -18.058 -1.529  18.965  1.000 20.623 0 217 HIS   A O    1 ? 
ATOM   1694 C  CB   . HIS   A 1 105 ? -18.014 -4.651  19.003  1.000 20.656 0 217 HIS   A CB   1 ? 
ATOM   1695 C  CG   . HIS   A 1 105 ? -18.941 -4.865  17.855  1.000 21.867 0 217 HIS   A CG   1 ? 
ATOM   1696 N  ND1  . HIS   A 1 105 ? -18.569 -5.578  16.738  1.000 22.935 0 217 HIS   A ND1  1 ? 
ATOM   1697 C  CD2  . HIS   A 1 105 ? -20.187 -4.432  17.622  1.000 22.283 0 217 HIS   A CD2  1 ? 
ATOM   1698 C  CE1  . HIS   A 1 105 ? -19.577 -5.593  15.876  1.000 22.927 0 217 HIS   A CE1  1 ? 
ATOM   1699 N  NE2  . HIS   A 1 105 ? -20.571 -4.905  16.394  1.000 22.493 0 217 HIS   A NE2  1 ? 
ATOM   1700 H  H    . HIS   A 1 105 ? -16.308 -3.802  20.653  1.000 19.606 0 217 HIS   A H    1 c 
ATOM   1701 H  HA   . HIS   A 1 105 ? -16.319 -3.983  18.004  1.000 20.022 0 217 HIS   A HA   1 c 
ATOM   1702 H  HB2  . HIS   A 1 105 ? -17.590 -5.505  19.235  1.000 20.750 0 217 HIS   A HB2  1 c 
ATOM   1703 H  HB3  . HIS   A 1 105 ? -18.531 -4.345  19.780  1.000 20.761 0 217 HIS   A HB3  1 c 
ATOM   1704 H  HD1  . HIS   A 1 105 ? -17.783 -5.932  16.611  0.000 25.190 0 217 HIS   A HD1  1 c 
ATOM   1705 H  HD2  . HIS   A 1 105 ? -20.717 -3.917  18.199  1.000 22.233 0 217 HIS   A HD2  1 c 
ATOM   1706 H  HE1  . HIS   A 1 105 ? -19.577 -6.022  15.041  1.000 22.808 0 217 HIS   A HE1  1 c 
ATOM   1707 H  HE2  . HIS   A 1 105 ? -21.357 -4.749  16.001  0.000 23.011 0 217 HIS   A HE2  1 c 
ATOM   1708 N  N    . LEU   A 1 106 ? -17.499 -2.136  16.854  1.000 18.726 0 218 LEU   A N    1 ? 
ATOM   1709 C  CA   . LEU   A 1 106 ? -18.053 -0.944  16.230  1.000 18.804 0 218 LEU   A CA   1 ? 
ATOM   1710 C  C    . LEU   A 1 106 ? -19.251 -1.304  15.354  1.000 18.474 0 218 LEU   A C    1 ? 
ATOM   1711 O  O    . LEU   A 1 106 ? -20.345 -0.781  15.564  1.000 19.467 0 218 LEU   A O    1 ? 
ATOM   1712 C  CB   . LEU   A 1 106 ? -16.981 -0.211  15.426  1.000 18.916 0 218 LEU   A CB   1 ? 
ATOM   1713 C  CG   . LEU   A 1 106 ? -17.446 1.048   14.684  1.000 19.187 0 218 LEU   A CG   1 ? 
ATOM   1714 C  CD1  . LEU   A 1 106 ? -18.000 2.094   15.641  1.000 19.626 0 218 LEU   A CD1  1 ? 
ATOM   1715 C  CD2  . LEU   A 1 106 ? -16.311 1.630   13.859  1.000 19.190 0 218 LEU   A CD2  1 ? 
ATOM   1716 H  H    . LEU   A 1 106 ? -17.117 -2.773  16.322  1.000 18.908 0 218 LEU   A H    1 c 
ATOM   1717 H  HA   . LEU   A 1 106 ? -18.374 -0.343  16.949  1.000 18.773 0 218 LEU   A HA   1 c 
ATOM   1718 H  HB2  . LEU   A 1 106 ? -16.254 0.042   16.041  1.000 18.952 0 218 LEU   A HB2  1 c 
ATOM   1719 H  HB3  . LEU   A 1 106 ? -16.608 -0.840  14.766  1.000 18.941 0 218 LEU   A HB3  1 c 
ATOM   1720 H  HG   . LEU   A 1 106 ? -18.172 0.790   14.060  1.000 19.205 0 218 LEU   A HG   1 c 
ATOM   1721 H  HD11 . LEU   A 1 106 ? -18.793 1.746   16.082  1.000 19.542 0 218 LEU   A HD11 1 c 
ATOM   1722 H  HD12 . LEU   A 1 106 ? -18.235 2.896   15.144  1.000 19.522 0 218 LEU   A HD12 1 c 
ATOM   1723 H  HD13 . LEU   A 1 106 ? -17.329 2.313   16.308  1.000 19.542 0 218 LEU   A HD13 1 c 
ATOM   1724 H  HD21 . LEU   A 1 106 ? -16.006 0.970   13.215  1.000 19.178 0 218 LEU   A HD21 1 c 
ATOM   1725 H  HD22 . LEU   A 1 106 ? -15.576 1.874   14.445  1.000 19.188 0 218 LEU   A HD22 1 c 
ATOM   1726 H  HD23 . LEU   A 1 106 ? -16.625 2.420   13.388  1.000 19.204 0 218 LEU   A HD23 1 c 
ATOM   1727 N  N    . LEU   A 1 107 ? -19.041 -2.166  14.351  1.000 17.852 0 219 LEU   A N    1 ? 
ATOM   1728 C  CA   . LEU   A 1 107 ? -20.105 -2.481  13.406  1.000 18.070 0 219 LEU   A CA   1 ? 
ATOM   1729 C  C    . LEU   A 1 107 ? -19.854 -3.813  12.704  1.000 18.229 0 219 LEU   A C    1 ? 
ATOM   1730 O  O    . LEU   A 1 107 ? -18.764 -4.381  12.791  1.000 18.143 0 219 LEU   A O    1 ? 
ATOM   1731 C  CB   . LEU   A 1 107 ? -20.249 -1.345  12.389  1.000 18.179 0 219 LEU   A CB   1 ? 
ATOM   1732 C  CG   . LEU   A 1 107 ? -19.032 -1.046  11.502  1.000 18.417 0 219 LEU   A CG   1 ? 
ATOM   1733 C  CD1  . LEU   A 1 107 ? -18.914 -1.981  10.309  1.000 18.326 0 219 LEU   A CD1  1 ? 
ATOM   1734 C  CD2  . LEU   A 1 107 ? -19.068 0.395   11.017  1.000 18.581 0 219 LEU   A CD2  1 ? 
ATOM   1735 H  H    . LEU   A 1 107 ? -18.224 -2.562  14.251  1.000 17.983 0 219 LEU   A H    1 c 
ATOM   1736 H  HA   . LEU   A 1 107 ? -20.952 -2.562  13.915  1.000 18.070 0 219 LEU   A HA   1 c 
ATOM   1737 H  HB2  . LEU   A 1 107 ? -21.012 -1.557  11.803  1.000 18.218 0 219 LEU   A HB2  1 c 
ATOM   1738 H  HB3  . LEU   A 1 107 ? -20.484 -0.524  12.880  1.000 18.197 0 219 LEU   A HB3  1 c 
ATOM   1739 H  HG   . LEU   A 1 107 ? -18.216 -1.158  12.054  1.000 18.383 0 219 LEU   A HG   1 c 
ATOM   1740 H  HD11 . LEU   A 1 107 ? -18.755 -2.888  10.617  1.000 18.352 0 219 LEU   A HD11 1 c 
ATOM   1741 H  HD12 . LEU   A 1 107 ? -18.173 -1.698  9.748   1.000 18.308 0 219 LEU   A HD12 1 c 
ATOM   1742 H  HD13 . LEU   A 1 107 ? -19.738 -1.955  9.793   1.000 18.344 0 219 LEU   A HD13 1 c 
ATOM   1743 H  HD21 . LEU   A 1 107 ? -19.043 0.996   11.781  1.000 18.541 0 219 LEU   A HD21 1 c 
ATOM   1744 H  HD22 . LEU   A 1 107 ? -19.884 0.548   10.512  1.000 18.524 0 219 LEU   A HD22 1 c 
ATOM   1745 H  HD23 . LEU   A 1 107 ? -18.299 0.565   10.448  1.000 18.521 0 219 LEU   A HD23 1 c 
ATOM   1746 N  N    A GLN   A 1 108 ? -20.897 -4.291  12.016  0.500 18.292 0 220 GLN   A N    1 ? 
ATOM   1747 N  N    B GLN   A 1 108 ? -20.886 -4.290  11.993  0.500 18.417 0 220 GLN   A N    1 ? 
ATOM   1748 C  CA   A GLN   A 1 108 ? -20.792 -5.400  11.084  0.500 18.873 0 220 GLN   A CA   1 ? 
ATOM   1749 C  CA   B GLN   A 1 108 ? -20.758 -5.423  11.089  0.500 19.139 0 220 GLN   A CA   1 ? 
ATOM   1750 C  C    A GLN   A 1 108 ? -21.291 -4.923  9.724   0.500 18.184 0 220 GLN   A C    1 ? 
ATOM   1751 C  C    B GLN   A 1 108 ? -21.372 -5.041  9.743   0.500 18.417 0 220 GLN   A C    1 ? 
ATOM   1752 O  O    A GLN   A 1 108 ? -22.116 -4.013  9.652   0.500 18.570 0 220 GLN   A O    1 ? 
ATOM   1753 O  O    B GLN   A 1 108 ? -22.390 -4.353  9.699   0.500 19.003 0 220 GLN   A O    1 ? 
ATOM   1754 C  CB   A GLN   A 1 108 ? -21.564 -6.611  11.606  0.500 19.827 0 220 GLN   A CB   1 ? 
ATOM   1755 C  CB   B GLN   A 1 108 ? -21.416 -6.680  11.661  0.500 20.347 0 220 GLN   A CB   1 ? 
ATOM   1756 C  CG   A GLN   A 1 108 ? -20.817 -7.370  12.696  0.500 20.570 0 220 GLN   A CG   1 ? 
ATOM   1757 C  CG   B GLN   A 1 108 ? -22.928 -6.734  11.477  0.500 21.084 0 220 GLN   A CG   1 ? 
ATOM   1758 C  CD   A GLN   A 1 108 ? -21.712 -8.227  13.562  0.500 21.595 0 220 GLN   A CD   1 ? 
ATOM   1759 C  CD   B GLN   A 1 108 ? -23.548 -8.017  11.988  0.500 22.096 0 220 GLN   A CD   1 ? 
ATOM   1760 O  OE1  A GLN   A 1 108 ? -21.264 -8.826  14.546  0.500 22.709 0 220 GLN   A OE1  1 ? 
ATOM   1761 O  OE1  B GLN   A 1 108 ? -22.856 -8.927  12.458  0.500 22.673 0 220 GLN   A OE1  1 ? 
ATOM   1762 N  NE2  A GLN   A 1 108 ? -22.989 -8.278  13.214  0.500 21.868 0 220 GLN   A NE2  1 ? 
ATOM   1763 N  NE2  B GLN   A 1 108 ? -24.867 -8.104  11.898  0.500 22.842 0 220 GLN   A NE2  1 ? 
ATOM   1764 H  H    A GLN   A 1 108 ? -21.717 -3.906  12.139  0.500 18.362 0 220 GLN   A H    1 c 
ATOM   1765 H  H    B GLN   A 1 108 ? -21.704 -3.892  12.079  0.500 18.479 0 220 GLN   A H    1 c 
ATOM   1766 H  HA   A GLN   A 1 108 ? -19.839 -5.647  11.000  0.500 18.805 0 220 GLN   A HA   1 c 
ATOM   1767 H  HA   B GLN   A 1 108 ? -19.796 -5.605  10.956  0.500 19.053 0 220 GLN   A HA   1 c 
ATOM   1768 H  HB2  A GLN   A 1 108 ? -22.427 -6.309  11.961  0.500 19.788 0 220 GLN   A HB2  1 c 
ATOM   1769 H  HB2  B GLN   A 1 108 ? -21.016 -7.465  11.230  0.500 20.215 0 220 GLN   A HB2  1 c 
ATOM   1770 H  HB3  A GLN   A 1 108 ? -21.744 -7.219  10.859  0.500 19.768 0 220 GLN   A HB3  1 c 
ATOM   1771 H  HB3  B GLN   A 1 108 ? -21.211 -6.732  12.618  0.500 20.217 0 220 GLN   A HB3  1 c 
ATOM   1772 H  HG2  A GLN   A 1 108 ? -20.141 -7.946  12.280  0.500 20.603 0 220 GLN   A HG2  1 c 
ATOM   1773 H  HG2  B GLN   A 1 108 ? -23.338 -5.976  11.946  0.500 21.140 0 220 GLN   A HG2  1 c 
ATOM   1774 H  HG3  A GLN   A 1 108 ? -20.347 -6.729  13.267  0.500 20.595 0 220 GLN   A HG3  1 c 
ATOM   1775 H  HG3  B GLN   A 1 108 ? -23.138 -6.644  10.524  0.500 21.191 0 220 GLN   A HG3  1 c 
ATOM   1776 H  HE21 A GLN   A 1 108 ? -23.268 -7.846  12.492  0.500 21.796 0 220 GLN   A HE21 1 c 
ATOM   1777 H  HE21 B GLN   A 1 108 ? -25.332 -7.433  11.551  0.500 22.670 0 220 GLN   A HE21 1 c 
ATOM   1778 H  HE22 A GLN   A 1 108 ? -23.563 -8.746  13.703  0.500 21.800 0 220 GLN   A HE22 1 c 
ATOM   1779 H  HE22 B GLN   A 1 108 ? -25.283 -8.833  12.184  0.500 22.669 0 220 GLN   A HE22 1 c 
ATOM   1780 N  N    . TYR   A 1 109 ? -20.751 -5.522  8.658   1.000 17.636 0 221 TYR   A N    1 ? 
ATOM   1781 C  CA   . TYR   A 1 109 ? -21.131 -5.185  7.295   1.000 17.015 0 221 TYR   A CA   1 ? 
ATOM   1782 C  C    . TYR   A 1 109 ? -21.282 -6.480  6.503   1.000 17.216 0 221 TYR   A C    1 ? 
ATOM   1783 O  O    . TYR   A 1 109 ? -20.302 -7.188  6.292   1.000 17.044 0 221 TYR   A O    1 ? 
ATOM   1784 C  CB   . TYR   A 1 109 ? -20.057 -4.286  6.670   1.000 16.648 0 221 TYR   A CB   1 ? 
ATOM   1785 C  CG   . TYR   A 1 109 ? -20.405 -3.711  5.304   1.000 16.579 0 221 TYR   A CG   1 ? 
ATOM   1786 C  CD1  . TYR   A 1 109 ? -21.079 -2.500  5.195   1.000 16.441 0 221 TYR   A CD1  1 ? 
ATOM   1787 C  CD2  . TYR   A 1 109 ? -20.049 -4.361  4.126   1.000 16.568 0 221 TYR   A CD2  1 ? 
ATOM   1788 C  CE1  . TYR   A 1 109 ? -21.397 -1.959  3.962   1.000 16.295 0 221 TYR   A CE1  1 ? 
ATOM   1789 C  CE2  . TYR   A 1 109 ? -20.361 -3.827  2.884   1.000 16.725 0 221 TYR   A CE2  1 ? 
ATOM   1790 C  CZ   . TYR   A 1 109 ? -21.033 -2.620  2.803   1.000 16.502 0 221 TYR   A CZ   1 ? 
ATOM   1791 O  OH   . TYR   A 1 109 ? -21.345 -2.071  1.595   1.000 16.739 0 221 TYR   A OH   1 ? 
ATOM   1792 H  H    . TYR   A 1 109 ? -20.080 -6.131  8.778   1.000 17.756 0 221 TYR   A H    1 c 
ATOM   1793 H  HA   . TYR   A 1 109 ? -21.998 -4.700  7.300   1.000 17.100 0 221 TYR   A HA   1 c 
ATOM   1794 H  HB2  . TYR   A 1 109 ? -19.881 -3.542  7.288   1.000 16.686 0 221 TYR   A HB2  1 c 
ATOM   1795 H  HB3  . TYR   A 1 109 ? -19.227 -4.805  6.591   1.000 16.688 0 221 TYR   A HB3  1 c 
ATOM   1796 H  HD1  . TYR   A 1 109 ? -21.329 -2.038  5.979   1.000 16.423 0 221 TYR   A HD1  1 c 
ATOM   1797 H  HD2  . TYR   A 1 109 ? -19.587 -5.183  4.172   1.000 16.576 0 221 TYR   A HD2  1 c 
ATOM   1798 H  HE1  . TYR   A 1 109 ? -21.853 -1.136  3.910   1.000 16.365 0 221 TYR   A HE1  1 c 
ATOM   1799 H  HE2  . TYR   A 1 109 ? -20.111 -4.281  2.098   1.000 16.623 0 221 TYR   A HE2  1 c 
ATOM   1800 H  HH   . TYR   A 1 109 ? -20.717 -1.546  1.335   0.000 17.134 0 221 TYR   A HH   1 c 
ATOM   1801 N  N    . ASN   A 1 110 ? -22.514 -6.784  6.076   1.000 17.570 0 222 ASN   A N    1 ? 
ATOM   1802 C  CA   . ASN   A 1 110 ? -22.798 -8.021  5.363   1.000 18.233 0 222 ASN   A CA   1 ? 
ATOM   1803 C  C    . ASN   A 1 110 ? -22.088 -8.026  4.010   1.000 17.520 0 222 ASN   A C    1 ? 
ATOM   1804 O  O    . ASN   A 1 110 ? -22.016 -6.996  3.342   1.000 17.862 0 222 ASN   A O    1 ? 
ATOM   1805 C  CB   . ASN   A 1 110 ? -24.296 -8.220  5.157   1.000 19.695 0 222 ASN   A CB   1 ? 
ATOM   1806 C  CG   . ASN   A 1 110 ? -25.067 -8.441  6.438   1.000 21.873 0 222 ASN   A CG   1 ? 
ATOM   1807 O  OD1  . ASN   A 1 110 ? -26.273 -8.169  6.487   1.000 24.527 0 222 ASN   A OD1  1 ? 
ATOM   1808 N  ND2  . ASN   A 1 110 ? -24.415 -8.932  7.481   1.000 22.453 0 222 ASN   A ND2  1 ? 
ATOM   1809 H  H    . ASN   A 1 110 ? -23.199 -6.200  6.233   1.000 17.613 0 222 ASN   A H    1 c 
ATOM   1810 H  HA   . ASN   A 1 110 ? -22.462 -8.772  5.898   1.000 18.203 0 222 ASN   A HA   1 c 
ATOM   1811 H  HB2  . ASN   A 1 110 ? -24.660 -7.434  4.702   1.000 19.723 0 222 ASN   A HB2  1 c 
ATOM   1812 H  HB3  . ASN   A 1 110 ? -24.433 -8.991  4.572   1.000 19.756 0 222 ASN   A HB3  1 c 
ATOM   1813 H  HD21 . ASN   A 1 110 ? -23.896 -9.646  7.383   1.000 22.214 0 222 ASN   A HD21 1 c 
ATOM   1814 H  HD22 . ASN   A 1 110 ? -24.509 -8.551  8.280   1.000 22.289 0 222 ASN   A HD22 1 c 
ATOM   1815 N  N    . HIS   A 1 111 ? -21.583 -9.200  3.601   1.000 17.153 0 223 HIS   A N    1 ? 
ATOM   1816 C  CA   . HIS   A 1 111 ? -20.875 -9.344  2.337   1.000 17.182 0 223 HIS   A CA   1 ? 
ATOM   1817 C  C    . HIS   A 1 111 ? -21.841 -9.139  1.172   1.000 17.762 0 223 HIS   A C    1 ? 
ATOM   1818 O  O    . HIS   A 1 111 ? -22.779 -9.916  1.008   1.000 18.956 0 223 HIS   A O    1 ? 
ATOM   1819 C  CB   . HIS   A 1 111 ? -20.229 -10.731 2.215   1.000 17.093 0 223 HIS   A CB   1 ? 
ATOM   1820 C  CG   . HIS   A 1 111 ? -19.127 -10.995 3.185   1.000 16.774 0 223 HIS   A CG   1 ? 
ATOM   1821 N  ND1  . HIS   A 1 111 ? -18.073 -10.135 3.409   1.000 16.739 0 223 HIS   A ND1  1 ? 
ATOM   1822 C  CD2  . HIS   A 1 111 ? -18.912 -12.061 3.965   1.000 17.030 0 223 HIS   A CD2  1 ? 
ATOM   1823 C  CE1  . HIS   A 1 111 ? -17.264 -10.669 4.314   1.000 16.815 0 223 HIS   A CE1  1 ? 
ATOM   1824 N  NE2  . HIS   A 1 111 ? -17.764 -11.837 4.673   1.000 16.966 0 223 HIS   A NE2  1 ? 
ATOM   1825 H  H    . HIS   A 1 111 ? -21.686 -9.937  4.131   1.000 17.207 0 223 HIS   A H    1 c 
ATOM   1826 H  HA   . HIS   A 1 111 ? -20.171 -8.652  2.291   1.000 17.220 0 223 HIS   A HA   1 c 
ATOM   1827 H  HB2  . HIS   A 1 111 ? -20.926 -11.411 2.336   1.000 17.070 0 223 HIS   A HB2  1 c 
ATOM   1828 H  HB3  . HIS   A 1 111 ? -19.878 -10.833 1.303   1.000 17.052 0 223 HIS   A HB3  1 c 
ATOM   1829 H  HD1  . HIS   A 1 111 ? -17.962 -9.371  2.979   0.000 16.205 0 223 HIS   A HD1  1 c 
ATOM   1830 H  HD2  . HIS   A 1 111 ? -19.460 -12.817 4.037   1.000 17.006 0 223 HIS   A HD2  1 c 
ATOM   1831 H  HE1  . HIS   A 1 111 ? -16.476 -10.277 4.649   1.000 16.815 0 223 HIS   A HE1  1 c 
ATOM   1832 H  HE2  . HIS   A 1 111 ? -17.406 -12.373 5.289   0.000 17.368 0 223 HIS   A HE2  1 c 
ATOM   1833 N  N    . ARG   A 1 112 ? -21.600 -8.088  0.377   1.000 17.637 0 224 ARG   A N    1 ? 
ATOM   1834 C  CA   . ARG   A 1 112 ? -22.323 -7.845  -0.862  1.000 17.929 0 224 ARG   A CA   1 ? 
ATOM   1835 C  C    . ARG   A 1 112 ? -21.578 -8.497  -2.023  1.000 18.285 0 224 ARG   A C    1 ? 
ATOM   1836 O  O    . ARG   A 1 112 ? -22.193 -9.106  -2.897  1.000 19.137 0 224 ARG   A O    1 ? 
ATOM   1837 C  CB   . ARG   A 1 112 ? -22.487 -6.340  -1.097  1.000 17.720 0 224 ARG   A CB   1 ? 
ATOM   1838 C  CG   . ARG   A 1 112 ? -23.215 -5.635  0.036   1.000 17.749 0 224 ARG   A CG   1 ? 
ATOM   1839 C  CD   . ARG   A 1 112 ? -23.565 -4.209  -0.333  1.000 17.675 0 224 ARG   A CD   1 ? 
ATOM   1840 N  NE   . ARG   A 1 112 ? -24.022 -3.440  0.828   1.000 17.767 0 224 ARG   A NE   1 ? 
ATOM   1841 C  CZ   . ARG   A 1 112 ? -24.201 -2.126  0.834   1.000 17.823 0 224 ARG   A CZ   1 ? 
ATOM   1842 N  NH1  . ARG   A 1 112 ? -24.008 -1.422  -0.270  1.000 17.672 0 224 ARG   A NH1  1 ? 
ATOM   1843 N  NH2  . ARG   A 1 112 ? -24.570 -1.520  1.949   1.000 18.274 0 224 ARG   A NH2  1 ? 
ATOM   1844 H  H    . ARG   A 1 112 ? -20.954 -7.490  0.624   1.000 17.694 0 224 ARG   A H    1 c 
ATOM   1845 H  HA   . ARG   A 1 112 ? -23.222 -8.256  -0.790  1.000 17.885 0 224 ARG   A HA   1 c 
ATOM   1846 H  HB2  . ARG   A 1 112 ? -21.600 -5.936  -1.206  1.000 17.782 0 224 ARG   A HB2  1 c 
ATOM   1847 H  HB3  . ARG   A 1 112 ? -22.985 -6.200  -1.931  1.000 17.753 0 224 ARG   A HB3  1 c 
ATOM   1848 H  HG2  . ARG   A 1 112 ? -24.040 -6.124  0.249   1.000 17.717 0 224 ARG   A HG2  1 c 
ATOM   1849 H  HG3  . ARG   A 1 112 ? -22.646 -5.629  0.836   1.000 17.734 0 224 ARG   A HG3  1 c 
ATOM   1850 H  HD2  . ARG   A 1 112 ? -22.778 -3.774  -0.719  1.000 17.667 0 224 ARG   A HD2  1 c 
ATOM   1851 H  HD3  . ARG   A 1 112 ? -24.270 -4.216  -1.012  1.000 17.687 0 224 ARG   A HD3  1 c 
ATOM   1852 H  HE   . ARG   A 1 112 ? -24.187 -3.875  1.565   1.000 17.761 0 224 ARG   A HE   1 c 
ATOM   1853 H  HH11 . ARG   A 1 112 ? -23.719 -0.585  -0.209  1.000 17.758 0 224 ARG   A HH11 1 c 
ATOM   1854 H  HH12 . ARG   A 1 112 ? -24.172 -1.782  -1.063  1.000 17.725 0 224 ARG   A HH12 1 c 
ATOM   1855 H  HH21 . ARG   A 1 112 ? -24.578 -0.636  1.987   1.000 18.144 0 224 ARG   A HH21 1 c 
ATOM   1856 H  HH22 . ARG   A 1 112 ? -24.807 -1.998  2.654   1.000 18.144 0 224 ARG   A HH22 1 c 
ATOM   1857 N  N    . VAL   A 1 113 ? -20.249 -8.333  -2.027  1.000 18.623 0 225 VAL   A N    1 ? 
ATOM   1858 C  CA   . VAL   A 1 113 ? -19.370 -9.099  -2.895  1.000 18.849 0 225 VAL   A CA   1 ? 
ATOM   1859 C  C    . VAL   A 1 113 ? -19.167 -10.475 -2.262  1.000 19.493 0 225 VAL   A C    1 ? 
ATOM   1860 O  O    . VAL   A 1 113 ? -18.733 -10.573 -1.116  1.000 19.696 0 225 VAL   A O    1 ? 
ATOM   1861 C  CB   . VAL   A 1 113 ? -18.034 -8.362  -3.111  1.000 19.024 0 225 VAL   A CB   1 ? 
ATOM   1862 C  CG1  . VAL   A 1 113 ? -17.016 -9.225  -3.843  1.000 19.056 0 225 VAL   A CG1  1 ? 
ATOM   1863 C  CG2  . VAL   A 1 113 ? -18.238 -7.040  -3.842  1.000 19.254 0 225 VAL   A CG2  1 ? 
ATOM   1864 H  H    . VAL   A 1 113 ? -19.877 -7.709  -1.472  1.000 18.608 0 225 VAL   A H    1 c 
ATOM   1865 H  HA   . VAL   A 1 113 ? -19.808 -9.211  -3.761  1.000 18.926 0 225 VAL   A HA   1 c 
ATOM   1866 H  HB   . VAL   A 1 113 ? -17.668 -8.159  -2.218  1.000 19.049 0 225 VAL   A HB   1 c 
ATOM   1867 H  HG11 . VAL   A 1 113 ? -17.396 -9.533  -4.684  1.000 19.048 0 225 VAL   A HG11 1 c 
ATOM   1868 H  HG12 . VAL   A 1 113 ? -16.781 -9.992  -3.294  1.000 19.053 0 225 VAL   A HG12 1 c 
ATOM   1869 H  HG13 . VAL   A 1 113 ? -16.217 -8.701  -4.023  1.000 19.071 0 225 VAL   A HG13 1 c 
ATOM   1870 H  HG21 . VAL   A 1 113 ? -17.378 -6.606  -3.975  1.000 19.195 0 225 VAL   A HG21 1 c 
ATOM   1871 H  HG22 . VAL   A 1 113 ? -18.813 -6.461  -3.314  1.000 19.186 0 225 VAL   A HG22 1 c 
ATOM   1872 H  HG23 . VAL   A 1 113 ? -18.653 -7.206  -4.705  1.000 19.198 0 225 VAL   A HG23 1 c 
ATOM   1873 N  N    . LYS   A 1 114 ? -19.488 -11.528 -3.024  1.000 20.044 0 226 LYS   A N    1 ? 
ATOM   1874 C  CA   . LYS   A 1 114 ? -19.543 -12.885 -2.503  1.000 20.893 0 226 LYS   A CA   1 ? 
ATOM   1875 C  C    . LYS   A 1 114 ? -18.187 -13.582 -2.623  1.000 21.198 0 226 LYS   A C    1 ? 
ATOM   1876 O  O    . LYS   A 1 114 ? -17.872 -14.454 -1.816  1.000 21.675 0 226 LYS   A O    1 ? 
ATOM   1877 C  CB   . LYS   A 1 114 ? -20.639 -13.662 -3.243  1.000 21.756 0 226 LYS   A CB   1 ? 
ATOM   1878 C  CG   . LYS   A 1 114 ? -22.003 -12.982 -3.299  1.000 22.416 0 226 LYS   A CG   1 ? 
ATOM   1879 C  CD   . LYS   A 1 114 ? -22.535 -12.510 -1.952  1.000 22.783 0 226 LYS   A CD   1 ? 
ATOM   1880 C  CE   . LYS   A 1 114 ? -23.946 -12.022 -2.017  1.000 22.976 0 226 LYS   A CE   1 ? 
ATOM   1881 N  NZ   . LYS   A 1 114 ? -24.415 -11.572 -0.703  1.000 23.222 0 226 LYS   A NZ   1 ? 
ATOM   1882 H  H    . LYS   A 1 114 ? -19.680 -11.393 -3.908  1.000 20.082 0 226 LYS   A H    1 c 
ATOM   1883 H  HA   . LYS   A 1 114 ? -19.787 -12.840 -1.543  1.000 20.925 0 226 LYS   A HA   1 c 
ATOM   1884 H  HB2  . LYS   A 1 114 ? -20.338 -13.823 -4.162  1.000 21.710 0 226 LYS   A HB2  1 c 
ATOM   1885 H  HB3  . LYS   A 1 114 ? -20.746 -14.534 -2.810  1.000 21.717 0 226 LYS   A HB3  1 c 
ATOM   1886 H  HG2  . LYS   A 1 114 ? -21.940 -12.210 -3.903  1.000 22.353 0 226 LYS   A HG2  1 c 
ATOM   1887 H  HG3  . LYS   A 1 114 ? -22.646 -13.612 -3.690  1.000 22.378 0 226 LYS   A HG3  1 c 
ATOM   1888 H  HD2  . LYS   A 1 114 ? -22.487 -13.254 -1.315  1.000 22.728 0 226 LYS   A HD2  1 c 
ATOM   1889 H  HD3  . LYS   A 1 114 ? -21.962 -11.787 -1.616  1.000 22.754 0 226 LYS   A HD3  1 c 
ATOM   1890 H  HE2  . LYS   A 1 114 ? -24.006 -11.281 -2.646  1.000 22.999 0 226 LYS   A HE2  1 c 
ATOM   1891 H  HE3  . LYS   A 1 114 ? -24.525 -12.738 -2.332  1.000 22.976 0 226 LYS   A HE3  1 c 
ATOM   1892 H  HZ1  . LYS   A 1 114 ? -23.902 -10.883 -0.413  1.000 23.154 0 226 LYS   A HZ1  1 c 
ATOM   1893 H  HZ2  . LYS   A 1 114 ? -24.359 -12.253 -0.111  1.000 23.177 0 226 LYS   A HZ2  1 c 
ATOM   1894 H  HZ3  . LYS   A 1 114 ? -25.276 -11.298 -0.762  1.000 23.154 0 226 LYS   A HZ3  1 c 
ATOM   1895 N  N    . LYS   A 1 115 ? -17.384 -13.194 -3.622  1.000 21.066 0 227 LYS   A N    1 ? 
ATOM   1896 C  CA   . LYS   A 1 115 ? -16.137 -13.884 -3.924  1.000 21.052 0 227 LYS   A CA   1 ? 
ATOM   1897 C  C    . LYS   A 1 115 ? -15.015 -13.385 -3.015  1.000 19.496 0 227 LYS   A C    1 ? 
ATOM   1898 O  O    . LYS   A 1 115 ? -14.151 -12.625 -3.454  1.000 19.244 0 227 LYS   A O    1 ? 
ATOM   1899 C  CB   . LYS   A 1 115 ? -15.772 -13.692 -5.400  1.000 22.904 0 227 LYS   A CB   1 ? 
ATOM   1900 C  CG   . LYS   A 1 115 ? -16.646 -14.463 -6.372  1.000 24.427 0 227 LYS   A CG   1 ? 
ATOM   1901 C  CD   . LYS   A 1 115 ? -16.255 -14.303 -7.836  1.000 25.619 0 227 LYS   A CD   1 ? 
ATOM   1902 C  CE   . LYS   A 1 115 ? -17.020 -15.246 -8.710  1.000 26.587 0 227 LYS   A CE   1 ? 
ATOM   1903 N  NZ   . LYS   A 1 115 ? -17.027 -14.836 -10.117 1.000 27.383 0 227 LYS   A NZ   1 ? 
ATOM   1904 H  H    . LYS   A 1 115 ? -17.622 -12.478 -4.137  1.000 21.068 0 227 LYS   A H    1 c 
ATOM   1905 H  HA   . LYS   A 1 115 ? -16.268 -14.852 -3.760  1.000 21.057 0 227 LYS   A HA   1 c 
ATOM   1906 H  HB2  . LYS   A 1 115 ? -15.830 -12.738 -5.619  1.000 22.772 0 227 LYS   A HB2  1 c 
ATOM   1907 H  HB3  . LYS   A 1 115 ? -14.842 -13.973 -5.535  1.000 22.787 0 227 LYS   A HB3  1 c 
ATOM   1908 H  HG2  . LYS   A 1 115 ? -16.609 -15.415 -6.135  1.000 24.347 0 227 LYS   A HG2  1 c 
ATOM   1909 H  HG3  . LYS   A 1 115 ? -17.574 -14.163 -6.258  1.000 24.344 0 227 LYS   A HG3  1 c 
ATOM   1910 H  HD2  . LYS   A 1 115 ? -16.434 -13.381 -8.120  1.000 25.556 0 227 LYS   A HD2  1 c 
ATOM   1911 H  HD3  . LYS   A 1 115 ? -15.295 -14.478 -7.936  1.000 25.530 0 227 LYS   A HD3  1 c 
ATOM   1912 H  HE2  . LYS   A 1 115 ? -16.624 -16.133 -8.643  1.000 26.546 0 227 LYS   A HE2  1 c 
ATOM   1913 H  HE3  . LYS   A 1 115 ? -17.939 -15.301 -8.393  1.000 26.570 0 227 LYS   A HE3  1 c 
ATOM   1914 H  HZ1  . LYS   A 1 115 ? -16.176 -14.776 -10.423 1.000 27.204 0 227 LYS   A HZ1  1 c 
ATOM   1915 H  HZ2  . LYS   A 1 115 ? -17.431 -14.030 -10.199 1.000 27.213 0 227 LYS   A HZ2  1 c 
ATOM   1916 H  HZ3  . LYS   A 1 115 ? -17.478 -15.447 -10.612 1.000 27.210 0 227 LYS   A HZ3  1 c 
ATOM   1917 N  N    . LEU   A 1 116 ? -15.013 -13.854 -1.760  1.000 18.850 0 228 LEU   A N    1 ? 
ATOM   1918 C  CA   . LEU   A 1 116 ? -14.044 -13.418 -0.764  1.000 18.569 0 228 LEU   A CA   1 ? 
ATOM   1919 C  C    . LEU   A 1 116 ? -12.619 -13.688 -1.248  1.000 18.813 0 228 LEU   A C    1 ? 
ATOM   1920 O  O    . LEU   A 1 116 ? -11.726 -12.891 -0.974  1.000 18.481 0 228 LEU   A O    1 ? 
ATOM   1921 C  CB   . LEU   A 1 116 ? -14.273 -14.060 0.606   1.000 18.580 0 228 LEU   A CB   1 ? 
ATOM   1922 C  CG   . LEU   A 1 116 ? -15.616 -13.788 1.286   1.000 18.736 0 228 LEU   A CG   1 ? 
ATOM   1923 C  CD1  . LEU   A 1 116 ? -15.590 -14.403 2.672   1.000 18.686 0 228 LEU   A CD1  1 ? 
ATOM   1924 C  CD2  . LEU   A 1 116 ? -15.947 -12.312 1.363   1.000 18.998 0 228 LEU   A CD2  1 ? 
ATOM   1925 H  H    . LEU   A 1 116 ? -15.642 -14.471 -1.517  1.000 18.904 0 228 LEU   A H    1 c 
ATOM   1926 H  HA   . LEU   A 1 116 ? -14.140 -12.437 -0.669  1.000 18.621 0 228 LEU   A HA   1 c 
ATOM   1927 H  HB2  . LEU   A 1 116 ? -14.171 -15.035 0.505   1.000 18.623 0 228 LEU   A HB2  1 c 
ATOM   1928 H  HB3  . LEU   A 1 116 ? -13.555 -13.757 1.209   1.000 18.586 0 228 LEU   A HB3  1 c 
ATOM   1929 H  HG   . LEU   A 1 116 ? -16.327 -14.238 0.761   1.000 18.733 0 228 LEU   A HG   1 c 
ATOM   1930 H  HD11 . LEU   A 1 116 ? -15.437 -15.360 2.601   1.000 18.736 0 228 LEU   A HD11 1 c 
ATOM   1931 H  HD12 . LEU   A 1 116 ? -16.441 -14.244 3.115   1.000 18.680 0 228 LEU   A HD12 1 c 
ATOM   1932 H  HD13 . LEU   A 1 116 ? -14.875 -14.000 3.193   1.000 18.692 0 228 LEU   A HD13 1 c 
ATOM   1933 H  HD21 . LEU   A 1 116 ? -16.072 -11.959 0.466   1.000 18.931 0 228 LEU   A HD21 1 c 
ATOM   1934 H  HD22 . LEU   A 1 116 ? -15.220 -11.838 1.799   1.000 18.964 0 228 LEU   A HD22 1 c 
ATOM   1935 H  HD23 . LEU   A 1 116 ? -16.765 -12.190 1.874   1.000 18.949 0 228 LEU   A HD23 1 c 
ATOM   1936 N  N    . ASN   A 1 117 ? -12.410 -14.794 -1.977  1.000 19.393 0 229 ASN   A N    1 ? 
ATOM   1937 C  CA   . ASN   A 1 117 ? -11.064 -15.191 -2.367  1.000 20.493 0 229 ASN   A CA   1 ? 
ATOM   1938 C  C    . ASN   A 1 117 ? -10.563 -14.376 -3.562  1.000 20.125 0 229 ASN   A C    1 ? 
ATOM   1939 O  O    . ASN   A 1 117 ? -9.488  -14.671 -4.084  1.000 20.810 0 229 ASN   A O    1 ? 
ATOM   1940 C  CB   . ASN   A 1 117 ? -10.956 -16.695 -2.608  1.000 22.277 0 229 ASN   A CB   1 ? 
ATOM   1941 C  CG   . ASN   A 1 117 ? -11.724 -17.177 -3.816  1.000 23.998 0 229 ASN   A CG   1 ? 
ATOM   1942 O  OD1  . ASN   A 1 117 ? -12.577 -16.463 -4.351  1.000 25.561 0 229 ASN   A OD1  1 ? 
ATOM   1943 N  ND2  . ASN   A 1 117 ? -11.452 -18.403 -4.243  1.000 25.702 0 229 ASN   A ND2  1 ? 
ATOM   1944 H  H    . ASN   A 1 117 ? -13.116 -15.318 -2.225  1.000 19.433 0 229 ASN   A H    1 c 
ATOM   1945 H  HA   . ASN   A 1 117 ? -10.471 -14.989 -1.609  1.000 20.461 0 229 ASN   A HA   1 c 
ATOM   1946 H  HB2  . ASN   A 1 117 ? -10.013 -16.929 -2.720  1.000 22.191 0 229 ASN   A HB2  1 c 
ATOM   1947 H  HB3  . ASN   A 1 117 ? -11.287 -17.165 -1.817  1.000 22.185 0 229 ASN   A HB3  1 c 
ATOM   1948 H  HD21 . ASN   A 1 117 ? -10.841 -18.893 -3.828  1.000 25.220 0 229 ASN   A HD21 1 c 
ATOM   1949 H  HD22 . ASN   A 1 117 ? -11.884 -18.732 -4.944  1.000 25.238 0 229 ASN   A HD22 1 c 
ATOM   1950 N  N    . GLU   A 1 118 ? -11.324 -13.355 -3.986  1.000 19.492 0 230 GLU   A N    1 ? 
ATOM   1951 C  CA   . GLU   A 1 118 ? -10.880 -12.428 -5.019  1.000 18.722 0 230 GLU   A CA   1 ? 
ATOM   1952 C  C    . GLU   A 1 118 ? -10.751 -11.002 -4.479  1.000 17.331 0 230 GLU   A C    1 ? 
ATOM   1953 O  O    . GLU   A 1 118 ? -10.426 -10.097 -5.248  1.000 16.526 0 230 GLU   A O    1 ? 
ATOM   1954 C  CB   . GLU   A 1 118 ? -11.830 -12.466 -6.219  1.000 19.690 0 230 GLU   A CB   1 ? 
ATOM   1955 C  CG   . GLU   A 1 118 ? -11.823 -13.808 -6.948  1.000 21.012 0 230 GLU   A CG   1 ? 
ATOM   1956 C  CD   . GLU   A 1 118 ? -12.575 -13.856 -8.268  1.000 22.344 0 230 GLU   A CD   1 ? 
ATOM   1957 O  OE1  . GLU   A 1 118 ? -13.191 -12.846 -8.668  1.000 23.074 0 230 GLU   A OE1  1 ? 
ATOM   1958 O  OE2  . GLU   A 1 118 ? -12.539 -14.932 -8.904  1.000 24.483 0 230 GLU   A OE2  1 ? 
ATOM   1959 H  H    . GLU   A 1 118 ? -12.164 -13.250 -3.643  1.000 19.468 0 230 GLU   A H    1 c 
ATOM   1960 H  HA   . GLU   A 1 118 ? -9.987  -12.718 -5.333  1.000 18.745 0 230 GLU   A HA   1 c 
ATOM   1961 H  HB2  . GLU   A 1 118 ? -12.740 -12.280 -5.906  1.000 19.712 0 230 GLU   A HB2  1 c 
ATOM   1962 H  HB3  . GLU   A 1 118 ? -11.579 -11.757 -6.846  1.000 19.703 0 230 GLU   A HB3  1 c 
ATOM   1963 H  HG2  . GLU   A 1 118 ? -10.892 -14.067 -7.118  1.000 20.998 0 230 GLU   A HG2  1 c 
ATOM   1964 H  HG3  . GLU   A 1 118 ? -12.206 -14.488 -6.354  1.000 20.976 0 230 GLU   A HG3  1 c 
ATOM   1965 N  N    . ILE   A 1 119 ? -10.988 -10.804 -3.172  1.000 16.588 0 231 ILE   A N    1 ? 
ATOM   1966 C  CA   . ILE   A 1 119 ? -10.801 -9.508  -2.529  1.000 16.296 0 231 ILE   A CA   1 ? 
ATOM   1967 C  C    . ILE   A 1 119 ? -9.335  -9.406  -2.108  1.000 16.564 0 231 ILE   A C    1 ? 
ATOM   1968 O  O    . ILE   A 1 119 ? -8.982  -9.701  -0.967  1.000 17.323 0 231 ILE   A O    1 ? 
ATOM   1969 C  CB   . ILE   A 1 119 ? -11.778 -9.320  -1.348  1.000 16.337 0 231 ILE   A CB   1 ? 
ATOM   1970 C  CG1  . ILE   A 1 119 ? -13.235 -9.492  -1.797  1.000 16.244 0 231 ILE   A CG1  1 ? 
ATOM   1971 C  CG2  . ILE   A 1 119 ? -11.573 -7.974  -0.648  1.000 16.024 0 231 ILE   A CG2  1 ? 
ATOM   1972 C  CD1  . ILE   A 1 119 ? -14.254 -9.486  -0.670  1.000 16.527 0 231 ILE   A CD1  1 ? 
ATOM   1973 H  H    . ILE   A 1 119 ? -11.275 -11.504 -2.659  1.000 16.716 0 231 ILE   A H    1 c 
ATOM   1974 H  HA   . ILE   A 1 119 ? -10.984 -8.812  -3.186  1.000 16.399 0 231 ILE   A HA   1 c 
ATOM   1975 H  HB   . ILE   A 1 119 ? -11.589 -10.024 -0.696  1.000 16.273 0 231 ILE   A HB   1 c 
ATOM   1976 H  HG12 . ILE   A 1 119 ? -13.456 -8.770  -2.420  1.000 16.308 0 231 ILE   A HG12 1 c 
ATOM   1977 H  HG13 . ILE   A 1 119 ? -13.315 -10.338 -2.282  1.000 16.316 0 231 ILE   A HG13 1 c 
ATOM   1978 H  HG21 . ILE   A 1 119 ? -12.189 -7.896  0.100   1.000 16.088 0 231 ILE   A HG21 1 c 
ATOM   1979 H  HG22 . ILE   A 1 119 ? -11.739 -7.251  -1.277  1.000 16.093 0 231 ILE   A HG22 1 c 
ATOM   1980 H  HG23 . ILE   A 1 119 ? -10.662 -7.909  -0.318  1.000 16.063 0 231 ILE   A HG23 1 c 
ATOM   1981 H  HD11 . ILE   A 1 119 ? -14.016 -10.166 -0.012  1.000 16.470 0 231 ILE   A HD11 1 c 
ATOM   1982 H  HD12 . ILE   A 1 119 ? -15.138 -9.684  -1.033  1.000 16.475 0 231 ILE   A HD12 1 c 
ATOM   1983 H  HD13 . ILE   A 1 119 ? -14.272 -8.611  -0.238  1.000 16.460 0 231 ILE   A HD13 1 c 
ATOM   1984 N  N    . SER   A 1 120 ? -8.487  -8.967  -3.046  1.000 16.182 0 232 SER   A N    1 ? 
ATOM   1985 C  CA   . SER   A 1 120 ? -7.064  -9.266  -2.986  1.000 16.739 0 232 SER   A CA   1 ? 
ATOM   1986 C  C    . SER   A 1 120 ? -6.201  -8.042  -2.668  1.000 16.915 0 232 SER   A C    1 ? 
ATOM   1987 O  O    . SER   A 1 120 ? -4.974  -8.138  -2.711  1.000 17.279 0 232 SER   A O    1 ? 
ATOM   1988 C  CB   . SER   A 1 120 ? -6.615  -9.918  -4.274  1.000 17.403 0 232 SER   A CB   1 ? 
ATOM   1989 O  OG   . SER   A 1 120 ? -7.386  -11.082 -4.540  1.000 18.367 0 232 SER   A OG   1 ? 
ATOM   1990 H  H    . SER   A 1 120 ? -8.803  -8.466  -3.742  1.000 16.345 0 232 SER   A H    1 c 
ATOM   1991 H  HA   . SER   A 1 120 ? -6.929  -9.920  -2.259  1.000 16.800 0 232 SER   A HA   1 c 
ATOM   1992 H  HB2  . SER   A 1 120 ? -6.716  -9.285  -5.010  1.000 17.440 0 232 SER   A HB2  1 c 
ATOM   1993 H  HB3  . SER   A 1 120 ? -5.673  -10.161 -4.204  1.000 17.440 0 232 SER   A HB3  1 c 
ATOM   1994 H  HG   . SER   A 1 120 ? -7.125  -11.435 -5.270  0.000 19.844 0 232 SER   A HG   1 c 
ATOM   1995 N  N    . LYS   A 1 121 ? -6.820  -6.905  -2.325  1.000 16.762 0 233 LYS   A N    1 ? 
ATOM   1996 C  CA   . LYS   A 1 121 ? -6.086  -5.696  -1.982  1.000 17.009 0 233 LYS   A CA   1 ? 
ATOM   1997 C  C    . LYS   A 1 121 ? -6.859  -4.908  -0.928  1.000 16.211 0 233 LYS   A C    1 ? 
ATOM   1998 O  O    . LYS   A 1 121 ? -8.085  -4.842  -0.993  1.000 15.688 0 233 LYS   A O    1 ? 
ATOM   1999 C  CB   . LYS   A 1 121 ? -5.886  -4.817  -3.223  1.000 18.182 0 233 LYS   A CB   1 ? 
ATOM   2000 C  CG   . LYS   A 1 121 ? -4.813  -5.301  -4.188  1.000 19.153 0 233 LYS   A CG   1 ? 
ATOM   2001 C  CD   . LYS   A 1 121 ? -4.545  -4.346  -5.346  1.000 20.241 0 233 LYS   A CD   1 ? 
ATOM   2002 H  H    . LYS   A 1 121 ? -7.733  -6.882  -2.304  1.000 16.814 0 233 LYS   A H    1 c 
ATOM   2003 H  HA   . LYS   A 1 121 ? -5.203  -5.953  -1.611  1.000 16.986 0 233 LYS   A HA   1 c 
ATOM   2004 H  HB2  . LYS   A 1 121 ? -6.737  -4.765  -3.708  1.000 18.110 0 233 LYS   A HB2  1 c 
ATOM   2005 H  HB3  . LYS   A 1 121 ? -5.654  -3.910  -2.932  1.000 18.089 0 233 LYS   A HB3  1 c 
ATOM   2006 H  HG2  . LYS   A 1 121 ? -3.980  -5.435  -3.686  1.000 19.153 0 233 LYS   A HG2  1 c 
ATOM   2007 H  HG3  . LYS   A 1 121 ? -5.089  -6.171  -4.550  1.000 19.153 0 233 LYS   A HG3  1 c 
ATOM   2008 H  HD2  . LYS   A 1 121 ? -5.374  -4.222  -5.857  1.000 19.968 0 233 LYS   A HD2  1 c 
ATOM   2009 H  HD3  . LYS   A 1 121 ? -4.305  -3.462  -5.016  0.000 24.908 0 233 LYS   A HD3  1 c 
ATOM   2010 N  N    . LEU   A 1 122 ? -6.129  -4.335  0.040   1.000 16.660 0 234 LEU   A N    1 ? 
ATOM   2011 C  CA   . LEU   A 1 122 ? -6.670  -3.386  1.002   1.000 17.112 0 234 LEU   A CA   1 ? 
ATOM   2012 C  C    . LEU   A 1 122 ? -5.955  -2.048  0.830   1.000 17.463 0 234 LEU   A C    1 ? 
ATOM   2013 O  O    . LEU   A 1 122 ? -4.763  -1.949  1.110   1.000 18.108 0 234 LEU   A O    1 ? 
ATOM   2014 C  CB   . LEU   A 1 122 ? -6.519  -3.896  2.435   1.000 17.744 0 234 LEU   A CB   1 ? 
ATOM   2015 C  CG   . LEU   A 1 122 ? -6.840  -2.892  3.549   1.000 18.244 0 234 LEU   A CG   1 ? 
ATOM   2016 C  CD1  . LEU   A 1 122 ? -8.272  -2.394  3.436   1.000 18.136 0 234 LEU   A CD1  1 ? 
ATOM   2017 C  CD2  . LEU   A 1 122 ? -6.603  -3.486  4.926   1.000 19.058 0 234 LEU   A CD2  1 ? 
ATOM   2018 H  H    . LEU   A 1 122 ? -5.243  -4.550  0.102   1.000 16.632 0 234 LEU   A H    1 c 
ATOM   2019 H  HA   . LEU   A 1 122 ? -7.632  -3.259  0.807   1.000 17.158 0 234 LEU   A HA   1 c 
ATOM   2020 H  HB2  . LEU   A 1 122 ? -7.106  -4.679  2.546   1.000 17.729 0 234 LEU   A HB2  1 c 
ATOM   2021 H  HB3  . LEU   A 1 122 ? -5.591  -4.204  2.554   1.000 17.726 0 234 LEU   A HB3  1 c 
ATOM   2022 H  HG   . LEU   A 1 122 ? -6.236  -2.112  3.449   1.000 18.272 0 234 LEU   A HG   1 c 
ATOM   2023 H  HD11 . LEU   A 1 122 ? -8.385  -1.911  2.601   1.000 18.143 0 234 LEU   A HD11 1 c 
ATOM   2024 H  HD12 . LEU   A 1 122 ? -8.468  -1.802  4.181   1.000 18.152 0 234 LEU   A HD12 1 c 
ATOM   2025 H  HD13 . LEU   A 1 122 ? -8.882  -3.151  3.457   1.000 18.151 0 234 LEU   A HD13 1 c 
ATOM   2026 H  HD21 . LEU   A 1 122 ? -5.670  -3.745  5.012   1.000 18.939 0 234 LEU   A HD21 1 c 
ATOM   2027 H  HD22 . LEU   A 1 122 ? -7.168  -4.268  5.043   1.000 18.917 0 234 LEU   A HD22 1 c 
ATOM   2028 H  HD23 . LEU   A 1 122 ? -6.819  -2.826  5.606   1.000 18.880 0 234 LEU   A HD23 1 c 
ATOM   2029 N  N    . GLY   A 1 123 ? -6.690  -1.031  0.369   1.000 16.911 0 235 GLY   A N    1 ? 
ATOM   2030 C  CA   . GLY   A 1 123 ? -6.175  0.328   0.303   1.000 16.751 0 235 GLY   A CA   1 ? 
ATOM   2031 C  C    . GLY   A 1 123 ? -6.434  1.070   1.612   1.000 16.777 0 235 GLY   A C    1 ? 
ATOM   2032 O  O    . GLY   A 1 123 ? -7.530  0.978   2.166   1.000 17.085 0 235 GLY   A O    1 ? 
ATOM   2033 H  H    . GLY   A 1 123 ? -7.543  -1.190  0.082   1.000 16.913 0 235 GLY   A H    1 c 
ATOM   2034 H  HA2  . GLY   A 1 123 ? -5.207  0.303   0.117   1.000 16.785 0 235 GLY   A HA2  1 c 
ATOM   2035 H  HA3  . GLY   A 1 123 ? -6.615  0.804   -0.440  1.000 16.794 0 235 GLY   A HA3  1 c 
ATOM   2036 N  N    . ILE   A 1 124 ? -5.417  1.795   2.091   1.000 17.103 0 236 ILE   A N    1 ? 
ATOM   2037 C  CA   . ILE   A 1 124 ? -5.496  2.594   3.304   1.000 17.082 0 236 ILE   A CA   1 ? 
ATOM   2038 C  C    . ILE   A 1 124 ? -5.130  4.027   2.934   1.000 17.369 0 236 ILE   A C    1 ? 
ATOM   2039 O  O    . ILE   A 1 124 ? -4.036  4.264   2.425   1.000 17.453 0 236 ILE   A O    1 ? 
ATOM   2040 C  CB   . ILE   A 1 124 ? -4.553  2.036   4.390   1.000 17.911 0 236 ILE   A CB   1 ? 
ATOM   2041 C  CG1  . ILE   A 1 124 ? -4.830  0.556   4.668   1.000 18.757 0 236 ILE   A CG1  1 ? 
ATOM   2042 C  CG2  . ILE   A 1 124 ? -4.629  2.873   5.668   1.000 18.119 0 236 ILE   A CG2  1 ? 
ATOM   2043 C  CD1  . ILE   A 1 124 ? -3.765  -0.134  5.496   1.000 19.193 0 236 ILE   A CD1  1 ? 
ATOM   2044 H  H    . ILE   A 1 124 ? -4.626  1.789   1.633   1.000 17.070 0 236 ILE   A H    1 c 
ATOM   2045 H  HA   . ILE   A 1 124 ? -6.412  2.574   3.641   1.000 17.198 0 236 ILE   A HA   1 c 
ATOM   2046 H  HB   . ILE   A 1 124 ? -3.640  2.103   4.047   1.000 17.920 0 236 ILE   A HB   1 c 
ATOM   2047 H  HG12 . ILE   A 1 124 ? -5.687  0.481   5.136   1.000 18.709 0 236 ILE   A HG12 1 c 
ATOM   2048 H  HG13 . ILE   A 1 124 ? -4.915  0.085   3.815   1.000 18.648 0 236 ILE   A HG13 1 c 
ATOM   2049 H  HG21 . ILE   A 1 124 ? -4.034  2.500   6.339   1.000 18.094 0 236 ILE   A HG21 1 c 
ATOM   2050 H  HG22 . ILE   A 1 124 ? -5.540  2.866   6.008   1.000 18.099 0 236 ILE   A HG22 1 c 
ATOM   2051 H  HG23 . ILE   A 1 124 ? -4.364  3.788   5.478   1.000 18.061 0 236 ILE   A HG23 1 c 
ATOM   2052 H  HD11 . ILE   A 1 124 ? -2.896  -0.021  5.068   1.000 19.114 0 236 ILE   A HD11 1 c 
ATOM   2053 H  HD12 . ILE   A 1 124 ? -3.971  -1.086  5.562   1.000 19.117 0 236 ILE   A HD12 1 c 
ATOM   2054 H  HD13 . ILE   A 1 124 ? -3.738  0.253   6.391   1.000 19.101 0 236 ILE   A HD13 1 c 
ATOM   2055 N  N    . SER   A 1 125 ? -6.039  4.973   3.199   1.000 17.306 0 237 SER   A N    1 ? 
ATOM   2056 C  CA   . SER   A 1 125 ? -5.846  6.358   2.797   1.000 18.071 0 237 SER   A CA   1 ? 
ATOM   2057 C  C    . SER   A 1 125 ? -6.492  7.310   3.801   1.000 18.077 0 237 SER   A C    1 ? 
ATOM   2058 O  O    . SER   A 1 125 ? -7.216  6.885   4.700   1.000 17.701 0 237 SER   A O    1 ? 
ATOM   2059 C  CB   . SER   A 1 125 ? -6.378  6.600   1.401   1.000 19.041 0 237 SER   A CB   1 ? 
ATOM   2060 O  OG   . SER   A 1 125 ? -7.774  6.348   1.315   1.000 20.163 0 237 SER   A OG   1 ? 
ATOM   2061 H  H    . SER   A 1 125 ? -6.804  4.748   3.646   1.000 17.411 0 237 SER   A H    1 c 
ATOM   2062 H  HA   . SER   A 1 125 ? -4.873  6.543   2.791   1.000 18.066 0 237 SER   A HA   1 c 
ATOM   2063 H  HB2  . SER   A 1 125 ? -6.201  7.525   1.146   1.000 18.993 0 237 SER   A HB2  1 c 
ATOM   2064 H  HB3  . SER   A 1 125 ? -5.906  6.019   0.774   1.000 19.032 0 237 SER   A HB3  1 c 
ATOM   2065 H  HG   . SER   A 1 125 ? -8.025  6.494   0.518   0.000 22.332 0 237 SER   A HG   1 c 
ATOM   2066 N  N    . GLY   A 1 126 ? -6.184  8.604   3.649   1.000 18.402 0 238 GLY   A N    1 ? 
ATOM   2067 C  CA   . GLY   A 1 126 ? -6.794  9.645   4.458   1.000 18.554 0 238 GLY   A CA   1 ? 
ATOM   2068 C  C    . GLY   A 1 126 ? -5.842  10.177  5.524   1.000 18.605 0 238 GLY   A C    1 ? 
ATOM   2069 O  O    . GLY   A 1 126 ? -4.626  10.032  5.418   1.000 18.630 0 238 GLY   A O    1 ? 
ATOM   2070 H  H    . GLY   A 1 126 ? -5.569  8.844   3.017   1.000 18.332 0 238 GLY   A H    1 c 
ATOM   2071 H  HA2  . GLY   A 1 126 ? -7.066  10.388  3.872   1.000 18.568 0 238 GLY   A HA2  1 c 
ATOM   2072 H  HA3  . GLY   A 1 126 ? -7.606  9.289   4.889   1.000 18.550 0 238 GLY   A HA3  1 c 
ATOM   2073 N  N    . ASP   A 1 127 ? -6.423  10.793  6.558   1.000 19.331 0 239 ASP   A N    1 ? 
ATOM   2074 C  CA   . ASP   A 1 127 ? -5.690  11.695  7.431   1.000 19.766 0 239 ASP   A CA   1 ? 
ATOM   2075 C  C    . ASP   A 1 127 ? -5.135  10.933  8.628   1.000 19.580 0 239 ASP   A C    1 ? 
ATOM   2076 O  O    . ASP   A 1 127 ? -5.543  11.175  9.762   1.000 19.650 0 239 ASP   A O    1 ? 
ATOM   2077 C  CB   . ASP   A 1 127 ? -6.565  12.881  7.811   1.000 20.649 0 239 ASP   A CB   1 ? 
ATOM   2078 C  CG   . ASP   A 1 127 ? -7.116  13.660  6.626   1.000 21.699 0 239 ASP   A CG   1 ? 
ATOM   2079 O  OD1  . ASP   A 1 127 ? -6.358  13.857  5.656   1.000 23.128 0 239 ASP   A OD1  1 ? 
ATOM   2080 O  OD2  . ASP   A 1 127 ? -8.295  14.070  6.681   1.000 22.303 0 239 ASP   A OD2  1 ? 
ATOM   2081 H  H    . ASP   A 1 127 ? -7.309  10.645  6.725   1.000 19.247 0 239 ASP   A H    1 c 
ATOM   2082 H  HA   . ASP   A 1 127 ? -4.930  12.059  6.924   1.000 19.818 0 239 ASP   A HA   1 c 
ATOM   2083 H  HB2  . ASP   A 1 127 ? -7.322  12.558  8.343   1.000 20.652 0 239 ASP   A HB2  1 c 
ATOM   2084 H  HB3  . ASP   A 1 127 ? -6.042  13.495  8.368   1.000 20.665 0 239 ASP   A HB3  1 c 
ATOM   2085 N  N    . ILE   A 1 128 ? -4.179  10.034  8.353   1.000 19.456 0 240 ILE   A N    1 ? 
ATOM   2086 C  CA   . ILE   A 1 128 ? -3.532  9.240   9.386   1.000 19.452 0 240 ILE   A CA   1 ? 
ATOM   2087 C  C    . ILE   A 1 128 ? -2.028  9.199   9.145   1.000 19.758 0 240 ILE   A C    1 ? 
ATOM   2088 O  O    . ILE   A 1 128 ? -1.558  9.380   8.022   1.000 19.561 0 240 ILE   A O    1 ? 
ATOM   2089 C  CB   . ILE   A 1 128 ? -4.102  7.811   9.444   1.000 19.558 0 240 ILE   A CB   1 ? 
ATOM   2090 C  CG1  . ILE   A 1 128 ? -3.834  7.032   8.153   1.000 19.804 0 240 ILE   A CG1  1 ? 
ATOM   2091 C  CG2  . ILE   A 1 128 ? -5.589  7.834   9.799   1.000 19.726 0 240 ILE   A CG2  1 ? 
ATOM   2092 C  CD1  . ILE   A 1 128 ? -4.029  5.531   8.279   1.000 19.922 0 240 ILE   A CD1  1 ? 
ATOM   2093 H  H    . ILE   A 1 128 ? -3.919  9.915   7.486   1.000 19.479 0 240 ILE   A H    1 c 
ATOM   2094 H  HA   . ILE   A 1 128 ? -3.694  9.668   10.248  1.000 19.530 0 240 ILE   A HA   1 c 
ATOM   2095 H  HB   . ILE   A 1 128 ? -3.637  7.343   10.166  1.000 19.609 0 240 ILE   A HB   1 c 
ATOM   2096 H  HG12 . ILE   A 1 128 ? -4.432  7.368   7.454   1.000 19.771 0 240 ILE   A HG12 1 c 
ATOM   2097 H  HG13 . ILE   A 1 128 ? -2.915  7.202   7.864   1.000 19.764 0 240 ILE   A HG13 1 c 
ATOM   2098 H  HG21 . ILE   A 1 128 ? -5.916  6.925   9.897   1.000 19.710 0 240 ILE   A HG21 1 c 
ATOM   2099 H  HG22 . ILE   A 1 128 ? -6.085  8.280   9.093   1.000 19.693 0 240 ILE   A HG22 1 c 
ATOM   2100 H  HG23 . ILE   A 1 128 ? -5.718  8.314   10.635  1.000 19.698 0 240 ILE   A HG23 1 c 
ATOM   2101 H  HD11 . ILE   A 1 128 ? -3.437  5.183   8.972   1.000 19.901 0 240 ILE   A HD11 1 c 
ATOM   2102 H  HD12 . ILE   A 1 128 ? -3.818  5.102   7.428   1.000 19.891 0 240 ILE   A HD12 1 c 
ATOM   2103 H  HD13 . ILE   A 1 128 ? -4.955  5.337   8.517   1.000 19.906 0 240 ILE   A HD13 1 c 
ATOM   2104 N  N    . ASP   A 1 129 ? -1.304  8.948   10.240  1.000 19.978 0 241 ASP   A N    1 ? 
ATOM   2105 C  CA   . ASP   A 1 129 ? 0.045   8.415   10.194  1.000 20.850 0 241 ASP   A CA   1 ? 
ATOM   2106 C  C    . ASP   A 1 129 ? -0.062  6.909   10.414  1.000 19.888 0 241 ASP   A C    1 ? 
ATOM   2107 O  O    . ASP   A 1 129 ? -0.499  6.476   11.476  1.000 20.796 0 241 ASP   A O    1 ? 
ATOM   2108 C  CB   . ASP   A 1 129 ? 0.933   9.108   11.216  1.000 23.087 0 241 ASP   A CB   1 ? 
ATOM   2109 C  CG   . ASP   A 1 129 ? 1.069   10.613  11.027  1.000 25.736 0 241 ASP   A CG   1 ? 
ATOM   2110 O  OD1  . ASP   A 1 129 ? 1.283   11.037  9.872   1.000 28.122 0 241 ASP   A OD1  1 ? 
ATOM   2111 O  OD2  . ASP   A 1 129 ? 0.961   11.351  12.031  1.000 29.697 0 241 ASP   A OD2  1 ? 
ATOM   2112 H  H    . ASP   A 1 129 ? -1.672  9.121   11.058  1.000 20.085 0 241 ASP   A H    1 c 
ATOM   2113 H  HA   . ASP   A 1 129 ? 0.420   8.583   9.300   1.000 20.822 0 241 ASP   A HA   1 c 
ATOM   2114 H  HB2  . ASP   A 1 129 ? 0.569   8.943   12.112  1.000 23.045 0 241 ASP   A HB2  1 c 
ATOM   2115 H  HB3  . ASP   A 1 129 ? 1.828   8.712   11.177  1.000 23.025 0 241 ASP   A HB3  1 c 
ATOM   2116 N  N    . LEU   A 1 130 ? 0.307   6.129   9.390   1.000 18.782 0 242 LEU   A N    1 ? 
ATOM   2117 C  CA   . LEU   A 1 130 ? 0.146   4.683   9.410   1.000 18.510 0 242 LEU   A CA   1 ? 
ATOM   2118 C  C    . LEU   A 1 130 ? 1.377   4.032   10.038  1.000 18.456 0 242 LEU   A C    1 ? 
ATOM   2119 O  O    . LEU   A 1 130 ? 2.492   4.213   9.548   1.000 19.244 0 242 LEU   A O    1 ? 
ATOM   2120 C  CB   . LEU   A 1 130 ? -0.087  4.187   7.983   1.000 18.385 0 242 LEU   A CB   1 ? 
ATOM   2121 C  CG   . LEU   A 1 130 ? -0.235  2.671   7.803   1.000 18.424 0 242 LEU   A CG   1 ? 
ATOM   2122 C  CD1  . LEU   A 1 130 ? -1.444  2.144   8.555   1.000 18.081 0 242 LEU   A CD1  1 ? 
ATOM   2123 C  CD2  . LEU   A 1 130 ? -0.325  2.294   6.334   1.000 18.041 0 242 LEU   A CD2  1 ? 
ATOM   2124 H  H    . LEU   A 1 130 ? 0.677   6.515   8.649   1.000 18.961 0 242 LEU   A H    1 c 
ATOM   2125 H  HA   . LEU   A 1 130 ? -0.648  4.466   9.961   1.000 18.522 0 242 LEU   A HA   1 c 
ATOM   2126 H  HB2  . LEU   A 1 130 ? -0.902  4.621   7.637   1.000 18.408 0 242 LEU   A HB2  1 c 
ATOM   2127 H  HB3  . LEU   A 1 130 ? 0.666   4.492   7.426   1.000 18.407 0 242 LEU   A HB3  1 c 
ATOM   2128 H  HG   . LEU   A 1 130 ? 0.572   2.235   8.179   1.000 18.315 0 242 LEU   A HG   1 c 
ATOM   2129 H  HD11 . LEU   A 1 130 ? -1.336  2.310   9.505   1.000 18.147 0 242 LEU   A HD11 1 c 
ATOM   2130 H  HD12 . LEU   A 1 130 ? -1.529  1.187   8.403   1.000 18.139 0 242 LEU   A HD12 1 c 
ATOM   2131 H  HD13 . LEU   A 1 130 ? -2.246  2.593   8.238   1.000 18.140 0 242 LEU   A HD13 1 c 
ATOM   2132 H  HD21 . LEU   A 1 130 ? 0.474   2.594   5.870   1.000 18.107 0 242 LEU   A HD21 1 c 
ATOM   2133 H  HD22 . LEU   A 1 130 ? -1.106  2.715   5.937   1.000 18.123 0 242 LEU   A HD22 1 c 
ATOM   2134 H  HD23 . LEU   A 1 130 ? -0.403  1.328   6.251   1.000 18.121 0 242 LEU   A HD23 1 c 
ATOM   2135 N  N    . THR   A 1 131 ? 1.162   3.254   11.108  1.000 18.478 0 243 THR   A N    1 ? 
ATOM   2136 C  CA   . THR   A 1 131 ? 2.239   2.580   11.819  1.000 19.554 0 243 THR   A CA   1 ? 
ATOM   2137 C  C    . THR   A 1 131 ? 2.448   1.181   11.240  1.000 19.309 0 243 THR   A C    1 ? 
ATOM   2138 O  O    . THR   A 1 131 ? 3.582   0.799   10.964  1.000 19.887 0 243 THR   A O    1 ? 
ATOM   2139 C  CB   . THR   A 1 131 ? 1.934   2.540   13.317  1.000 20.987 0 243 THR   A CB   1 ? 
ATOM   2140 O  OG1  . THR   A 1 131 ? 1.818   3.905   13.709  1.000 22.414 0 243 THR   A OG1  1 ? 
ATOM   2141 C  CG2  . THR   A 1 131 ? 3.033   1.881   14.130  1.000 21.561 0 243 THR   A CG2  1 ? 
ATOM   2142 H  H    . THR   A 1 131 ? 0.306   3.138   11.406  1.000 18.583 0 243 THR   A H    1 c 
ATOM   2143 H  HA   . THR   A 1 131 ? 3.064   3.096   11.690  1.000 19.564 0 243 THR   A HA   1 c 
ATOM   2144 H  HB   . THR   A 1 131 ? 1.078   2.076   13.477  1.000 20.999 0 243 THR   A HB   1 c 
ATOM   2145 H  HG1  . THR   A 1 131 ? 2.555   4.332   13.605  0.000 24.090 0 243 THR   A HG1  1 c 
ATOM   2146 H  HG21 . THR   A 1 131 ? 2.821   1.948   15.077  1.000 21.415 0 243 THR   A HG21 1 c 
ATOM   2147 H  HG22 . THR   A 1 131 ? 3.878   2.328   13.957  1.000 21.454 0 243 THR   A HG22 1 c 
ATOM   2148 H  HG23 . THR   A 1 131 ? 3.106   0.944   13.883  1.000 21.443 0 243 THR   A HG23 1 c 
ATOM   2149 N  N    . SER   A 1 132 ? 1.363   0.412   11.074  1.000 19.256 0 244 SER   A N    1 ? 
ATOM   2150 C  CA   . SER   A 1 132 ? 1.466   -0.926  10.511  1.000 19.256 0 244 SER   A CA   1 ? 
ATOM   2151 C  C    . SER   A 1 132 ? 0.124   -1.406  9.966   1.000 18.589 0 244 SER   A C    1 ? 
ATOM   2152 O  O    . SER   A 1 132 ? -0.938  -0.957  10.398  1.000 18.180 0 244 SER   A O    1 ? 
ATOM   2153 C  CB   . SER   A 1 132 ? 2.017   -1.910  11.515  1.000 20.445 0 244 SER   A CB   1 ? 
ATOM   2154 O  OG   . SER   A 1 132 ? 1.172   -2.035  12.648  1.000 21.775 0 244 SER   A OG   1 ? 
ATOM   2155 H  H    . SER   A 1 132 ? 0.541   0.727   11.322  1.000 19.271 0 244 SER   A H    1 c 
ATOM   2156 H  HA   . SER   A 1 132 ? 2.100   -0.882  9.750   1.000 19.319 0 244 SER   A HA   1 c 
ATOM   2157 H  HB2  . SER   A 1 132 ? 2.114   -2.783  11.088  1.000 20.436 0 244 SER   A HB2  1 c 
ATOM   2158 H  HB3  . SER   A 1 132 ? 2.902   -1.616  11.803  1.000 20.379 0 244 SER   A HB3  1 c 
ATOM   2159 H  HG   . SER   A 1 132 ? 1.478   -2.605  13.196  0.000 23.719 0 244 SER   A HG   1 c 
ATOM   2160 N  N    . ALA   A 1 133 ? 0.203   -2.337  9.007   1.000 18.830 0 245 ALA   A N    1 ? 
ATOM   2161 C  CA   . ALA   A 1 133 ? -0.956  -3.015  8.450   1.000 19.001 0 245 ALA   A CA   1 ? 
ATOM   2162 C  C    . ALA   A 1 133 ? -0.581  -4.473  8.201   1.000 19.357 0 245 ALA   A C    1 ? 
ATOM   2163 O  O    . ALA   A 1 133 ? 0.345   -4.744  7.441   1.000 20.301 0 245 ALA   A O    1 ? 
ATOM   2164 C  CB   . ALA   A 1 133 ? -1.403  -2.330  7.176   1.000 19.667 0 245 ALA   A CB   1 ? 
ATOM   2165 H  H    . ALA   A 1 133 ? 1.028   -2.558  8.682   1.000 18.789 0 245 ALA   A H    1 c 
ATOM   2166 H  HA   . ALA   A 1 133 ? -1.694  -2.986  9.117   1.000 19.116 0 245 ALA   A HA   1 c 
ATOM   2167 H  HB1  . ALA   A 1 133 ? -1.639  -1.406  7.367   1.000 19.546 0 245 ALA   A HB1  1 c 
ATOM   2168 H  HB2  . ALA   A 1 133 ? -0.681  -2.348  6.525   1.000 19.537 0 245 ALA   A HB2  1 c 
ATOM   2169 H  HB3  . ALA   A 1 133 ? -2.177  -2.790  6.810   1.000 19.536 0 245 ALA   A HB3  1 c 
ATOM   2170 N  N    . SER   A 1 134 ? -1.285  -5.395  8.868   1.000 19.438 0 246 SER   A N    1 ? 
ATOM   2171 C  CA   . SER   A 1 134 ? -0.942  -6.808  8.827   1.000 20.506 0 246 SER   A CA   1 ? 
ATOM   2172 C  C    . SER   A 1 134 ? -2.185  -7.642  9.112   1.000 20.250 0 246 SER   A C    1 ? 
ATOM   2173 O  O    . SER   A 1 134 ? -3.225  -7.099  9.473   1.000 20.172 0 246 SER   A O    1 ? 
ATOM   2174 C  CB   . SER   A 1 134 ? 0.155   -7.128  9.812   1.000 21.368 0 246 SER   A CB   1 ? 
ATOM   2175 O  OG   . SER   A 1 134 ? -0.258  -6.827  11.139  1.000 22.987 0 246 SER   A OG   1 ? 
ATOM   2176 H  H    . SER   A 1 134 ? -2.004  -5.133  9.368   1.000 19.579 0 246 SER   A H    1 c 
ATOM   2177 H  HA   . SER   A 1 134 ? -0.623  -7.027  7.915   1.000 20.392 0 246 SER   A HA   1 c 
ATOM   2178 H  HB2  . SER   A 1 134 ? 0.382   -8.075  9.749   1.000 21.462 0 246 SER   A HB2  1 c 
ATOM   2179 H  HB3  . SER   A 1 134 ? 0.950   -6.606  9.592   1.000 21.451 0 246 SER   A HB3  1 c 
ATOM   2180 H  HG   . SER   A 1 134 ? 0.359   -7.020  11.693  0.000 25.358 0 246 SER   A HG   1 c 
ATOM   2181 N  N    . TYR   A 1 135 ? -2.066  -8.962  8.948   1.000 21.138 0 247 TYR   A N    1 ? 
ATOM   2182 C  CA   . TYR   A 1 135 ? -3.173  -9.854  9.246   1.000 21.783 0 247 TYR   A CA   1 ? 
ATOM   2183 C  C    . TYR   A 1 135 ? -2.642  -11.158 9.832   1.000 22.081 0 247 TYR   A C    1 ? 
ATOM   2184 O  O    . TYR   A 1 135 ? -1.458  -11.469 9.717   1.000 22.312 0 247 TYR   A O    1 ? 
ATOM   2185 C  CB   . TYR   A 1 135 ? -4.026  -10.092 7.996   1.000 23.007 0 247 TYR   A CB   1 ? 
ATOM   2186 C  CG   . TYR   A 1 135 ? -3.251  -10.571 6.776   1.000 23.599 0 247 TYR   A CG   1 ? 
ATOM   2187 C  CD1  . TYR   A 1 135 ? -2.937  -11.915 6.603   1.000 25.063 0 247 TYR   A CD1  1 ? 
ATOM   2188 C  CD2  . TYR   A 1 135 ? -2.834  -9.679  5.795   1.000 24.232 0 247 TYR   A CD2  1 ? 
ATOM   2189 C  CE1  . TYR   A 1 135 ? -2.231  -12.353 5.494   1.000 26.144 0 247 TYR   A CE1  1 ? 
ATOM   2190 C  CE2  . TYR   A 1 135 ? -2.132  -10.105 4.680   1.000 25.721 0 247 TYR   A CE2  1 ? 
ATOM   2191 C  CZ   . TYR   A 1 135 ? -1.824  -11.446 4.531   1.000 26.489 0 247 TYR   A CZ   1 ? 
ATOM   2192 O  OH   . TYR   A 1 135 ? -1.130  -11.878 3.438   1.000 28.281 0 247 TYR   A OH   1 ? 
ATOM   2193 H  H    . TYR   A 1 135 ? -1.281  -9.314  8.638   1.000 21.013 0 247 TYR   A H    1 c 
ATOM   2194 H  HA   . TYR   A 1 135 ? -3.743  -9.419  9.930   1.000 21.879 0 247 TYR   A HA   1 c 
ATOM   2195 H  HB2  . TYR   A 1 135 ? -4.716  -10.758 8.213   1.000 22.845 0 247 TYR   A HB2  1 c 
ATOM   2196 H  HB3  . TYR   A 1 135 ? -4.485  -9.252  7.769   1.000 22.894 0 247 TYR   A HB3  1 c 
ATOM   2197 H  HD1  . TYR   A 1 135 ? -3.207  -12.541 7.255   1.000 24.956 0 247 TYR   A HD1  1 c 
ATOM   2198 H  HD2  . TYR   A 1 135 ? -3.038  -8.762  5.888   1.000 24.340 0 247 TYR   A HD2  1 c 
ATOM   2199 H  HE1  . TYR   A 1 135 ? -2.025  -13.266 5.396   1.000 26.015 0 247 TYR   A HE1  1 c 
ATOM   2200 H  HE2  . TYR   A 1 135 ? -1.857  -9.483  4.028   1.000 25.578 0 247 TYR   A HE2  1 c 
ATOM   2201 H  HH   . TYR   A 1 135 ? -1.670  -12.095 2.812   0.000 33.143 0 247 TYR   A HH   1 c 
ATOM   2202 N  N    . THR   A 1 136 ? -3.552  -11.892 10.481  1.000 22.773 0 248 THR   A N    1 ? 
ATOM   2203 C  CA   . THR   A 1 136 ? -3.289  -13.219 11.010  1.000 23.985 0 248 THR   A CA   1 ? 
ATOM   2204 C  C    . THR   A 1 136 ? -4.595  -14.010 10.983  1.000 24.281 0 248 THR   A C    1 ? 
ATOM   2205 O  O    . THR   A 1 136 ? -5.658  -13.440 10.742  1.000 23.587 0 248 THR   A O    1 ? 
ATOM   2206 C  CB   . THR   A 1 136 ? -2.712  -13.098 12.421  1.000 25.904 0 248 THR   A CB   1 ? 
ATOM   2207 O  OG1  . THR   A 1 136 ? -2.326  -14.419 12.783  1.000 27.590 0 248 THR   A OG1  1 ? 
ATOM   2208 C  CG2  . THR   A 1 136 ? -3.699  -12.511 13.416  1.000 26.001 0 248 THR   A CG2  1 ? 
ATOM   2209 H  H    . THR   A 1 136 ? -4.386  -11.539 10.603  1.000 22.764 0 248 THR   A H    1 c 
ATOM   2210 H  HA   . THR   A 1 136 ? -2.631  -13.666 10.433  1.000 24.069 0 248 THR   A HA   1 c 
ATOM   2211 H  HB   . THR   A 1 136 ? -1.910  -12.523 12.395  1.000 25.844 0 248 THR   A HB   1 c 
ATOM   2212 H  HG1  . THR   A 1 136 ? -3.027  -14.943 12.871  0.000 32.972 0 248 THR   A HG1  1 c 
ATOM   2213 H  HG21 . THR   A 1 136 ? -3.263  -12.401 14.278  1.000 25.967 0 248 THR   A HG21 1 c 
ATOM   2214 H  HG22 . THR   A 1 136 ? -4.459  -13.109 13.515  1.000 25.976 0 248 THR   A HG22 1 c 
ATOM   2215 H  HG23 . THR   A 1 136 ? -4.008  -11.648 13.098  1.000 25.961 0 248 THR   A HG23 1 c 
ATOM   2216 N  N    . MET   A 1 137 ? -4.497  -15.323 11.217  1.000 25.654 0 249 MET   A N    1 ? 
ATOM   2217 C  CA   . MET   A 1 137 ? -5.662  -16.184 11.334  1.000 26.803 0 249 MET   A CA   1 ? 
ATOM   2218 C  C    . MET   A 1 137 ? -5.912  -16.465 12.813  1.000 28.734 0 249 MET   A C    1 ? 
ATOM   2219 O  O    . MET   A 1 137 ? -5.002  -16.891 13.519  1.000 29.233 0 249 MET   A O    1 ? 
ATOM   2220 C  CB   . MET   A 1 137 ? -5.449  -17.505 10.585  1.000 27.446 0 249 MET   A CB   1 ? 
ATOM   2221 C  CG   . MET   A 1 137 ? -5.138  -17.339 9.109   1.000 27.800 0 249 MET   A CG   1 ? 
ATOM   2222 S  SD   . MET   A 1 137 ? -6.437  -16.478 8.200   1.000 29.403 0 249 MET   A SD   1 ? 
ATOM   2223 C  CE   . MET   A 1 137 ? -5.586  -16.141 6.652   1.000 29.527 0 249 MET   A CE   1 ? 
ATOM   2224 H  H    . MET   A 1 137 ? -3.667  -15.696 11.307  1.000 25.585 0 249 MET   A H    1 c 
ATOM   2225 H  HA   . MET   A 1 137 ? -6.445  -15.712 10.958  1.000 26.911 0 249 MET   A HA   1 c 
ATOM   2226 H  HB2  . MET   A 1 137 ? -4.711  -17.991 11.012  1.000 27.375 0 249 MET   A HB2  1 c 
ATOM   2227 H  HB3  . MET   A 1 137 ? -6.259  -18.051 10.679  1.000 27.404 0 249 MET   A HB3  1 c 
ATOM   2228 H  HG2  . MET   A 1 137 ? -4.304  -16.840 9.010   1.000 27.890 0 249 MET   A HG2  1 c 
ATOM   2229 H  HG3  . MET   A 1 137 ? -5.008  -18.221 8.706   1.000 27.914 0 249 MET   A HG3  1 c 
ATOM   2230 H  HE1  . MET   A 1 137 ? -6.186  -15.665 6.049   1.000 29.485 0 249 MET   A HE1  1 c 
ATOM   2231 H  HE2  . MET   A 1 137 ? -4.799  -15.592 6.828   1.000 29.499 0 249 MET   A HE2  1 c 
ATOM   2232 H  HE3  . MET   A 1 137 ? -5.311  -16.982 6.243   1.000 29.554 0 249 MET   A HE3  1 c 
ATOM   2233 N  N    . ILE   A 1 138 ? -7.147  -16.218 13.270  1.000 29.513 0 250 ILE   A N    1 ? 
ATOM   2234 C  CA   . ILE   A 1 138 ? -7.501  -16.412 14.668  1.000 31.586 0 250 ILE   A CA   1 ? 
ATOM   2235 C  C    . ILE   A 1 138 ? -7.858  -17.892 14.895  1.000 32.624 0 250 ILE   A C    1 ? 
ATOM   2236 O  O    . ILE   A 1 138 ? -7.700  -18.341 16.052  1.000 33.253 0 250 ILE   A O    1 ? 
ATOM   2237 C  CB   . ILE   A 1 138 ? -8.637  -15.465 15.110  1.000 32.184 0 250 ILE   A CB   1 ? 
ATOM   2238 C  CG1  . ILE   A 1 138 ? -9.983  -15.799 14.455  1.000 32.453 0 250 ILE   A CG1  1 ? 
ATOM   2239 C  CG2  . ILE   A 1 138 ? -8.247  -14.004 14.874  1.000 32.462 0 250 ILE   A CG2  1 ? 
ATOM   2240 C  CD1  . ILE   A 1 138 ? -11.183 -15.222 15.184  1.000 32.911 0 250 ILE   A CD1  1 ? 
ATOM   2241 O  OXT  . ILE   A 1 138 ? -8.280  -18.544 13.911  1.000 33.417 0 250 ILE   A OXT  1 ? 
ATOM   2242 H  H    . ILE   A 1 138 ? -7.789  -15.919 12.692  1.000 29.676 0 250 ILE   A H    1 c 
ATOM   2243 H  HA   . ILE   A 1 138 ? -6.715  -16.205 15.210  1.000 31.404 0 250 ILE   A HA   1 c 
ATOM   2244 H  HB   . ILE   A 1 138 ? -8.751  -15.582 16.074  1.000 32.180 0 250 ILE   A HB   1 c 
ATOM   2245 H  HG12 . ILE   A 1 138 ? -9.980  -15.456 13.539  1.000 32.332 0 250 ILE   A HG12 1 c 
ATOM   2246 H  HG13 . ILE   A 1 138 ? -10.084 -16.771 14.409  1.000 32.472 0 250 ILE   A HG13 1 c 
ATOM   2247 H  HG21 . ILE   A 1 138 ? -8.961  -13.422 15.182  1.000 32.391 0 250 ILE   A HG21 1 c 
ATOM   2248 H  HG22 . ILE   A 1 138 ? -8.098  -13.856 13.925  1.000 32.212 0 250 ILE   A HG22 1 c 
ATOM   2249 H  HG23 . ILE   A 1 138 ? -7.433  -13.802 15.363  1.000 32.391 0 250 ILE   A HG23 1 c 
ATOM   2250 H  HD11 . ILE   A 1 138 ? -11.210 -15.574 16.094  1.000 32.800 0 250 ILE   A HD11 1 c 
ATOM   2251 H  HD12 . ILE   A 1 138 ? -12.001 -15.473 14.716  1.000 32.820 0 250 ILE   A HD12 1 c 
ATOM   2252 H  HD13 . ILE   A 1 138 ? -11.115 -14.249 15.216  1.000 32.828 0 250 ILE   A HD13 1 c 
HETATM 2253 N  N1   . A1H2L B 2 .   ? -23.047 8.467   -3.078  1.000 21.705 0 301 A1H2L A N1   1 ? 
HETATM 2254 N  N3   . A1H2L B 2 .   ? -21.551 9.004   -4.427  1.000 22.048 0 301 A1H2L A N3   1 ? 
HETATM 2255 C  C4   . A1H2L B 2 .   ? -19.464 9.127   -3.009  1.000 19.937 0 301 A1H2L A C4   1 ? 
HETATM 2256 C  C5   . A1H2L B 2 .   ? -20.947 8.889   -3.218  1.000 20.796 0 301 A1H2L A C5   1 ? 
HETATM 2257 C  C6   . A1H2L B 2 .   ? -21.946 8.508   -2.335  1.000 21.295 0 301 A1H2L A C6   1 ? 
HETATM 2258 C  C7   . A1H2L B 2 .   ? -24.393 8.062   -2.580  1.000 22.420 0 301 A1H2L A C7   1 ? 
HETATM 2259 C  C8   . A1H2L B 2 .   ? -24.821 8.622   -1.274  1.000 22.800 0 301 A1H2L A C8   1 ? 
HETATM 2260 C  C10  . A1H2L B 2 .   ? -24.510 6.546   -2.630  1.000 22.354 0 301 A1H2L A C10  1 ? 
HETATM 2261 C  C13  . A1H2L B 2 .   ? -17.313 7.214   -0.726  1.000 18.501 0 301 A1H2L A C13  1 ? 
HETATM 2262 C  C15  . A1H2L B 2 .   ? -13.276 8.702   -1.024  1.000 20.852 0 301 A1H2L A C15  1 ? 
HETATM 2263 C  C17  . A1H2L B 2 .   ? -10.901 9.394   -1.182  1.000 22.503 0 301 A1H2L A C17  1 ? 
HETATM 2264 C  C20  . A1H2L B 2 .   ? -10.594 9.224   1.569   1.000 22.758 0 301 A1H2L A C20  1 ? 
HETATM 2265 C  C21  . A1H2L B 2 .   ? -11.817 8.932   0.992   1.000 21.868 0 301 A1H2L A C21  1 ? 
HETATM 2266 C  C22  . A1H2L B 2 .   ? -14.562 8.820   -0.528  1.000 20.452 0 301 A1H2L A C22  1 ? 
HETATM 2267 C  C1   . A1H2L B 2 .   ? -17.241 11.884  -1.927  1.000 21.759 0 301 A1H2L A C1   1 ? 
HETATM 2268 O  O1   . A1H2L B 2 .   ? -17.059 10.532  -2.337  1.000 21.025 0 301 A1H2L A O1   1 ? 
HETATM 2269 C  C2   . A1H2L B 2 .   ? -17.530 9.550   -1.415  1.000 19.945 0 301 A1H2L A C2   1 ? 
HETATM 2270 C  C3   . A1H2L B 2 .   ? -19.053 9.378   -1.551  1.000 19.717 0 301 A1H2L A C3   1 ? 
HETATM 2271 O  O2   . A1H2L B 2 .   ? -25.973 9.237   -1.951  1.000 23.462 0 301 A1H2L A O2   1 ? 
HETATM 2272 C  C9   . A1H2L B 2 .   ? -25.539 8.726   -3.257  1.000 23.258 0 301 A1H2L A C9   1 ? 
HETATM 2273 F  F1   . A1H2L B 2 .   ? -24.357 6.126   -3.926  1.000 22.749 0 301 A1H2L A F1   1 ? 
HETATM 2274 F  F2   . A1H2L B 2 .   ? -23.519 5.992   -1.865  1.000 22.053 0 301 A1H2L A F2   1 ? 
HETATM 2275 N  N2   . A1H2L B 2 .   ? -22.836 8.731   -4.331  1.000 21.661 0 301 A1H2L A N2   1 ? 
HETATM 2276 O  O3   . A1H2L B 2 .   ? -19.485 8.312   -0.703  1.000 18.973 0 301 A1H2L A O3   1 ? 
HETATM 2277 C  C11  . A1H2L B 2 .   ? -18.828 7.051   -0.883  1.000 18.241 0 301 A1H2L A C11  1 ? 
HETATM 2278 C  C12  . A1H2L B 2 .   ? -19.386 6.053   0.121   1.000 18.136 0 301 A1H2L A C12  1 ? 
HETATM 2279 O  O4   . A1H2L B 2 .   ? -20.774 5.849   -0.144  1.000 18.001 0 301 A1H2L A O4   1 ? 
HETATM 2280 O  O5   . A1H2L B 2 .   ? -17.016 7.553   0.631   1.000 18.113 0 301 A1H2L A O5   1 ? 
HETATM 2281 C  C14  . A1H2L B 2 .   ? -16.794 8.289   -1.689  1.000 19.572 0 301 A1H2L A C14  1 ? 
HETATM 2282 N  N4   . A1H2L B 2 .   ? -15.358 8.393   -1.500  1.000 19.905 0 301 A1H2L A N4   1 ? 
HETATM 2283 N  N5   . A1H2L B 2 .   ? -14.671 8.067   -2.555  1.000 20.842 0 301 A1H2L A N5   1 ? 
HETATM 2284 N  N6   . A1H2L B 2 .   ? -13.401 8.236   -2.284  1.000 21.122 0 301 A1H2L A N6   1 ? 
HETATM 2285 C  C16  . A1H2L B 2 .   ? -11.973 9.016   -0.382  1.000 21.626 0 301 A1H2L A C16  1 ? 
HETATM 2286 C  C18  . A1H2L B 2 .   ? -9.678  9.681   -0.606  1.000 23.347 0 301 A1H2L A C18  1 ? 
HETATM 2287 C  C19  . A1H2L B 2 .   ? -9.525  9.598   0.768   1.000 24.081 0 301 A1H2L A C19  1 ? 
HETATM 2288 CL CL1  . A1H2L B 2 .   ? -7.927  9.987   1.495   0.600 27.806 0 301 A1H2L A CL1  1 ? 
HETATM 2289 F  F3   . A1H2L B 2 .   ? -10.479 9.123   2.951   1.000 23.289 0 301 A1H2L A F3   1 ? 
HETATM 2290 F  F4   . A1H2L B 2 .   ? -12.869 8.565   1.819   1.000 21.355 0 301 A1H2L A F4   1 ? 
HETATM 2291 H  H7   . A1H2L B 2 .   ? -19.166 9.990   -3.609  1.000 20.016 0 301 A1H2L A H7   1 c 
HETATM 2292 H  H6   . A1H2L B 2 .   ? -18.917 8.266   -3.394  1.000 19.999 0 301 A1H2L A H6   1 c 
HETATM 2293 H  H8   . A1H2L B 2 .   ? -21.857 8.316   -1.274  1.000 21.235 0 301 A1H2L A H8   1 c 
HETATM 2294 H  H10  . A1H2L B 2 .   ? -24.122 9.355   -0.865  1.000 22.805 0 301 A1H2L A H10  1 c 
HETATM 2295 H  H9   . A1H2L B 2 .   ? -25.106 7.858   -0.548  1.000 22.836 0 301 A1H2L A H9   1 c 
HETATM 2296 H  H13  . A1H2L B 2 .   ? -25.498 6.256   -2.247  1.000 22.423 0 301 A1H2L A H13  1 c 
HETATM 2297 H  H18  . A1H2L B 2 .   ? -16.832 6.259   -0.979  1.000 18.534 0 301 A1H2L A H18  1 c 
HETATM 2298 H  H21  . A1H2L B 2 .   ? -11.021 9.457   -2.256  1.000 22.474 0 301 A1H2L A H21  1 c 
HETATM 2299 H  H23  . A1H2L B 2 .   ? -14.857 9.161   0.455   1.000 20.565 0 301 A1H2L A H23  1 c 
HETATM 2300 H  H2   . A1H2L B 2 .   ? -16.821 12.529  -2.655  1.000 21.586 0 301 A1H2L A H2   1 c 
HETATM 2301 H  H3   . A1H2L B 2 .   ? -16.758 12.041  -0.998  1.000 21.592 0 301 A1H2L A H3   1 c 
HETATM 2302 H  H1   . A1H2L B 2 .   ? -18.273 12.093  -1.827  1.000 21.630 0 301 A1H2L A H1   1 c 
HETATM 2303 H  H4   . A1H2L B 2 .   ? -17.306 9.869   -0.388  1.000 20.007 0 301 A1H2L A H4   1 c 
HETATM 2304 H  H5   . A1H2L B 2 .   ? -19.532 10.309  -1.219  1.000 19.688 0 301 A1H2L A H5   1 c 
HETATM 2305 H  H11  . A1H2L B 2 .   ? -26.245 8.021   -3.702  1.000 23.134 0 301 A1H2L A H11  1 c 
HETATM 2306 H  H12  . A1H2L B 2 .   ? -25.237 9.515   -3.949  1.000 23.113 0 301 A1H2L A H12  1 c 
HETATM 2307 H  H14  . A1H2L B 2 .   ? -19.031 6.668   -1.892  1.000 18.391 0 301 A1H2L A H14  1 c 
HETATM 2308 H  H15  . A1H2L B 2 .   ? -19.256 6.434   1.136   1.000 18.134 0 301 A1H2L A H15  1 c 
HETATM 2309 H  H16  . A1H2L B 2 .   ? -18.847 5.106   0.039   1.000 18.151 0 301 A1H2L A H16  1 c 
HETATM 2310 H  H17  . A1H2L B 2 .   ? -21.245 6.701   -0.069  0.000 18.042 0 301 A1H2L A H17  1 c 
HETATM 2311 H  H19  . A1H2L B 2 .   ? -16.544 8.394   0.661   0.000 17.771 0 301 A1H2L A H19  1 c 
HETATM 2312 H  H20  . A1H2L B 2 .   ? -17.047 7.931   -2.680  1.000 19.503 0 301 A1H2L A H20  1 c 
HETATM 2313 H  H22  . A1H2L B 2 .   ? -8.842  9.976   -1.228  1.000 23.308 0 301 A1H2L A H22  1 c 
HETATM 2314 S  S    . SCN   C 3 .   ? -15.320 11.199  2.262   1.000 38.564 0 302 SCN   A S    1 ? 
HETATM 2315 C  C    . SCN   C 3 .   ? -14.580 11.843  1.030   1.000 39.472 0 302 SCN   A C    1 ? 
HETATM 2316 N  N    . SCN   C 3 .   ? -14.024 12.277  0.123   1.000 40.687 0 302 SCN   A N    1 ? 
HETATM 2317 CL CL   . CL    D 4 .   ? -4.023  9.567   1.280   1.000 36.380 0 303 CL    A CL   1 ? 
HETATM 2318 O  O    . HOH   E 5 .   ? -20.833 10.902  16.090  1.000 29.519 0 401 HOH   A O    1 ? 
HETATM 2319 O  O    . HOH   E 5 .   ? -11.126 14.657  18.184  1.000 45.267 0 402 HOH   A O    1 ? 
HETATM 2320 O  O    . HOH   E 5 .   ? -25.142 -14.254 9.060   1.000 38.323 0 403 HOH   A O    1 ? 
HETATM 2321 O  O    . HOH   E 5 .   ? -8.334  3.693   0.933   1.000 22.337 0 404 HOH   A O    1 ? 
HETATM 2322 O  O    . HOH   E 5 .   ? -13.669 14.695  21.325  1.000 24.369 0 405 HOH   A O    1 ? 
HETATM 2323 O  O    . HOH   E 5 .   ? -11.490 5.660   -0.738  1.000 28.717 0 406 HOH   A O    1 ? 
HETATM 2324 O  O    . HOH   E 5 .   ? -23.576 14.019  8.864   1.000 33.344 0 407 HOH   A O    1 ? 
HETATM 2325 O  O    . HOH   E 5 .   ? -3.088  -8.659  -4.523  1.000 27.424 0 408 HOH   A O    1 ? 
HETATM 2326 O  O    . HOH   E 5 .   ? -14.458 -14.911 -10.885 1.000 37.905 0 409 HOH   A O    1 ? 
HETATM 2327 O  O    . HOH   E 5 .   ? -21.308 2.656   8.881   1.000 29.158 0 410 HOH   A O    1 ? 
HETATM 2328 O  O    . HOH   E 5 .   ? 0.254   -9.136  2.372   1.000 39.745 0 411 HOH   A O    1 ? 
HETATM 2329 O  O    . HOH   E 5 .   ? -18.777 -5.911  -11.076 1.000 28.780 0 412 HOH   A O    1 ? 
HETATM 2330 O  O    . HOH   E 5 .   ? -10.034 0.752   -8.513  1.000 28.262 0 413 HOH   A O    1 ? 
HETATM 2331 O  O    . HOH   E 5 .   ? -11.834 -17.415 0.836   1.000 28.498 0 414 HOH   A O    1 ? 
HETATM 2332 O  O    . HOH   E 5 .   ? -22.656 -1.518  8.453   1.000 25.845 0 415 HOH   A O    1 ? 
HETATM 2333 O  O    . HOH   E 5 .   ? -4.102  -9.108  12.952  1.000 25.505 0 416 HOH   A O    1 ? 
HETATM 2334 O  O    . HOH   E 5 .   ? -21.907 10.357  0.971   1.000 22.462 0 417 HOH   A O    1 ? 
HETATM 2335 O  O    . HOH   E 5 .   ? -23.928 -4.945  3.384   1.000 19.983 0 418 HOH   A O    1 ? 
HETATM 2336 O  O    . HOH   E 5 .   ? -17.311 -7.544  -7.125  1.000 22.308 0 419 HOH   A O    1 ? 
HETATM 2337 O  O    . HOH   E 5 .   ? -15.635 -2.115  -11.548 1.000 21.384 0 420 HOH   A O    1 ? 
HETATM 2338 O  O    . HOH   E 5 .   ? -19.107 -6.797  0.247   1.000 17.730 0 421 HOH   A O    1 ? 
HETATM 2339 O  O    . HOH   E 5 .   ? -11.700 1.352   23.571  1.000 40.105 0 422 HOH   A O    1 ? 
HETATM 2340 O  O    . HOH   E 5 .   ? -28.483 4.788   3.163   1.000 33.423 0 423 HOH   A O    1 ? 
HETATM 2341 O  O    . HOH   E 5 .   ? -24.631 -5.020  6.798   1.000 22.199 0 424 HOH   A O    1 ? 
HETATM 2342 O  O    . HOH   E 5 .   ? -23.014 -4.657  15.129  1.000 35.827 0 425 HOH   A O    1 ? 
HETATM 2343 O  O    . HOH   E 5 .   ? -24.097 22.006  10.274  1.000 34.824 0 426 HOH   A O    1 ? 
HETATM 2344 O  O    . HOH   E 5 .   ? -25.859 5.271   14.604  1.000 41.128 0 427 HOH   A O    1 ? 
HETATM 2345 O  O    . HOH   E 5 .   ? -15.430 14.841  6.989   1.000 26.639 0 428 HOH   A O    1 ? 
HETATM 2346 O  O    . HOH   E 5 .   ? -7.245  13.029  3.138   1.000 39.036 0 429 HOH   A O    1 ? 
HETATM 2347 O  O    . HOH   E 5 .   ? -12.949 4.140   -2.786  1.000 39.125 0 430 HOH   A O    1 ? 
HETATM 2348 O  O    . HOH   E 5 .   ? -9.656  -3.110  17.837  1.000 18.569 0 431 HOH   A O    1 ? 
HETATM 2349 O  O    . HOH   E 5 .   ? -16.363 -0.494  -8.840  1.000 19.564 0 432 HOH   A O    1 ? 
HETATM 2350 O  O    . HOH   E 5 .   ? -1.432  -9.029  12.493  1.000 30.814 0 433 HOH   A O    1 ? 
HETATM 2351 O  O    . HOH   E 5 .   ? -25.022 -8.800  -3.115  1.000 47.891 0 434 HOH   A O    1 ? 
HETATM 2352 O  O    . HOH   E 5 .   ? -17.506 -8.930  0.881   1.000 16.407 0 435 HOH   A O    1 ? 
HETATM 2353 O  O    . HOH   E 5 .   ? -15.458 7.342   -5.408  1.000 35.566 0 436 HOH   A O    1 ? 
HETATM 2354 O  O    . HOH   E 5 .   ? -24.905 -10.633 2.799   1.000 26.363 0 437 HOH   A O    1 ? 
HETATM 2355 O  O    . HOH   E 5 .   ? -13.377 6.228   -12.259 1.000 33.723 0 438 HOH   A O    1 ? 
HETATM 2356 O  O    . HOH   E 5 .   ? -1.511  3.029   17.026  1.000 29.110 0 439 HOH   A O    1 ? 
HETATM 2357 O  O    . HOH   E 5 .   ? -0.716  -4.171  12.227  1.000 22.132 0 440 HOH   A O    1 ? 
HETATM 2358 O  O    . HOH   E 5 .   ? -23.363 -1.317  -10.471 1.000 42.842 0 441 HOH   A O    1 ? 
HETATM 2359 O  O    . HOH   E 5 .   ? -25.021 -5.538  9.345   1.000 35.948 0 442 HOH   A O    1 ? 
HETATM 2360 O  O    . HOH   E 5 .   ? -9.082  6.686   -1.262  1.000 35.286 0 443 HOH   A O    1 ? 
HETATM 2361 O  O    . HOH   E 5 .   ? -26.731 -9.804  -0.690  1.000 34.411 0 444 HOH   A O    1 ? 
HETATM 2362 O  O    . HOH   E 5 .   ? -10.368 8.421   23.065  1.000 28.851 0 445 HOH   A O    1 ? 
HETATM 2363 O  O    . HOH   E 5 .   ? -11.867 4.540   21.108  1.000 33.355 0 446 HOH   A O    1 ? 
HETATM 2364 O  O    . HOH   E 5 .   ? -20.205 19.039  5.127   1.000 37.910 0 447 HOH   A O    1 ? 
HETATM 2365 O  O    . HOH   E 5 .   ? -21.483 6.225   -7.745  1.000 34.880 0 448 HOH   A O    1 ? 
HETATM 2366 O  O    . HOH   E 5 .   ? -4.717  -12.465 1.818   1.000 30.290 0 449 HOH   A O    1 ? 
HETATM 2367 O  O    . HOH   E 5 .   ? -13.211 12.180  -2.742  1.000 51.338 0 450 HOH   A O    1 ? 
HETATM 2368 O  O    . HOH   E 5 .   ? -22.721 20.580  14.797  1.000 35.781 0 451 HOH   A O    1 ? 
HETATM 2369 O  O    . HOH   E 5 .   ? -23.481 -2.948  12.711  1.000 25.107 0 452 HOH   A O    1 ? 
HETATM 2370 O  O    . HOH   E 5 .   ? -26.493 -1.369  -2.740  1.000 29.769 0 453 HOH   A O    1 ? 
HETATM 2371 O  O    . HOH   E 5 .   ? 3.018   -3.185  8.263   1.000 29.303 0 454 HOH   A O    1 ? 
HETATM 2372 O  O    . HOH   E 5 .   ? -8.053  -6.934  -5.966  1.000 21.798 0 455 HOH   A O    1 ? 
HETATM 2373 O  O    . HOH   E 5 .   ? -13.585 -6.973  14.807  1.000 33.391 0 456 HOH   A O    1 ? 
HETATM 2374 O  O    . HOH   E 5 .   ? -9.764  7.491   20.504  1.000 23.651 0 457 HOH   A O    1 ? 
HETATM 2375 O  O    . HOH   E 5 .   ? 0.400   -9.513  7.164   1.000 33.809 0 458 HOH   A O    1 ? 
HETATM 2376 O  O    . HOH   E 5 .   ? -18.640 -18.011 3.888   1.000 31.787 0 459 HOH   A O    1 ? 
HETATM 2377 O  O    . HOH   E 5 .   ? -16.656 -4.952  22.491  1.000 37.340 0 460 HOH   A O    1 ? 
HETATM 2378 O  O    . HOH   E 5 .   ? -22.643 -1.077  -5.394  1.000 34.273 0 461 HOH   A O    1 ? 
HETATM 2379 O  O    . HOH   E 5 .   ? -25.636 9.939   9.081   1.000 33.186 0 462 HOH   A O    1 ? 
HETATM 2380 O  O    . HOH   E 5 .   ? -13.458 2.414   21.068  1.000 33.780 0 463 HOH   A O    1 ? 
HETATM 2381 O  O    . HOH   E 5 .   ? -26.686 4.335   -4.629  1.000 37.434 0 464 HOH   A O    1 ? 
HETATM 2382 O  O    . HOH   E 5 .   ? -25.983 16.021  8.404   1.000 41.401 0 465 HOH   A O    1 ? 
HETATM 2383 O  O    . HOH   E 5 .   ? -19.295 8.482   19.659  1.000 35.562 0 466 HOH   A O    1 ? 
HETATM 2384 O  O    . HOH   E 5 .   ? -19.086 -11.616 -6.227  1.000 27.890 0 467 HOH   A O    1 ? 
HETATM 2385 O  O    . HOH   E 5 .   ? -17.579 14.970  5.042   1.000 35.961 0 468 HOH   A O    1 ? 
HETATM 2386 O  O    . HOH   E 5 .   ? -14.770 -17.211 -1.868  1.000 30.044 0 469 HOH   A O    1 ? 
HETATM 2387 O  O    . HOH   E 5 .   ? -23.878 -2.454  -3.482  1.000 17.815 0 470 HOH   A O    1 ? 
HETATM 2388 O  O    . HOH   E 5 .   ? -27.509 -8.779  9.595   1.000 52.043 0 471 HOH   A O    1 ? 
HETATM 2389 O  O    . HOH   E 5 .   ? -9.423  -20.061 -2.072  1.000 37.373 0 472 HOH   A O    1 ? 
HETATM 2390 O  O    . HOH   E 5 .   ? -27.261 5.903   -0.090  1.000 28.636 0 473 HOH   A O    1 ? 
HETATM 2391 O  O    . HOH   E 5 .   ? -19.708 -13.381 -7.992  1.000 40.700 0 474 HOH   A O    1 ? 
HETATM 2392 O  O    . HOH   E 5 .   ? -22.864 0.799   9.863   1.000 34.112 0 475 HOH   A O    1 ? 
HETATM 2393 O  O    . HOH   E 5 .   ? -6.462  3.809   -1.224  1.000 44.201 0 476 HOH   A O    1 ? 
HETATM 2394 O  O    . HOH   E 5 .   ? -28.410 4.866   -2.294  1.000 56.378 0 477 HOH   A O    1 ? 
HETATM 2395 O  O    . HOH   E 5 .   ? -26.371 -6.095  2.603   1.000 28.550 0 478 HOH   A O    1 ? 
HETATM 2396 O  O    . HOH   E 5 .   ? -19.952 -8.838  -6.982  1.000 30.933 0 479 HOH   A O    1 ? 
HETATM 2397 O  O    . HOH   E 5 .   ? -24.662 12.229  10.652  1.000 35.734 0 480 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   ? 0.17881221 0.44633558 0.48867559 0.05403873  -0.00644868 -0.01595317 113 PRO   A N    
2    C  CA   . PRO   A 1   ? 0.12703642 0.44593027 0.48754716 0.03457834  -0.00421889 -0.01815318 113 PRO   A CA   
3    C  C    . PRO   A 1   ? 0.09763898 0.42204285 0.48336962 0.01970407  0.00446647  -0.01307967 113 PRO   A C    
4    O  O    . PRO   A 1   ? 0.08740790 0.44335288 0.48235577 0.02762621  -0.00094197 -0.01254372 113 PRO   A O    
5    C  CB   . PRO   A 1   ? 0.15565811 0.44101018 0.48892397 0.04517495  0.00057074  -0.02010451 113 PRO   A CB   
6    C  CG   . PRO   A 1   ? 0.18154883 0.44970307 0.49441510 0.05150498  -0.00548406 -0.01926596 113 PRO   A CG   
7    C  CD   . PRO   A 1   ? 0.18780850 0.45348433 0.49355477 0.05084252  -0.00854360 -0.01918001 113 PRO   A CD   
8    H  H    . PRO   A 1   ? 0.16781271 0.44748554 0.48926651 0.04891485  -0.00623453 -0.01739670 113 PRO   A H    
9    H  HA   . PRO   A 1   ? 0.13152887 0.43683881 0.48544180 0.03492967  -0.00090100 -0.01723796 113 PRO   A HA   
10   H  HB2  . PRO   A 1   ? 0.15380523 0.44374034 0.48967850 0.04401082  -0.00173479 -0.01939957 113 PRO   A HB2  
11   H  HB3  . PRO   A 1   ? 0.15358886 0.44360220 0.48973903 0.04460490  -0.00177613 -0.01949508 113 PRO   A HB3  
12   H  HG2  . PRO   A 1   ? 0.17865209 0.44927087 0.49346262 0.05098085  -0.00427602 -0.01890165 113 PRO   A HG2  
13   H  HG3  . PRO   A 1   ? 0.17860842 0.44863665 0.49405774 0.04996606  -0.00589082 -0.01922862 113 PRO   A HG3  
14   H  HD2  . PRO   A 1   ? 0.18644978 0.45109227 0.49288037 0.05155584  -0.00678251 -0.01862404 113 PRO   A HD2  
15   H  HD3  . PRO   A 1   ? 0.18523282 0.45152110 0.49304298 0.05225761  -0.00771728 -0.01893912 113 PRO   A HD3  
16   N  N    . LEU   A 2   ? 0.09310034 0.38500041 0.49109647 0.00065599  -0.00108935 -0.01159810 114 LEU   A N    
17   C  CA   . LEU   A 2   ? 0.10460765 0.36711532 0.49649644 -0.01128622 -0.00049387 -0.00811510 114 LEU   A CA   
18   C  C    . LEU   A 2   ? 0.13654284 0.36481473 0.51028931 -0.01521219 0.00093400  0.00380173  114 LEU   A C    
19   O  O    . LEU   A 2   ? 0.20798591 0.36240533 0.51618189 0.00863038  0.00392648  -0.00411237 114 LEU   A O    
20   C  CB   . LEU   A 2   ? 0.12001493 0.36092249 0.50108802 -0.01240710 -0.00636481 -0.00850271 114 LEU   A CB   
21   C  CG   . LEU   A 2   ? 0.12699330 0.36513945 0.50948566 -0.00991092 -0.00815036 -0.00905615 114 LEU   A CG   
22   C  CD1  . LEU   A 2   ? 0.14881882 0.36075065 0.51252443 -0.01721569 -0.00431518 -0.00903814 114 LEU   A CD1  
23   C  CD2  . LEU   A 2   ? 0.13252749 0.37417722 0.51411736 -0.01027962 -0.00423125 -0.01074172 114 LEU   A CD2  
24   H  H    . LEU   A 2   ? 0.09698634 0.38950059 0.49047950 0.00281453  0.00066558  -0.01120849 114 LEU   A H    
25   H  HA   . LEU   A 2   ? 0.10686289 0.36972168 0.49763665 -0.00944118 0.00047520  -0.00681012 114 LEU   A HA   
26   H  HB2  . LEU   A 2   ? 0.11998661 0.36240116 0.50115126 -0.01206881 -0.00571750 -0.00869942 114 LEU   A HB2  
27   H  HB3  . LEU   A 2   ? 0.11836852 0.36311510 0.50148684 -0.01168538 -0.00546778 -0.00858034 114 LEU   A HB3  
28   H  HG   . LEU   A 2   ? 0.13027431 0.36554059 0.50894743 -0.01156795 -0.00632417 -0.00929588 114 LEU   A HG   
29   H  HD11 . LEU   A 2   ? 0.14443152 0.36227989 0.51254892 -0.01565820 -0.00664629 -0.00864822 114 LEU   A HD11 
30   H  HD12 . LEU   A 2   ? 0.14291686 0.36258221 0.51198900 -0.01531383 -0.00556527 -0.00917697 114 LEU   A HD12 
31   H  HD13 . LEU   A 2   ? 0.14308709 0.36154470 0.51216668 -0.01472903 -0.00528072 -0.00894228 114 LEU   A HD13 
32   H  HD21 . LEU   A 2   ? 0.13158377 0.37248278 0.51287776 -0.00947588 -0.00512840 -0.01015817 114 LEU   A HD21 
33   H  HD22 . LEU   A 2   ? 0.13107061 0.37192255 0.51339036 -0.01006912 -0.00520683 -0.01025509 114 LEU   A HD22 
34   H  HD23 . LEU   A 2   ? 0.13116729 0.37287173 0.51308072 -0.01039973 -0.00514859 -0.01070410 114 LEU   A HD23 
35   N  N    . ILE   A 3   ? 0.13978912 0.36520666 0.51620340 -0.02933727 -0.00244530 0.00869839  115 ILE   A N    
36   C  CA   . ILE   A 3   ? 0.16774270 0.36856008 0.52164888 -0.03310808 -0.00864381 0.01340834  115 ILE   A CA   
37   C  C    . ILE   A 3   ? 0.16196394 0.35410255 0.50463742 -0.03263964 -0.00376071 0.01032097  115 ILE   A C    
38   O  O    . ILE   A 3   ? 0.16398837 0.39738840 0.50161546 -0.02238615 -0.00918515 0.00022633  115 ILE   A O    
39   C  CB   . ILE   A 3   ? 0.18526754 0.38390845 0.54439729 -0.03368160 -0.00183753 0.02473501  115 ILE   A CB   
40   C  CG1  . ILE   A 3   ? 0.21372090 0.38727930 0.55431002 -0.03486301 -0.00358796 0.01710185  115 ILE   A CG1  
41   C  CG2  . ILE   A 3   ? 0.20757511 0.39654794 0.54963112 -0.03917173 -0.00366264 0.02999160  115 ILE   A CG2  
42   C  CD1  . ILE   A 3   ? 0.22839002 0.38892651 0.55972064 -0.03602452 -0.00078622 0.01833839  115 ILE   A CD1  
43   H  H    . ILE   A 3   ? 0.14469929 0.36595616 0.51577193 -0.02646873 -0.00285014 0.00832407  115 ILE   A H    
44   H  HA   . ILE   A 3   ? 0.16471441 0.36779347 0.52166802 -0.03226142 -0.00542111 0.01416412  115 ILE   A HA   
45   H  HB   . ILE   A 3   ? 0.19016199 0.38325527 0.54206443 -0.03453095 -0.00365949 0.02184932  115 ILE   A HB   
46   H  HG12 . ILE   A 3   ? 0.21165082 0.38715464 0.55408347 -0.03424568 -0.00369810 0.01868268  115 ILE   A HG12 
47   H  HG13 . ILE   A 3   ? 0.21057235 0.38709077 0.55336171 -0.03484636 -0.00281647 0.01915329  115 ILE   A HG13 
48   H  HG21 . ILE   A 3   ? 0.20193444 0.39370108 0.54873896 -0.03704521 -0.00386846 0.02828125  115 ILE   A HG21 
49   H  HG22 . ILE   A 3   ? 0.20255618 0.39419797 0.54892379 -0.03878070 -0.00441505 0.02950910  115 ILE   A HG22 
50   H  HG23 . ILE   A 3   ? 0.20136991 0.39364430 0.54862916 -0.03698283 -0.00290389 0.02910894  115 ILE   A HG23 
51   H  HD11 . ILE   A 3   ? 0.22320022 0.38826564 0.55794889 -0.03507240 -0.00252745 0.01768091  115 ILE   A HD11 
52   H  HD12 . ILE   A 3   ? 0.22465238 0.38925394 0.55834067 -0.03474988 -0.00129826 0.01844168  115 ILE   A HD12 
53   H  HD13 . ILE   A 3   ? 0.22366133 0.38917473 0.55794823 -0.03574083 -0.00187164 0.01821122  115 ILE   A HD13 
54   N  N    . VAL   A 4   ? 0.16515319 0.30873153 0.47299734 -0.03726261 -0.01069865 0.01065116  116 VAL   A N    
55   C  CA   . VAL   A 4   ? 0.15948503 0.29426470 0.46181253 -0.03520722 -0.00380144 0.00830404  116 VAL   A CA   
56   C  C    . VAL   A 4   ? 0.13925749 0.28801847 0.44921565 -0.03643864 -0.00084418 -0.00122892 116 VAL   A C    
57   O  O    . VAL   A 4   ? 0.14566860 0.28115654 0.44482714 -0.03677489 -0.00935040 0.00466971  116 VAL   A O    
58   C  CB   . VAL   A 4   ? 0.19612454 0.30347478 0.46216515 -0.02637476 0.00981683  0.01094872  116 VAL   A CB   
59   C  CG1  . VAL   A 4   ? 0.21357718 0.30599102 0.46844500 -0.01947942 0.00819745  0.01343622  116 VAL   A CG1  
60   C  CG2  . VAL   A 4   ? 0.21797968 0.30952221 0.46479008 -0.02178105 0.00804842  0.00806030  116 VAL   A CG2  
61   H  HA   . VAL   A 4   ? 0.16198516 0.29636720 0.46140063 -0.03409069 -0.00202203 0.00666121  116 VAL   A HA   
62   H  HB   . VAL   A 4   ? 0.19629295 0.30299115 0.46413735 -0.02566563 0.00750035  0.01033530  116 VAL   A HB   
63   H  HG11 . VAL   A 4   ? 0.21014693 0.30548131 0.46765611 -0.02144316 0.00958233  0.01300876  116 VAL   A HG11 
64   H  HG12 . VAL   A 4   ? 0.20901428 0.30595848 0.46698788 -0.02157835 0.00870498  0.01303043  116 VAL   A HG12 
65   H  HG13 . VAL   A 4   ? 0.21035090 0.30551732 0.46746686 -0.02193640 0.00785320  0.01307345  116 VAL   A HG13 
66   H  HG21 . VAL   A 4   ? 0.21322046 0.30713665 0.46500674 -0.02318768 0.00735824  0.00900160  116 VAL   A HG21 
67   H  HG22 . VAL   A 4   ? 0.21168326 0.30775037 0.46483964 -0.02317024 0.00852679  0.00858003  116 VAL   A HG22 
68   H  HG23 . VAL   A 4   ? 0.21352911 0.30778071 0.46518418 -0.02261783 0.00951219  0.00927337  116 VAL   A HG23 
69   N  N    . PRO   A 5   ? 0.13964498 0.28458408 0.44158071 -0.02671644 0.00717998  -0.01147546 117 PRO   A N    
70   C  CA   . PRO   A 5   ? 0.12629402 0.28305429 0.43971759 -0.02089098 0.00662781  -0.01656585 117 PRO   A CA   
71   C  C    . PRO   A 5   ? 0.10236073 0.28286833 0.43353313 -0.02037611 0.01885392  -0.02180861 117 PRO   A C    
72   O  O    . PRO   A 5   ? 0.09936765 0.30453071 0.43815807 -0.02720194 0.02060341  -0.02290162 117 PRO   A O    
73   C  CB   . PRO   A 5   ? 0.14553978 0.28311911 0.44191065 -0.02463134 0.00107731  -0.01867366 117 PRO   A CB   
74   C  CG   . PRO   A 5   ? 0.15604128 0.29133889 0.44282657 -0.02346306 0.00495925  -0.01643333 117 PRO   A CG   
75   C  CD   . PRO   A 5   ? 0.14949787 0.28788280 0.44115630 -0.02299534 0.00402188  -0.01376818 117 PRO   A CD   
76   H  HA   . PRO   A 5   ? 0.12808223 0.28284177 0.43969247 -0.02248957 0.00784328  -0.01680982 117 PRO   A HA   
77   H  HB2  . PRO   A 5   ? 0.14339872 0.28369376 0.44128233 -0.02396233 0.00307923  -0.01829114 117 PRO   A HB2  
78   H  HB3  . PRO   A 5   ? 0.14481407 0.28508008 0.44162700 -0.02437310 0.00283743  -0.01762524 117 PRO   A HB3  
79   H  HG2  . PRO   A 5   ? 0.15265609 0.28906238 0.44262895 -0.02411222 0.00360765  -0.01612958 117 PRO   A HG2  
80   H  HG3  . PRO   A 5   ? 0.15264627 0.28907949 0.44293091 -0.02411759 0.00432707  -0.01677687 117 PRO   A HG3  
81   H  HD2  . PRO   A 5   ? 0.14967822 0.28786436 0.44176608 -0.02370488 0.00457846  -0.01390498 117 PRO   A HD2  
82   H  HD3  . PRO   A 5   ? 0.14872773 0.28763220 0.44164768 -0.02378636 0.00491217  -0.01385710 117 PRO   A HD3  
83   N  N    . TYR   A 6   ? 0.08621053 0.26080984 0.43479919 -0.00718027 0.01774784  -0.02870186 118 TYR   A N    
84   C  CA   . TYR   A 6   ? 0.08588536 0.25474733 0.43905276 -0.00807874 0.02045268  -0.03037978 118 TYR   A CA   
85   C  C    . TYR   A 6   ? 0.09286958 0.25453472 0.43733212 -0.00663367 0.01947714  -0.03688348 118 TYR   A C    
86   O  O    . TYR   A 6   ? 0.09948375 0.23791444 0.43538556 -0.01152154 0.03262571  -0.04133605 118 TYR   A O    
87   C  CB   . TYR   A 6   ? 0.09856321 0.26481062 0.44897792 -0.00196643 0.01833531  -0.02480699 118 TYR   A CB   
88   C  CG   . TYR   A 6   ? 0.12328163 0.27741739 0.46005464 0.01219263  0.01675521  -0.01871385 118 TYR   A CG   
89   C  CD1  . TYR   A 6   ? 0.13135259 0.29186437 0.47746411 0.01714198  0.02797533  -0.01254814 118 TYR   A CD1  
90   C  CD2  . TYR   A 6   ? 0.14516278 0.27908900 0.46791348 0.01195170  0.01510261  -0.01491719 118 TYR   A CD2  
91   C  CE1  . TYR   A 6   ? 0.15871136 0.29980329 0.48623410 0.02807634  0.02277460  -0.00972253 118 TYR   A CE1  
92   C  CE2  . TYR   A 6   ? 0.16773748 0.28797075 0.47744322 0.01932395  0.01401100  -0.01115071 118 TYR   A CE2  
93   C  CZ   . TYR   A 6   ? 0.17837967 0.29460806 0.48627007 0.03494944  0.02439561  -0.01012746 118 TYR   A CZ   
94   O  OH   . TYR   A 6   ? 0.24953566 0.31117722 0.50626606 0.06064118  0.01793748  0.00246755  118 TYR   A OH   
95   H  H    . TYR   A 6   ? 0.08785441 0.26456961 0.43504494 -0.01035604 0.01959527  -0.02749918 118 TYR   A H    
96   H  HA   . TYR   A 6   ? 0.08800034 0.25805259 0.43865401 -0.00669103 0.02061144  -0.03029725 118 TYR   A HA   
97   H  HB2  . TYR   A 6   ? 0.09985098 0.26402214 0.44856489 -0.00098604 0.01832894  -0.02512058 118 TYR   A HB2  
98   H  HB3  . TYR   A 6   ? 0.09987880 0.26468566 0.44847184 -0.00048392 0.01877375  -0.02487311 118 TYR   A HB3  
99   H  HD1  . TYR   A 6   ? 0.13522892 0.28883898 0.47454613 0.01793142  0.02414827  -0.01306786 118 TYR   A HD1  
100  H  HD2  . TYR   A 6   ? 0.14514090 0.28019926 0.46771470 0.01364919  0.01508065  -0.01505066 118 TYR   A HD2  
101  H  HE1  . TYR   A 6   ? 0.15863691 0.29633048 0.48382327 0.02676658  0.02366170  -0.01051851 118 TYR   A HE1  
102  H  HE2  . TYR   A 6   ? 0.16378015 0.28714883 0.47658935 0.02134338  0.01640484  -0.01224758 118 TYR   A HE2  
103  H  HH   . TYR   A 6   ? 0.42637220 0.42637220 0.42637220 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
104  N  N    . ASN   A 7   ? 0.11202703 0.26244056 0.44488525 0.00351418  0.01285508  -0.04467664 119 ASN   A N    
105  C  CA   . ASN   A 7   ? 0.13815440 0.27066785 0.45541018 0.00789675  0.00415956  -0.04677300 119 ASN   A CA   
106  C  C    . ASN   A 7   ? 0.11948338 0.26785511 0.44685635 0.02174370  0.00604298  -0.05584916 119 ASN   A C    
107  O  O    . ASN   A 7   ? 0.11998145 0.27567199 0.46252522 0.02439756  0.01654547  -0.05802245 119 ASN   A O    
108  C  CB   . ASN   A 7   ? 0.19170152 0.29258668 0.46837702 0.00994151  0.00052036  -0.04137239 119 ASN   A CB   
109  C  CG   . ASN   A 7   ? 0.22570811 0.32025802 0.49355730 0.00510399  -0.01874568 -0.03721554 119 ASN   A CG   
110  O  OD1  . ASN   A 7   ? 0.27179933 0.32759130 0.51102233 -0.00351118 -0.01588143 -0.03107023 119 ASN   A OD1  
111  N  ND2  . ASN   A 7   ? 0.28187537 0.33853281 0.50708818 0.01241239  -0.03149208 -0.02090783 119 ASN   A ND2  
112  H  H    . ASN   A 7   ? 0.11238500 0.26205334 0.44506216 0.00179541  0.01271470  -0.04297959 119 ASN   A H    
113  H  HA   . ASN   A 7   ? 0.13860478 0.27105418 0.45314893 0.00968297  0.00507853  -0.04698367 119 ASN   A HA   
114  H  HB2  . ASN   A 7   ? 0.18488611 0.29254153 0.47014588 0.00829815  -0.00281367 -0.04158857 119 ASN   A HB2  
115  H  HB3  . ASN   A 7   ? 0.18469177 0.29267922 0.46996760 0.00784219  -0.00284974 -0.04169183 119 ASN   A HB3  
116  H  HD21 . ASN   A 7   ? 0.26326218 0.33671787 0.50223172 0.01171086  -0.02601562 -0.02621472 119 ASN   A HD21 
117  H  HD22 . ASN   A 7   ? 0.27004519 0.33444038 0.50418174 0.01319663  -0.02343835 -0.02483859 119 ASN   A HD22 
118  N  N    . LEU   A 8   ? 0.09755823 0.25069219 0.43679792 0.02899042  -0.00469294 -0.05840530 120 LEU   A N    
119  C  CA   . LEU   A 8   ? 0.10329837 0.25490609 0.43034518 0.03731252  -0.01154711 -0.05644612 120 LEU   A CA   
120  C  C    . LEU   A 8   ? 0.10626314 0.24867131 0.42401665 0.04674853  -0.00755250 -0.05552378 120 LEU   A C    
121  O  O    . LEU   A 8   ? 0.10529931 0.24487337 0.40952259 0.04416633  -0.01260229 -0.05662718 120 LEU   A O    
122  C  CB   . LEU   A 8   ? 0.12440957 0.25613227 0.42828169 0.03287274  -0.01753714 -0.05593699 120 LEU   A CB   
123  C  CG   . LEU   A 8   ? 0.14251104 0.24820966 0.43014449 0.02629646  -0.01993333 -0.05966242 120 LEU   A CG   
124  C  CD1  . LEU   A 8   ? 0.14568307 0.26264966 0.43020517 0.02599990  -0.02055037 -0.05739261 120 LEU   A CD1  
125  C  CD2  . LEU   A 8   ? 0.15700750 0.24241516 0.42869526 0.02670956  -0.02063954 -0.06022412 120 LEU   A CD2  
126  H  H    . LEU   A 8   ? 0.09998351 0.25478727 0.43737209 0.03092586  -0.00280440 -0.05767051 120 LEU   A H    
127  H  HA   . LEU   A 8   ? 0.10355718 0.25351259 0.43034056 0.03688209  -0.01044924 -0.05646697 120 LEU   A HA   
128  H  HB2  . LEU   A 8   ? 0.12390752 0.25457326 0.42954338 0.03256155  -0.01629308 -0.05627655 120 LEU   A HB2  
129  H  HB3  . LEU   A 8   ? 0.12397571 0.25369552 0.42884621 0.03223741  -0.01637064 -0.05657238 120 LEU   A HB3  
130  H  HG   . LEU   A 8   ? 0.14209917 0.25013393 0.42886367 0.02726986  -0.01995960 -0.05946993 120 LEU   A HG   
131  H  HD11 . LEU   A 8   ? 0.14434907 0.25870234 0.43063366 0.02629855  -0.02029108 -0.05797018 120 LEU   A HD11 
132  H  HD12 . LEU   A 8   ? 0.14468397 0.25942802 0.43070978 0.02609873  -0.02021028 -0.05840240 120 LEU   A HD12 
133  H  HD13 . LEU   A 8   ? 0.14480744 0.25962812 0.43092865 0.02655087  -0.02001631 -0.05734921 120 LEU   A HD13 
134  H  HD21 . LEU   A 8   ? 0.15564629 0.24391465 0.42930475 0.02646454  -0.01975761 -0.06012896 120 LEU   A HD21 
135  H  HD22 . LEU   A 8   ? 0.15339909 0.24357107 0.42895636 0.02647089  -0.02039785 -0.06036531 120 LEU   A HD22 
136  H  HD23 . LEU   A 8   ? 0.15360907 0.24349806 0.42933947 0.02672591  -0.02045060 -0.05995436 120 LEU   A HD23 
137  N  N    . PRO   A 9   ? 0.10988175 0.25269237 0.42594182 0.05356146  -0.00370871 -0.05096008 121 PRO   A N    
138  C  CA   . PRO   A 9   ? 0.12829639 0.25341627 0.41941044 0.05728748  -0.00159182 -0.05121649 121 PRO   A CA   
139  C  C    . PRO   A 9   ? 0.13616045 0.23980597 0.40444040 0.06338273  -0.00502932 -0.05031478 121 PRO   A C    
140  O  O    . PRO   A 9   ? 0.15180548 0.24266173 0.40459174 0.05875273  -0.00858290 -0.05077638 121 PRO   A O    
141  C  CB   . PRO   A 9   ? 0.13678573 0.25887460 0.42948255 0.05872299  0.00710091  -0.05397023 121 PRO   A CB   
142  C  CG   . PRO   A 9   ? 0.12414278 0.27198479 0.43405533 0.05339286  0.00673174  -0.05121821 121 PRO   A CG   
143  C  CD   . PRO   A 9   ? 0.11316063 0.26256055 0.43321854 0.05156976  0.00254321  -0.05056442 121 PRO   A CD   
144  H  HA   . PRO   A 9   ? 0.12761205 0.25133848 0.41931367 0.05793902  -0.00113561 -0.05149755 121 PRO   A HA   
145  H  HB2  . PRO   A 9   ? 0.13205630 0.26059538 0.42817339 0.05718118  0.00504232  -0.05279625 121 PRO   A HB2  
146  H  HB3  . PRO   A 9   ? 0.13202626 0.26056093 0.42869520 0.05722417  0.00513305  -0.05261217 121 PRO   A HB3  
147  H  HG2  . PRO   A 9   ? 0.12534642 0.26704684 0.43294042 0.05378395  0.00595457  -0.05180820 121 PRO   A HG2  
148  H  HG3  . PRO   A 9   ? 0.12460221 0.26713264 0.43334672 0.05410546  0.00587534  -0.05207859 121 PRO   A HG3  
149  H  HD2  . PRO   A 9   ? 0.11476628 0.26222444 0.43203729 0.05227970  0.00215513  -0.05100325 121 PRO   A HD2  
150  H  HD3  . PRO   A 9   ? 0.11458523 0.26209968 0.43183628 0.05207474  0.00192701  -0.05093779 121 PRO   A HD3  
151  N  N    . LEU   A 10  ? 0.13363935 0.22942105 0.39219278 0.06784366  -0.00641057 -0.04635454 122 LEU   A N    
152  C  CA   . LEU   A 10  ? 0.14033312 0.22800848 0.38289079 0.06394264  -0.00842381 -0.04620813 122 LEU   A CA   
153  C  C    . LEU   A 10  ? 0.13066818 0.23272106 0.37927195 0.07039342  -0.00649190 -0.04404415 122 LEU   A C    
154  O  O    . LEU   A 10  ? 0.12893127 0.22791313 0.37600982 0.06043044  -0.00538804 -0.04197393 122 LEU   A O    
155  C  CB   . LEU   A 10  ? 0.14483552 0.22061419 0.37829044 0.06384610  -0.00658767 -0.04452763 122 LEU   A CB   
156  C  CG   . LEU   A 10  ? 0.15450926 0.21638487 0.37301689 0.05536066  -0.00428689 -0.04472487 122 LEU   A CG   
157  C  CD1  . LEU   A 10  ? 0.15760963 0.21368562 0.37377501 0.05584010  0.00015105  -0.04630395 122 LEU   A CD1  
158  C  CD2  . LEU   A 10  ? 0.16779652 0.22368264 0.37725690 0.05188208  -0.00769365 -0.04457706 122 LEU   A CD2  
159  H  H    . LEU   A 10  ? 0.13540734 0.23130062 0.39227846 0.06565592  -0.00666633 -0.04684096 122 LEU   A H    
160  H  HA   . LEU   A 10  ? 0.13919698 0.22842993 0.38394082 0.06568066  -0.00757254 -0.04510959 122 LEU   A HA   
161  H  HB2  . LEU   A 10  ? 0.14554228 0.22067337 0.37773436 0.06149897  -0.00645006 -0.04456984 122 LEU   A HB2  
162  H  HB3  . LEU   A 10  ? 0.14599206 0.22134663 0.37810755 0.06194260  -0.00652986 -0.04497702 122 LEU   A HB3  
163  H  HG   . LEU   A 10  ? 0.15528852 0.21736434 0.37473926 0.05598443  -0.00423168 -0.04455845 122 LEU   A HG   
164  H  HD11 . LEU   A 10  ? 0.15667970 0.21433797 0.37396699 0.05553523  -0.00095586 -0.04593217 122 LEU   A HD11 
165  H  HD12 . LEU   A 10  ? 0.15639029 0.21383473 0.37341470 0.05533288  -0.00111195 -0.04601273 122 LEU   A HD12 
166  H  HD13 . LEU   A 10  ? 0.15657161 0.21425022 0.37361196 0.05541846  -0.00105466 -0.04564831 122 LEU   A HD13 
167  H  HD21 . LEU   A 10  ? 0.16712219 0.22217225 0.37636337 0.05235102  -0.00708014 -0.04451130 122 LEU   A HD21 
168  H  HD22 . LEU   A 10  ? 0.16474332 0.22230613 0.37631491 0.05307982  -0.00696004 -0.04477439 122 LEU   A HD22 
169  H  HD23 . LEU   A 10  ? 0.16460347 0.22265795 0.37649679 0.05273232  -0.00687733 -0.04403707 122 LEU   A HD23 
170  N  N    . PRO   A 11  ? 0.12677348 0.23921448 0.38389260 0.07221750  -0.00967649 -0.03392118 123 PRO   A N    
171  C  CA   . PRO   A 11  ? 0.12576544 0.24032503 0.38072073 0.07061769  -0.00321327 -0.03139377 123 PRO   A CA   
172  C  C    . PRO   A 11  ? 0.13424431 0.24249057 0.38488489 0.07074762  0.00848644  -0.01788163 123 PRO   A C    
173  O  O    . PRO   A 11  ? 0.16860290 0.29968008 0.36899495 0.07024313  0.00665214  -0.02525008 123 PRO   A O    
174  C  CB   . PRO   A 11  ? 0.12752196 0.24382813 0.38701549 0.07271957  -0.01056432 -0.03091481 123 PRO   A CB   
175  C  CG   . PRO   A 11  ? 0.13630313 0.24169262 0.39052370 0.06834447  -0.01295581 -0.03144158 123 PRO   A CG   
176  C  CD   . PRO   A 11  ? 0.14337614 0.24549316 0.38577303 0.06808646  -0.01680834 -0.03551702 123 PRO   A CD   
177  H  HA   . PRO   A 11  ? 0.12778708 0.24092571 0.38318750 0.07108534  -0.00342322 -0.02902882 123 PRO   A HA   
178  H  HB2  . PRO   A 11  ? 0.12931685 0.24311124 0.38645318 0.07124419  -0.00929458 -0.03117929 123 PRO   A HB2  
179  H  HB3  . PRO   A 11  ? 0.12923950 0.24266164 0.38675305 0.07122498  -0.00958433 -0.03111229 123 PRO   A HB3  
180  H  HG2  . PRO   A 11  ? 0.13628173 0.24308562 0.38882059 0.06902032  -0.01295123 -0.03233479 123 PRO   A HG2  
181  H  HG3  . PRO   A 11  ? 0.13589372 0.24274337 0.38849917 0.06907471  -0.01308353 -0.03201616 123 PRO   A HG3  
182  H  HD2  . PRO   A 11  ? 0.13814668 0.24356312 0.38712436 0.06911696  -0.01429034 -0.03452198 123 PRO   A HD2  
183  H  HD3  . PRO   A 11  ? 0.13803570 0.24366249 0.38671994 0.06912252  -0.01407616 -0.03439942 123 PRO   A HD3  
184  N  N    . GLY   A 12  ? 0.12814701 0.22627638 0.38430399 0.05385172  0.01595934  -0.00691093 124 GLY   A N    
185  C  CA   . GLY   A 12  ? 0.13957275 0.23278438 0.39872134 0.04378353  0.02570700  0.00828527  124 GLY   A CA   
186  C  C    . GLY   A 12  ? 0.13859116 0.22992480 0.41001022 0.04775865  0.03056460  0.01851574  124 GLY   A C    
187  O  O    . GLY   A 12  ? 0.14428443 0.23604456 0.43258438 0.05052650  0.03904795  0.03752981  124 GLY   A O    
188  H  H    . GLY   A 12  ? 0.13187715 0.23115450 0.38620523 0.05570078  0.01627126  -0.00578643 124 GLY   A H    
189  H  HA2  . GLY   A 12  ? 0.13655826 0.23089682 0.39815491 0.04711814  0.02461126  0.00675990  124 GLY   A HA2  
190  H  HA3  . GLY   A 12  ? 0.13683300 0.23234452 0.39762822 0.04677291  0.02453905  0.00579809  124 GLY   A HA3  
191  N  N    . GLY   A 13  ? 0.12890998 0.22964966 0.40235761 0.04432743  0.04217648  0.01932061  125 GLY   A N    
192  C  CA   . GLY   A 13  ? 0.12492468 0.23418924 0.39551979 0.04258292  0.03836811  0.02047514  125 GLY   A CA   
193  C  C    . GLY   A 13  ? 0.12279484 0.23006135 0.39068311 0.03852177  0.03434943  0.02240733  125 GLY   A C    
194  O  O    . GLY   A 13  ? 0.14411600 0.27307916 0.38854152 0.03736857  0.01870904  0.03134780  125 GLY   A O    
195  H  H    . GLY   A 13  ? 0.12881319 0.22997001 0.40207908 0.04384146  0.03860153  0.01922283  125 GLY   A H    
196  H  HA2  . GLY   A 13  ? 0.12572625 0.23291907 0.39552179 0.04190069  0.03801040  0.01992762  125 GLY   A HA2  
197  H  HA3  . GLY   A 13  ? 0.12647751 0.23115455 0.39599645 0.04127944  0.03840903  0.02013147  125 GLY   A HA3  
198  N  N    . VAL   A 14  ? 0.11702598 0.19950664 0.37670198 0.02171790  0.03228122  0.02058585  126 VAL   A N    
199  C  CA   . VAL   A 14  ? 0.12502073 0.18404579 0.37006497 0.01082733  0.02378651  0.01878433  126 VAL   A CA   
200  C  C    . VAL   A 14  ? 0.13855249 0.17960244 0.36526781 0.00685278  0.02146459  0.01461447  126 VAL   A C    
201  O  O    . VAL   A 14  ? 0.15251043 0.17622249 0.36835760 0.01727934  0.01687448  0.00952487  126 VAL   A O    
202  C  CB   . VAL   A 14  ? 0.13255355 0.17545763 0.36808854 0.00178567  0.02343025  0.01871233  126 VAL   A CB   
203  C  CG1  . VAL   A 14  ? 0.13167836 0.17388418 0.36787370 0.00076317  0.02027704  0.01872516  126 VAL   A CG1  
204  C  CG2  . VAL   A 14  ? 0.13048539 0.17134275 0.36795682 -0.00000096 0.02286486  0.01946011  126 VAL   A CG2  
205  H  H    . VAL   A 14  ? 0.12013129 0.20192310 0.37782609 0.02298816  0.03054075  0.02063454  126 VAL   A H    
206  H  HA   . VAL   A 14  ? 0.12615997 0.18551582 0.36988175 0.01081330  0.02404507  0.01851248  126 VAL   A HA   
207  H  HB   . VAL   A 14  ? 0.13082229 0.17601635 0.36813951 0.00275948  0.02264683  0.01867472  126 VAL   A HB   
208  H  HG11 . VAL   A 14  ? 0.13176361 0.17448765 0.36800399 0.00116615  0.02119313  0.01874401  126 VAL   A HG11 
209  H  HG12 . VAL   A 14  ? 0.13145967 0.17439090 0.36784914 0.00112033  0.02097593  0.01876147  126 VAL   A HG12 
210  H  HG13 . VAL   A 14  ? 0.13185112 0.17447349 0.36796311 0.00102410  0.02113087  0.01879151  126 VAL   A HG13 
211  H  HG21 . VAL   A 14  ? 0.13099697 0.17230165 0.36795351 0.00051476  0.02315799  0.01917235  126 VAL   A HG21 
212  H  HG22 . VAL   A 14  ? 0.13092321 0.17188631 0.36791310 0.00001706  0.02340835  0.01921810  126 VAL   A HG22 
213  H  HG23 . VAL   A 14  ? 0.13093330 0.17261516 0.36801201 0.00063341  0.02320417  0.01924000  126 VAL   A HG23 
214  N  N    . VAL   A 15  ? 0.14769344 0.18155779 0.36408982 -0.00550924 0.01537791  0.01285922  127 VAL   A N    
215  C  CA   . VAL   A 15  ? 0.15776539 0.18535765 0.36680529 -0.00966083 0.02025521  0.01228184  127 VAL   A CA   
216  C  C    . VAL   A 15  ? 0.15066120 0.17999350 0.36917561 -0.01236711 0.02507646  0.00666949  127 VAL   A C    
217  O  O    . VAL   A 15  ? 0.15418327 0.16997103 0.36679468 -0.01140821 0.03160549  0.00017463  127 VAL   A O    
218  C  CB   . VAL   A 15  ? 0.16165289 0.19471161 0.37200338 -0.00520457 0.02126569  0.01104712  127 VAL   A CB   
219  C  CG1  . VAL   A 15  ? 0.16523981 0.19109771 0.37184447 -0.00459767 0.01770105  0.01468374  127 VAL   A CG1  
220  C  CG2  . VAL   A 15  ? 0.16909292 0.20005345 0.37605202 -0.00906508 0.02226309  0.01066456  127 VAL   A CG2  
221  H  H    . VAL   A 15  ? 0.14709134 0.18123782 0.36420900 -0.00374291 0.01758362  0.01250354  127 VAL   A H    
222  H  HA   . VAL   A 15  ? 0.15529414 0.18521933 0.36789823 -0.00831077 0.02069621  0.01111419  127 VAL   A HA   
223  H  HB   . VAL   A 15  ? 0.16289346 0.19318807 0.37158743 -0.00664006 0.02063455  0.01189567  127 VAL   A HB   
224  H  HG11 . VAL   A 15  ? 0.16405126 0.19188567 0.37213111 -0.00490663 0.01876060  0.01351499  127 VAL   A HG11 
225  H  HG12 . VAL   A 15  ? 0.16399752 0.19175462 0.37189010 -0.00496845 0.01876399  0.01365468  127 VAL   A HG12 
226  H  HG13 . VAL   A 15  ? 0.16417387 0.19209491 0.37193987 -0.00489629 0.01874359  0.01361507  127 VAL   A HG13 
227  H  HG21 . VAL   A 15  ? 0.16789500 0.19943175 0.37505981 -0.00893873 0.02187937  0.01093522  127 VAL   A HG21 
228  H  HG22 . VAL   A 15  ? 0.16746184 0.19862545 0.37534985 -0.00812362 0.02239276  0.01082125  127 VAL   A HG22 
229  H  HG23 . VAL   A 15  ? 0.16695450 0.19849214 0.37534678 -0.00824693 0.02193345  0.01067861  127 VAL   A HG23 
230  N  N    . PRO   A 16  ? 0.14717653 0.18800594 0.37277710 -0.01547164 0.02636444  0.00273317  128 PRO   A N    
231  C  CA   . PRO   A 16  ? 0.14991017 0.19046211 0.37585029 -0.01520426 0.02711417  0.00623164  128 PRO   A CA   
232  C  C    . PRO   A 16  ? 0.15139143 0.18591797 0.38208967 -0.01464106 0.02671751  0.01307346  128 PRO   A C    
233  O  O    . PRO   A 16  ? 0.15829562 0.19360405 0.38583890 -0.00393378 0.02242549  0.01146897  128 PRO   A O    
234  C  CB   . PRO   A 16  ? 0.15168695 0.19503158 0.37753117 -0.01806075 0.02737865  0.00335855  128 PRO   A CB   
235  C  CG   . PRO   A 16  ? 0.15320189 0.19631605 0.37648743 -0.01772214 0.02654949  0.00374143  128 PRO   A CG   
236  C  CD   . PRO   A 16  ? 0.15226100 0.19316967 0.37560263 -0.01548835 0.02495617  0.00130345  128 PRO   A CD   
237  H  HA   . PRO   A 16  ? 0.14994493 0.19003263 0.37667099 -0.01563871 0.02681287  0.00630231  128 PRO   A HA   
238  H  HB2  . PRO   A 16  ? 0.15172982 0.19505700 0.37699664 -0.01760504 0.02718874  0.00395715  128 PRO   A HB2  
239  H  HB3  . PRO   A 16  ? 0.15167792 0.19445221 0.37696353 -0.01740571 0.02711640  0.00407586  128 PRO   A HB3  
240  H  HG2  . PRO   A 16  ? 0.15285088 0.19572003 0.37652072 -0.01716600 0.02643451  0.00318277  128 PRO   A HG2  
241  H  HG3  . PRO   A 16  ? 0.15295129 0.19573253 0.37640792 -0.01776108 0.02638745  0.00308704  128 PRO   A HG3  
242  H  HD2  . PRO   A 16  ? 0.15155628 0.19272161 0.37518233 -0.01582110 0.02558595  0.00231143  128 PRO   A HD2  
243  H  HD3  . PRO   A 16  ? 0.15139921 0.19266970 0.37537929 -0.01590501 0.02564982  0.00213306  128 PRO   A HD3  
244  N  N    . ARG   A 17  ? 0.15620151 0.19541864 0.38219920 -0.01611537 0.02534723  0.01614432  129 ARG   A N    
245  C  CA   . ARG   A 17  ? 0.16207507 0.20925839 0.39033252 -0.01767711 0.02154996  0.01590234  129 ARG   A CA   
246  C  C    . ARG   A 17  ? 0.15315863 0.19737527 0.38729358 -0.01410409 0.01577298  0.01224050  129 ARG   A C    
247  O  O    . ARG   A 17  ? 0.16599841 0.20149681 0.38736990 -0.02146768 0.01612730  0.01731331  129 ARG   A O    
248  C  CB   . ARG   A 17  ? 0.19494666 0.21733584 0.40449190 -0.01267611 0.01924181  0.02015412  129 ARG   A CB   
249  C  CG   . ARG   A 17  ? 0.21584883 0.24385840 0.42323813 -0.01863788 0.02625353  0.02461658  129 ARG   A CG   
250  C  CD   . ARG   A 17  ? 0.25546110 0.25992337 0.44128835 -0.00774774 0.02535897  0.02950382  129 ARG   A CD   
251  N  NE   . ARG   A 17  ? 0.30620807 0.29872513 0.45998356 0.00371927  0.02668076  0.02235568  129 ARG   A NE   
252  C  CZ   . ARG   A 17  ? 0.34133244 0.32657787 0.48345044 0.02544976  0.02760863  0.02246798  129 ARG   A CZ   
253  N  NH1  . ARG   A 17  ? 0.35705552 0.34606391 0.49202567 0.03205377  0.02242146  0.02578960  129 ARG   A NH1  
254  N  NH2  . ARG   A 17  ? 0.36667603 0.35341424 0.49374232 0.02517572  0.03170498  0.01494796  129 ARG   A NH2  
255  H  H    . ARG   A 17  ? 0.15611415 0.19591697 0.38380727 -0.01602387 0.02488772  0.01518621  129 ARG   A H    
256  H  HA   . ARG   A 17  ? 0.16452900 0.20542757 0.39043894 -0.01582685 0.02078672  0.01602296  129 ARG   A HA   
257  H  HB2  . ARG   A 17  ? 0.19051284 0.22032861 0.40459186 -0.01502772 0.02128817  0.02006342  129 ARG   A HB2  
258  H  HB3  . ARG   A 17  ? 0.19040717 0.22022389 0.40449595 -0.01514914 0.02138482  0.02001285  129 ARG   A HB3  
259  H  HG2  . ARG   A 17  ? 0.21833138 0.24032176 0.42239323 -0.01505713 0.02411762  0.02489713  129 ARG   A HG2  
260  H  HG3  . ARG   A 17  ? 0.21845415 0.24020460 0.42220822 -0.01486210 0.02450933  0.02465501  129 ARG   A HG3  
261  H  HD2  . ARG   A 17  ? 0.25586218 0.26404047 0.44060966 -0.00766154 0.02584835  0.02679455  129 ARG   A HD2  
262  H  HD3  . ARG   A 17  ? 0.25479665 0.26331222 0.44010958 -0.00814222 0.02609042  0.02692321  129 ARG   A HD3  
263  H  HE   . ARG   A 17  ? 0.29920581 0.29382911 0.46056178 0.00542897  0.02688611  0.02374874  129 ARG   A HE   
264  H  HH11 . ARG   A 17  ? 0.35267341 0.34101617 0.48955414 0.02835777  0.02403525  0.02479818  129 ARG   A HH11 
265  H  HH12 . ARG   A 17  ? 0.35011229 0.33862716 0.49030903 0.02827783  0.02318406  0.02590629  129 ARG   A HH12 
266  H  HH21 . ARG   A 17  ? 0.36024171 0.34880510 0.49097469 0.02220112  0.03076528  0.01691943  129 ARG   A HH21 
267  H  HH22 . ARG   A 17  ? 0.35814795 0.34502774 0.49278355 0.02383522  0.03147366  0.01636281  129 ARG   A HH22 
268  N  N    . MET   A 18  ? 0.12639688 0.19699594 0.38412952 -0.02036652 0.01020927  0.00626390  130 MET   A N    
269  C  CA   . MET   A 18  ? 0.12133791 0.19890530 0.39121434 -0.02064145 0.00062021  -0.00134669 130 MET   A CA   
270  C  C    . MET   A 18  ? 0.12289608 0.19147982 0.39293316 -0.01186244 -0.00399788 -0.00533167 130 MET   A C    
271  O  O    . MET   A 18  ? 0.12912214 0.18301074 0.39632049 -0.01035937 0.00005719  -0.01528504 130 MET   A O    
272  C  CB   . MET   A 18  ? 0.12546678 0.23012276 0.39520168 -0.01891208 -0.00034868 0.00511631  130 MET   A CB   
273  C  CG   . MET   A 18  ? 0.13070709 0.26309723 0.40053508 -0.02368646 -0.00102106 0.01161213  130 MET   A CG   
274  S  SD   . MET   A 18  ? 0.15478848 0.34641251 0.40306169 -0.02075259 -0.01199066 0.02319667  130 MET   A SD   
275  C  CE   . MET   A 18  ? 0.16634794 0.33760110 0.40858629 -0.02322357 -0.00232037 0.01739299  130 MET   A CE   
276  H  H    . MET   A 18  ? 0.13057655 0.19764714 0.38559720 -0.01914843 0.00864757  0.00587614  130 MET   A H    
277  H  HA   . MET   A 18  ? 0.12396785 0.20238093 0.39158303 -0.01773816 0.00117767  0.00054246  130 MET   A HA   
278  H  HB2  . MET   A 18  ? 0.12571438 0.22946937 0.39526764 -0.02022905 -0.00014756 0.00521863  130 MET   A HB2  
279  H  HB3  . MET   A 18  ? 0.12511961 0.22859204 0.39524508 -0.01997077 -0.00039370 0.00495441  130 MET   A HB3  
280  H  HG2  . MET   A 18  ? 0.13298950 0.26500991 0.39936933 -0.02173597 -0.00257605 0.01140878  130 MET   A HG2  
281  H  HG3  . MET   A 18  ? 0.13316374 0.26656565 0.39952335 -0.02194786 -0.00254977 0.01179820  130 MET   A HG3  
282  H  HE1  . MET   A 18  ? 0.16486008 0.33935133 0.40829518 -0.02233250 -0.00466951 0.01856246  130 MET   A HE1  
283  H  HE2  . MET   A 18  ? 0.16418131 0.33868933 0.40743983 -0.02253489 -0.00455448 0.01811359  130 MET   A HE2  
284  H  HE3  . MET   A 18  ? 0.16581453 0.33946833 0.40832415 -0.02307697 -0.00410546 0.01764271  130 MET   A HE3  
285  N  N    . LEU   A 19  ? 0.12563208 0.18478693 0.39987034 -0.00925567 -0.00822459 -0.01187009 131 LEU   A N    
286  C  CA   . LEU   A 19  ? 0.12511274 0.19911107 0.40516329 -0.00787197 -0.00648593 -0.01637553 131 LEU   A CA   
287  C  C    . LEU   A 19  ? 0.10753974 0.20316671 0.41148740 -0.00369366 -0.00337585 -0.01898384 131 LEU   A C    
288  O  O    . LEU   A 19  ? 0.10633988 0.20719153 0.41824687 -0.00050872 -0.00894697 -0.01192242 131 LEU   A O    
289  C  CB   . LEU   A 19  ? 0.14860632 0.21864188 0.40925473 -0.01035001 -0.00971601 -0.01801802 131 LEU   A CB   
290  C  CG   . LEU   A 19  ? 0.18302095 0.22769102 0.41429779 -0.01364932 -0.01478492 -0.02078274 131 LEU   A CG   
291  C  CD1  . LEU   A 19  ? 0.19295099 0.23088534 0.41415873 -0.00846881 -0.01476340 -0.02257581 131 LEU   A CD1  
292  C  CD2  . LEU   A 19  ? 0.20421028 0.23656182 0.41851541 -0.00921430 -0.01752571 -0.02172220 131 LEU   A CD2  
293  H  H    . LEU   A 19  ? 0.12403820 0.18935280 0.39924735 -0.00919106 -0.00675414 -0.01107353 131 LEU   A H    
294  H  HA   . LEU   A 19  ? 0.12556987 0.20020109 0.40595910 -0.00747523 -0.00672253 -0.01627339 131 LEU   A HA   
295  H  HB2  . LEU   A 19  ? 0.15100323 0.21643378 0.40971622 -0.01048814 -0.00988944 -0.01796830 131 LEU   A HB2  
296  H  HB3  . LEU   A 19  ? 0.14970484 0.21572943 0.40943328 -0.01021999 -0.01002587 -0.01812613 131 LEU   A HB3  
297  H  HG   . LEU   A 19  ? 0.18092971 0.22747739 0.41388002 -0.01154287 -0.01405848 -0.02054011 131 LEU   A HG   
298  H  HD11 . LEU   A 19  ? 0.18913522 0.22976977 0.41424912 -0.00972644 -0.01465903 -0.02215074 131 LEU   A HD11 
299  H  HD12 . LEU   A 19  ? 0.18931767 0.22994509 0.41388476 -0.00960306 -0.01468584 -0.02208519 131 LEU   A HD12 
300  H  HD13 . LEU   A 19  ? 0.19054519 0.23097517 0.41433063 -0.00890893 -0.01513232 -0.02251431 131 LEU   A HD13 
301  H  HD21 . LEU   A 19  ? 0.20115791 0.23479304 0.41744629 -0.01139524 -0.01720290 -0.02141030 131 LEU   A HD21 
302  H  HD22 . LEU   A 19  ? 0.19953072 0.23582080 0.41777205 -0.00943518 -0.01749121 -0.02219401 131 LEU   A HD22 
303  H  HD23 . LEU   A 19  ? 0.19868264 0.23494627 0.41771927 -0.01051087 -0.01694729 -0.02112611 131 LEU   A HD23 
304  N  N    . ILE   A 20  ? 0.10514558 0.20198791 0.41335389 -0.00105425 0.00544135  -0.02271602 132 ILE   A N    
305  C  CA   . ILE   A 20  ? 0.11529376 0.19531192 0.41091359 0.00238128  0.01511586  -0.02879224 132 ILE   A CA   
306  C  C    . ILE   A 20  ? 0.11686020 0.19540973 0.40519887 0.00008450  0.01905237  -0.03025536 132 ILE   A C    
307  O  O    . ILE   A 20  ? 0.12207183 0.18634188 0.40784615 0.00239392  0.02218931  -0.03708549 132 ILE   A O    
308  C  CB   . ILE   A 20  ? 0.13758242 0.21576427 0.42290896 0.00889001  0.01278097  -0.02587145 132 ILE   A CB   
309  C  CG1  . ILE   A 20  ? 0.15736482 0.22713803 0.42760408 0.01811030  0.01004578  -0.02740046 132 ILE   A CG1  
310  C  CG2  . ILE   A 20  ? 0.15919992 0.23185799 0.43065721 0.00646988  0.01617898  -0.01618471 132 ILE   A CG2  
311  C  CD1  . ILE   A 20  ? 0.16727333 0.23454125 0.43291387 0.02577486  0.00310637  -0.02515472 132 ILE   A CD1  
312  H  H    . ILE   A 20  ? 0.10564585 0.20072295 0.41224506 -0.00069612 0.00524248  -0.02308583 132 ILE   A H    
313  H  HA   . ILE   A 20  ? 0.11513426 0.19966713 0.41212118 0.00314840  0.01382136  -0.02754035 132 ILE   A HA   
314  H  HB   . ILE   A 20  ? 0.13856760 0.21596763 0.42244396 0.00939496  0.01357113  -0.02510295 132 ILE   A HB   
315  H  HG12 . ILE   A 20  ? 0.15477845 0.22609548 0.42783037 0.01753143  0.00904323  -0.02660497 132 ILE   A HG12 
316  H  HG13 . ILE   A 20  ? 0.15420279 0.22637527 0.42765692 0.01714722  0.00928688  -0.02695467 132 ILE   A HG13 
317  H  HG21 . ILE   A 20  ? 0.15362428 0.22726925 0.42904997 0.00677716  0.01516630  -0.01902733 132 ILE   A HG21 
318  H  HG22 . ILE   A 20  ? 0.15746413 0.22764294 0.42869255 0.00573731  0.01466570  -0.01864613 132 ILE   A HG22 
319  H  HG23 . ILE   A 20  ? 0.15339223 0.22904730 0.42970085 0.00659934  0.01491766  -0.01732165 132 ILE   A HG23 
320  H  HD11 . ILE   A 20  ? 0.16518568 0.23265435 0.43241289 0.02386585  0.00405272  -0.02605886 132 ILE   A HD11 
321  H  HD12 . ILE   A 20  ? 0.16442524 0.23313454 0.43192697 0.02351817  0.00489049  -0.02514441 132 ILE   A HD12 
322  H  HD13 . ILE   A 20  ? 0.16422124 0.23260826 0.43031651 0.02356537  0.00496691  -0.02549092 132 ILE   A HD13 
323  N  N    . THR   A 21  ? 0.11478133 0.19497496 0.39582631 -0.00647949 0.02518759  -0.03343147 133 THR   A N    
324  C  CA   . THR   A 21  ? 0.11941106 0.19366096 0.38905469 -0.00708750 0.02782750  -0.03046380 133 THR   A CA   
325  C  C    . THR   A 21  ? 0.11011996 0.19013299 0.37978873 -0.00620938 0.03318566  -0.03216004 133 THR   A C    
326  O  O    . THR   A 21  ? 0.11488732 0.17979871 0.39260185 0.00960312  0.04005908  -0.03218576 133 THR   A O    
327  C  CB   . THR   A 21  ? 0.12002351 0.20275635 0.39451021 -0.00929577 0.02166239  -0.03004239 133 THR   A CB   
328  O  OG1  . THR   A 21  ? 0.12107600 0.21389528 0.40056902 -0.00904325 0.01300925  -0.02400030 133 THR   A OG1  
329  C  CG2  . THR   A 21  ? 0.12436140 0.20607874 0.39322913 -0.01078708 0.02367785  -0.02915734 133 THR   A CG2  
330  H  H    . THR   A 21  ? 0.11570634 0.19463320 0.39650142 -0.00461518 0.02453121  -0.03213525 133 THR   A H    
331  H  HA   . THR   A 21  ? 0.11763836 0.19473694 0.38943312 -0.00743285 0.02665944  -0.03110511 133 THR   A HA   
332  H  HB   . THR   A 21  ? 0.12031008 0.20366734 0.39430448 -0.00884713 0.02177620  -0.02891278 133 THR   A HB   
333  H  HG1  . THR   A 21  ? 0.25453147 0.25453147 0.25453147 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
334  H  HG21 . THR   A 21  ? 0.12327021 0.20517781 0.39379472 -0.01046331 0.02313927  -0.02950799 133 THR   A HG21 
335  H  HG22 . THR   A 21  ? 0.12367616 0.20523593 0.39373884 -0.01063374 0.02286797  -0.02933739 133 THR   A HG22 
336  H  HG23 . THR   A 21  ? 0.12318874 0.20510733 0.39361328 -0.01035851 0.02308081  -0.02946248 133 THR   A HG23 
337  N  N    . ILE   A 22  ? 0.11154824 0.18564810 0.36509207 -0.01034491 0.03132007  -0.02666622 134 ILE   A N    
338  C  CA   . ILE   A 22  ? 0.11476966 0.19369978 0.35551494 -0.01126515 0.03006321  -0.02420022 134 ILE   A CA   
339  C  C    . ILE   A 22  ? 0.10537645 0.19406356 0.35141033 -0.00992386 0.02505465  -0.02677551 134 ILE   A C    
340  O  O    . ILE   A 22  ? 0.10191572 0.19332828 0.35403904 -0.00973801 0.02286915  -0.03021919 134 ILE   A O    
341  C  CB   . ILE   A 22  ? 0.13024423 0.19617057 0.35696724 -0.00624491 0.03055859  -0.01787157 134 ILE   A CB   
342  C  CG1  . ILE   A 22  ? 0.15238781 0.21252075 0.36438662 -0.00931143 0.02569749  -0.01526430 134 ILE   A CG1  
343  C  CG2  . ILE   A 22  ? 0.13790247 0.19503607 0.35457942 -0.00553280 0.03015547  -0.01715362 134 ILE   A CG2  
344  C  CD1  . ILE   A 22  ? 0.16951230 0.22375055 0.37347651 -0.00332376 0.02640920  -0.01723859 134 ILE   A CD1  
345  H  H    . ILE   A 22  ? 0.11169206 0.18860699 0.36654377 -0.00953606 0.03157546  -0.02743544 134 ILE   A H    
346  H  HA   . ILE   A 22  ? 0.11483901 0.19293953 0.35715234 -0.00949277 0.02958390  -0.02423052 134 ILE   A HA   
347  H  HB   . ILE   A 22  ? 0.13053240 0.19804761 0.35687307 -0.00722438 0.03009944  -0.01886119 134 ILE   A HB   
348  H  HG12 . ILE   A 22  ? 0.15022768 0.21064425 0.36445060 -0.00730342 0.02707860  -0.01640785 134 ILE   A HG12 
349  H  HG13 . ILE   A 22  ? 0.15044519 0.21078970 0.36452547 -0.00738113 0.02718615  -0.01647457 134 ILE   A HG13 
350  H  HG21 . ILE   A 22  ? 0.13592453 0.19550201 0.35540271 -0.00580955 0.03015036  -0.01737360 134 ILE   A HG21 
351  H  HG22 . ILE   A 22  ? 0.13661811 0.19559813 0.35559919 -0.00592996 0.02981316  -0.01730052 134 ILE   A HG22 
352  H  HG23 . ILE   A 22  ? 0.13571250 0.19538531 0.35527551 -0.00582438 0.03012087  -0.01746049 134 ILE   A HG23 
353  H  HD11 . ILE   A 22  ? 0.16419089 0.22197846 0.37201166 -0.00330659 0.02502498  -0.01797001 134 ILE   A HD11 
354  H  HD12 . ILE   A 22  ? 0.16426389 0.22105545 0.37214151 -0.00447068 0.02659899  -0.01642644 134 ILE   A HD12 
355  H  HD13 . ILE   A 22  ? 0.16338089 0.22065200 0.37169108 -0.00519395 0.02668248  -0.01770623 134 ILE   A HD13 
356  N  N    . LEU   A 23  ? 0.09769461 0.19959067 0.34569269 -0.00302604 0.02323619  -0.02434146 135 LEU   A N    
357  C  CA   . LEU   A 23  ? 0.11675306 0.20497847 0.34632409 0.00161345  0.02008402  -0.02227775 135 LEU   A CA   
358  C  C    . LEU   A 23  ? 0.12467203 0.20019421 0.33839822 -0.00032637 0.02105811  -0.02761553 135 LEU   A C    
359  O  O    . LEU   A 23  ? 0.10156292 0.18806645 0.33931705 -0.00995747 0.02225254  -0.02410302 135 LEU   A O    
360  C  CB   . LEU   A 23  ? 0.12745734 0.22420791 0.35568705 0.00922698  0.01301952  -0.01591894 135 LEU   A CB   
361  C  CG   . LEU   A 23  ? 0.14444314 0.23567896 0.36298230 0.01370510  0.00909026  -0.00835346 135 LEU   A CG   
362  C  CD1  . LEU   A 23  ? 0.15261668 0.24660733 0.36420175 0.02157224  0.01104510  -0.00725866 135 LEU   A CD1  
363  C  CD2  . LEU   A 23  ? 0.12683344 0.23970550 0.36734271 0.02083861  0.00754149  -0.00412228 135 LEU   A CD2  
364  H  H    . LEU   A 23  ? 0.10247816 0.19897294 0.34624928 -0.00306973 0.02428565  -0.02507832 135 LEU   A H    
365  H  HA   . LEU   A 23  ? 0.11614599 0.20599145 0.34629977 0.00149699  0.01963996  -0.02266597 135 LEU   A HA   
366  H  HB2  . LEU   A 23  ? 0.12859455 0.22208223 0.35517162 0.00842021  0.01377820  -0.01574901 135 LEU   A HB2  
367  H  HB3  . LEU   A 23  ? 0.12838739 0.22198598 0.35506532 0.00851634  0.01408310  -0.01553946 135 LEU   A HB3  
368  H  HG   . LEU   A 23  ? 0.13917269 0.23599307 0.36251366 0.01559403  0.00990664  -0.00882311 135 LEU   A HG   
369  H  HD11 . LEU   A 23  ? 0.15026560 0.24385427 0.36430356 0.01938789  0.01055427  -0.00767625 135 LEU   A HD11 
370  H  HD12 . LEU   A 23  ? 0.15032332 0.24449463 0.36448067 0.01966045  0.01042217  -0.00807211 135 LEU   A HD12 
371  H  HD13 . LEU   A 23  ? 0.15070726 0.24443963 0.36474711 0.02000467  0.01108719  -0.00691980 135 LEU   A HD13 
372  H  HD21 . LEU   A 23  ? 0.12848356 0.23722008 0.36520028 0.01949680  0.00686791  -0.00524024 135 LEU   A HD21 
373  H  HD22 . LEU   A 23  ? 0.13143705 0.23879196 0.36629963 0.01929439  0.00804324  -0.00489372 135 LEU   A HD22 
374  H  HD23 . LEU   A 23  ? 0.13125561 0.23861711 0.36604792 0.01906174  0.00774878  -0.00543406 135 LEU   A HD23 
375  N  N    . GLY   A 24  ? 0.13673940 0.19965827 0.34025732 -0.01026135 0.02823981  -0.03407828 136 GLY   A N    
376  C  CA   . GLY   A 24  ? 0.15460467 0.20047897 0.34983101 -0.01325384 0.03368895  -0.03756647 136 GLY   A CA   
377  C  C    . GLY   A 24  ? 0.16268030 0.20011938 0.35726738 -0.02043459 0.03485274  -0.04379355 136 GLY   A C    
378  O  O    . GLY   A 24  ? 0.19332603 0.20773891 0.36372331 -0.02161327 0.04585558  -0.04819389 136 GLY   A O    
379  H  H    . GLY   A 24  ? 0.13691536 0.20004779 0.34130609 -0.00845719 0.02818783  -0.03308661 136 GLY   A H    
380  H  HA2  . GLY   A 24  ? 0.15370987 0.20046957 0.34923595 -0.01400480 0.03226495  -0.03796897 136 GLY   A HA2  
381  H  HA3  . GLY   A 24  ? 0.15240353 0.20052992 0.34965217 -0.01400216 0.03267748  -0.03813420 136 GLY   A HA3  
382  N  N    . THR   A 25  ? 0.16991839 0.20442623 0.36694363 -0.02056080 0.03013786  -0.03625864 137 THR   A N    
383  C  CA   . THR   A 25  ? 0.16797474 0.20654464 0.37585229 -0.02154746 0.02668441  -0.03933259 137 THR   A CA   
384  C  C    . THR   A 25  ? 0.16840911 0.20885593 0.38007095 -0.01994707 0.02602421  -0.04208970 137 THR   A C    
385  O  O    . THR   A 25  ? 0.16298276 0.22094031 0.37918290 -0.01223421 0.02498049  -0.03686647 137 THR   A O    
386  C  CB   . THR   A 25  ? 0.18393300 0.20796502 0.38792869 -0.02517871 0.01685159  -0.03784614 137 THR   A CB   
387  O  OG1  . THR   A 25  ? 0.20736033 0.22815275 0.39512992 -0.02176270 0.00785722  -0.02999937 137 THR   A OG1  
388  C  CG2  . THR   A 25  ? 0.19153678 0.20011653 0.39068004 -0.03078492 0.01478339  -0.03617136 137 THR   A CG2  
389  H  H    . THR   A 25  ? 0.16753310 0.20381531 0.36657789 -0.02061535 0.03041868  -0.03882797 137 THR   A H    
390  H  HA   . THR   A 25  ? 0.17036435 0.20650448 0.37565166 -0.02169194 0.02586353  -0.03866002 137 THR   A HA   
391  H  HB   . THR   A 25  ? 0.18639040 0.20979464 0.38729221 -0.02492891 0.01677934  -0.03630492 137 THR   A HB   
392  H  HG1  . THR   A 25  ? 0.29887214 0.29887214 0.29887214 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
393  H  HG21 . THR   A 25  ? 0.18929210 0.20245928 0.38986075 -0.02904746 0.01536161  -0.03666902 137 THR   A HG21 
394  H  HG22 . THR   A 25  ? 0.18921980 0.20248023 0.38980964 -0.02889406 0.01513148  -0.03668350 137 THR   A HG22 
395  H  HG23 . THR   A 25  ? 0.18920210 0.20249733 0.38983032 -0.02903446 0.01540358  -0.03670766 137 THR   A HG23 
396  N  N    . VAL   A 26  ? 0.16226040 0.20539081 0.38422188 -0.02159946 0.02189047  -0.04899362 138 VAL   A N    
397  C  CA   . VAL   A 26  ? 0.16400807 0.21376920 0.38968998 -0.02201021 0.01273821  -0.05515611 138 VAL   A CA   
398  C  C    . VAL   A 26  ? 0.18137468 0.21075568 0.40794918 -0.02150574 0.00709203  -0.06207690 138 VAL   A C    
399  O  O    . VAL   A 26  ? 0.18689768 0.22816224 0.40253887 -0.02661119 -0.00116156 -0.05213212 138 VAL   A O    
400  C  CB   . VAL   A 26  ? 0.16635834 0.22124542 0.38902920 -0.01665648 0.01382610  -0.05950690 138 VAL   A CB   
401  C  CG1  . VAL   A 26  ? 0.16941735 0.22664931 0.38635519 -0.01408879 0.01163673  -0.06178944 138 VAL   A CG1  
402  C  CG2  . VAL   A 26  ? 0.16874766 0.22361620 0.39268243 -0.01875540 0.01280607  -0.05853110 138 VAL   A CG2  
403  H  H    . VAL   A 26  ? 0.16418704 0.20829812 0.38402998 -0.02128790 0.02093595  -0.04862439 138 VAL   A H    
404  H  HA   . VAL   A 26  ? 0.16746116 0.21291596 0.39132717 -0.02085740 0.01370601  -0.05606947 138 VAL   A HA   
405  H  HB   . VAL   A 26  ? 0.16696061 0.22130130 0.38911048 -0.01728509 0.01280078  -0.05887882 138 VAL   A HB   
406  H  HG11 . VAL   A 26  ? 0.16889413 0.22519284 0.38693273 -0.01466548 0.01208061  -0.06121279 138 VAL   A HG11 
407  H  HG12 . VAL   A 26  ? 0.16978692 0.22587280 0.38851282 -0.01403019 0.01162686  -0.06085239 138 VAL   A HG12 
408  H  HG13 . VAL   A 26  ? 0.16922429 0.22522098 0.38745496 -0.01468917 0.01196864  -0.06106282 138 VAL   A HG13 
409  H  HG21 . VAL   A 26  ? 0.16877894 0.22292507 0.39168447 -0.01827269 0.01291176  -0.05872046 138 VAL   A HG21 
410  H  HG22 . VAL   A 26  ? 0.16840577 0.22277102 0.39137229 -0.01843631 0.01320392  -0.05866079 138 VAL   A HG22 
411  H  HG23 . VAL   A 26  ? 0.16825138 0.22298796 0.39204559 -0.01821287 0.01309728  -0.05854991 138 VAL   A HG23 
412  N  N    . LYS   A 27  ? 0.19277374 0.21738568 0.42301837 -0.02160914 0.00213836  -0.06232413 139 LYS   A N    
413  C  CA   . LYS   A 27  ? 0.20771486 0.22948325 0.45345739 -0.03243856 -0.00443938 -0.05943081 139 LYS   A CA   
414  C  C    . LYS   A 27  ? 0.21907321 0.23369071 0.47714937 -0.02755420 -0.01019005 -0.06542361 139 LYS   A C    
415  O  O    . LYS   A 27  ? 0.20856097 0.23332810 0.46997330 -0.01539754 -0.01988077 -0.07210546 139 LYS   A O    
416  C  CB   . LYS   A 27  ? 0.22800298 0.25354615 0.46319491 -0.03167033 -0.00160442 -0.04979594 139 LYS   A CB   
417  C  CG   . LYS   A 27  ? 0.25001034 0.27509174 0.47250080 -0.02442551 0.00761034  -0.04466055 139 LYS   A CG   
418  C  CD   . LYS   A 27  ? 0.28091031 0.30448562 0.48486838 -0.02175117 0.00597481  -0.03359067 139 LYS   A CD   
419  C  CE   . LYS   A 27  ? 0.29871604 0.32473627 0.49527371 -0.01673946 0.01324910  -0.02951566 139 LYS   A CE   
420  N  NZ   . LYS   A 27  ? 0.31940529 0.33908495 0.50762868 -0.01866725 0.01223986  -0.01827988 139 LYS   A NZ   
421  H  H    . LYS   A 27  ? 0.19258238 0.21816315 0.42451167 -0.02399873 0.00190180  -0.06176676 139 LYS   A H    
422  H  HA   . LYS   A 27  ? 0.20886454 0.23155180 0.45253533 -0.02906895 -0.00410213 -0.05947040 139 LYS   A HA   
423  H  HB2  . LYS   A 27  ? 0.22709143 0.25189826 0.46261531 -0.03026696 -0.00045277 -0.05104265 139 LYS   A HB2  
424  H  HB3  . LYS   A 27  ? 0.22736420 0.25232106 0.46301791 -0.03010336 -0.00050363 -0.05120360 139 LYS   A HB3  
425  H  HG2  . LYS   A 27  ? 0.25121754 0.27537659 0.47278184 -0.02561381 0.00558058  -0.04355940 139 LYS   A HG2  
426  H  HG3  . LYS   A 27  ? 0.25012296 0.27540439 0.47214657 -0.02527381 0.00526060  -0.04335801 139 LYS   A HG3  
427  H  HD2  . LYS   A 27  ? 0.27731293 0.30157989 0.48409650 -0.02117248 0.00833089  -0.03531975 139 LYS   A HD2  
428  H  HD3  . LYS   A 27  ? 0.27709132 0.30317038 0.48394185 -0.02061119 0.00812897  -0.03510553 139 LYS   A HD3  
429  H  HE2  . LYS   A 27  ? 0.29930434 0.32298219 0.49556082 -0.01829753 0.01180622  -0.02791438 139 LYS   A HE2  
430  H  HE3  . LYS   A 27  ? 0.29814038 0.32376322 0.49475971 -0.01758687 0.01154704  -0.02750219 139 LYS   A HE3  
431  H  HZ1  . LYS   A 27  ? 0.31413653 0.33780274 0.50422114 -0.01731063 0.01276694  -0.02093620 139 LYS   A HZ1  
432  H  HZ2  . LYS   A 27  ? 0.31512430 0.33548272 0.50487876 -0.01837906 0.01358754  -0.02153700 139 LYS   A HZ2  
433  H  HZ3  . LYS   A 27  ? 0.31559777 0.33655083 0.50490719 -0.01964448 0.01136913  -0.02050726 139 LYS   A HZ3  
434  N  N    . PRO   A 28  ? 0.23490116 0.23869260 0.51440364 -0.03566406 -0.01810258 -0.07044984 140 PRO   A N    
435  C  CA   . PRO   A 28  ? 0.25687483 0.23152964 0.53504211 -0.03834939 -0.01895703 -0.07416763 140 PRO   A CA   
436  C  C    . PRO   A 28  ? 0.28277963 0.22571118 0.55839574 -0.03960605 -0.02660573 -0.06803085 140 PRO   A C    
437  O  O    . PRO   A 28  ? 0.31377515 0.25541797 0.57216448 -0.05137844 -0.02965076 -0.06538393 140 PRO   A O    
438  C  CB   . PRO   A 28  ? 0.25259644 0.23833959 0.53256005 -0.03744830 -0.02061945 -0.07130717 140 PRO   A CB   
439  C  CG   . PRO   A 28  ? 0.24993250 0.24874799 0.52698141 -0.03721891 -0.02430280 -0.07013248 140 PRO   A CG   
440  C  CD   . PRO   A 28  ? 0.23748536 0.24841133 0.52098143 -0.03123510 -0.02303481 -0.07003742 140 PRO   A CD   
441  H  HA   . PRO   A 28  ? 0.25608721 0.23327212 0.53426504 -0.03763698 -0.02044011 -0.07181630 140 PRO   A HA   
442  H  HB2  . PRO   A 28  ? 0.25309205 0.23865093 0.53199285 -0.03752161 -0.02113898 -0.07150823 140 PRO   A HB2  
443  H  HB3  . PRO   A 28  ? 0.25297683 0.23907417 0.53210390 -0.03758016 -0.02109960 -0.07164692 140 PRO   A HB3  
444  H  HG2  . PRO   A 28  ? 0.24774350 0.24654761 0.52708477 -0.03576387 -0.02330657 -0.07059871 140 PRO   A HG2  
445  H  HG3  . PRO   A 28  ? 0.24768230 0.24636753 0.52690279 -0.03586776 -0.02320224 -0.07041788 140 PRO   A HG3  
446  H  HD2  . PRO   A 28  ? 0.23934038 0.24604228 0.52036047 -0.03351376 -0.02209462 -0.06991781 140 PRO   A HD2  
447  H  HD3  . PRO   A 28  ? 0.23917471 0.24574938 0.51998270 -0.03335457 -0.02213482 -0.06982662 140 PRO   A HD3  
448  N  N    . ASN   A 29  ? 0.30713591 0.23399189 0.58197701 -0.02385243 -0.02137409 -0.07115015 141 ASN   A N    
449  C  CA   . ASN   A 29  ? 0.32881281 0.25997093 0.58683556 -0.01133160 -0.02826117 -0.06060957 141 ASN   A CA   
450  C  C    . ASN   A 29  ? 0.29955956 0.23550081 0.57437915 -0.00275251 -0.03076420 -0.04985737 141 ASN   A C    
451  O  O    . ASN   A 29  ? 0.30596510 0.23366860 0.57460678 -0.00478530 -0.03237443 -0.04983049 141 ASN   A O    
452  C  CB   . ASN   A 29  ? 0.36320826 0.27420828 0.61258227 -0.02033134 -0.02464407 -0.05278841 141 ASN   A CB   
453  C  CG   . ASN   A 29  ? 0.40724537 0.29953369 0.62742579 -0.02572461 -0.02551121 -0.05988191 141 ASN   A CG   
454  O  OD1  . ASN   A 29  ? 0.42228481 0.36355141 0.66318178 -0.03937736 -0.02188896 -0.04063472 141 ASN   A OD1  
455  N  ND2  . ASN   A 29  ? 0.43711045 0.31331709 0.63776088 -0.01987932 -0.01717319 -0.05983054 141 ASN   A ND2  
456  H  H    . ASN   A 29  ? 0.30447972 0.23704502 0.57761896 -0.02525280 -0.02464813 -0.06833099 141 ASN   A H    
457  H  HA   . ASN   A 29  ? 0.32616851 0.25256485 0.58827317 -0.01411014 -0.02735244 -0.05912666 141 ASN   A HA   
458  H  HB2  . ASN   A 29  ? 0.36342824 0.27568316 0.60915017 -0.01959077 -0.02621794 -0.05596372 141 ASN   A HB2  
459  H  HB3  . ASN   A 29  ? 0.36352870 0.27570298 0.60907143 -0.01939075 -0.02572562 -0.05618973 141 ASN   A HB3  
460  H  HD21 . ASN   A 29  ? 0.43114021 0.30924055 0.63400102 -0.01850278 -0.02054544 -0.05976741 141 ASN   A HD21 
461  H  HD22 . ASN   A 29  ? 0.42889538 0.31049064 0.63671297 -0.02020711 -0.01878798 -0.05805621 141 ASN   A HD22 
462  N  N    . ALA   A 30  ? 0.27196643 0.22605859 0.54813015 0.00890586  -0.03402966 -0.05488927 142 ALA   A N    
463  C  CA   . ALA   A 30  ? 0.23197243 0.21076392 0.53113723 0.02332198  -0.03041430 -0.05105112 142 ALA   A CA   
464  C  C    . ALA   A 30  ? 0.21710439 0.19535013 0.52042711 0.02843026  -0.02109453 -0.05274247 142 ALA   A C    
465  O  O    . ALA   A 30  ? 0.20793711 0.19669126 0.51360840 0.02508953  -0.02893140 -0.06411964 142 ALA   A O    
466  C  CB   . ALA   A 30  ? 0.23271911 0.21355006 0.52662945 0.02724576  -0.02899962 -0.05023563 142 ALA   A CB   
467  H  H    . ALA   A 30  ? 0.26847625 0.22450086 0.54955482 0.00934645  -0.03232238 -0.05295087 142 ALA   A H    
468  H  HA   . ALA   A 30  ? 0.23586562 0.21070504 0.53097492 0.02255243  -0.02889619 -0.05180017 142 ALA   A HA   
469  H  HB1  . ALA   A 30  ? 0.23175022 0.21309331 0.52595282 0.02541778  -0.02881729 -0.05066361 142 ALA   A HB1  
470  H  HB2  . ALA   A 30  ? 0.23222588 0.21286115 0.52737337 0.02594373  -0.02912575 -0.05046876 142 ALA   A HB2  
471  H  HB3  . ALA   A 30  ? 0.23234390 0.21307598 0.52769917 0.02603374  -0.02914652 -0.05026763 142 ALA   A HB3  
472  N  N    . ASN   A 31  ? 0.19809549 0.18491977 0.51240718 0.03485703  -0.02303184 -0.04255829 143 ASN   A N    
473  C  CA   . ASN   A 31  ? 0.19672792 0.19376463 0.51093984 0.03572594  -0.01749983 -0.03474248 143 ASN   A CA   
474  C  C    . ASN   A 31  ? 0.18023036 0.18750763 0.49721849 0.03576440  -0.01294205 -0.03201832 143 ASN   A C    
475  O  O    . ASN   A 31  ? 0.17308098 0.17006606 0.50066704 0.03387618  -0.02218725 -0.02517505 143 ASN   A O    
476  C  CB   . ASN   A 31  ? 0.21597418 0.21445486 0.51711637 0.03683177  -0.01343441 -0.02432049 143 ASN   A CB   
477  C  CG   . ASN   A 31  ? 0.24530418 0.22281009 0.53179735 0.03071962  -0.00847176 -0.02404888 143 ASN   A CG   
478  O  OD1  . ASN   A 31  ? 0.30677441 0.23772697 0.53550029 0.03116303  0.00070516  -0.03130770 143 ASN   A OD1  
479  N  ND2  . ASN   A 31  ? 0.26842999 0.25014913 0.54017395 0.01932531  -0.00258811 -0.01624055 143 ASN   A ND2  
480  H  H    . ASN   A 31  ? 0.20131850 0.18966222 0.51295817 0.03352597  -0.02056913 -0.04318155 143 ASN   A H    
481  H  HA   . ASN   A 31  ? 0.19773905 0.19449578 0.50980878 0.03564989  -0.01692976 -0.03417643 143 ASN   A HA   
482  H  HB2  . ASN   A 31  ? 0.21752551 0.21136113 0.51868600 0.03516934  -0.01310280 -0.02673141 143 ASN   A HB2  
483  H  HB3  . ASN   A 31  ? 0.21662070 0.21095122 0.51836956 0.03519215  -0.01354354 -0.02679064 143 ASN   A HB3  
484  H  HD21 . ASN   A 31  ? 0.26159647 0.24357572 0.53943044 0.02195594  -0.00639451 -0.01661801 143 ASN   A HD21 
485  H  HD22 . ASN   A 31  ? 0.26172131 0.24644436 0.53798825 0.02419291  -0.00465878 -0.01757945 143 ASN   A HD22 
486  N  N    . ARG   A 32  ? 0.16787383 0.17617571 0.48368430 0.02536030  -0.01406404 -0.03843932 144 ARG   A N    
487  C  CA   . ARG   A 32  ? 0.16587412 0.17614393 0.47762460 0.02502272  -0.00881706 -0.04280614 144 ARG   A CA   
488  C  C    . ARG   A 32  ? 0.13808899 0.17059433 0.45635280 0.01448420  -0.00233744 -0.04879736 144 ARG   A C    
489  O  O    . ARG   A 32  ? 0.14719144 0.17217574 0.46681952 -0.00296394 0.00200673  -0.05025715 144 ARG   A O    
490  C  CB   . ARG   A 32  ? 0.19824213 0.19566572 0.48598582 0.02108282  -0.01563725 -0.04511563 144 ARG   A CB   
491  C  CG   . ARG   A 32  ? 0.23322281 0.22246836 0.49790114 0.02062098  -0.00910322 -0.04006469 144 ARG   A CG   
492  C  CD   . ARG   A 32  ? 0.26536375 0.25654638 0.50888205 0.01833477  -0.00992522 -0.03605399 144 ARG   A CD   
493  N  NE   . ARG   A 32  ? 0.30554458 0.29240716 0.52301311 0.01029886  0.00103986  -0.03120833 144 ARG   A NE   
494  C  CZ   . ARG   A 32  ? 0.33000562 0.31325197 0.53184593 0.00878213  -0.00048209 -0.02506871 144 ARG   A CZ   
495  N  NH1  . ARG   A 32  ? 0.33931583 0.32204682 0.53687865 0.01870354  -0.00338367 -0.02828252 144 ARG   A NH1  
496  N  NH2  . ARG   A 32  ? 0.34078047 0.32848465 0.54173267 0.00322863  0.00684476  -0.02377940 144 ARG   A NH2  
497  H  H    . ARG   A 32  ? 0.16784176 0.17872560 0.48556280 0.02728123  -0.01274036 -0.03809993 144 ARG   A H    
498  H  HA   . ARG   A 32  ? 0.16567695 0.17812163 0.47523767 0.02256577  -0.00991181 -0.04340453 144 ARG   A HA   
499  H  HB2  . ARG   A 32  ? 0.19686586 0.19483952 0.48604533 0.02128233  -0.01280771 -0.04397452 144 ARG   A HB2  
500  H  HB3  . ARG   A 32  ? 0.19745435 0.19626221 0.48623323 0.02136796  -0.01260634 -0.04357449 144 ARG   A HB3  
501  H  HG2  . ARG   A 32  ? 0.23035513 0.22298160 0.49700785 0.02078077  -0.01058161 -0.03990042 144 ARG   A HG2  
502  H  HG3  . ARG   A 32  ? 0.23013934 0.22252330 0.49643749 0.01970707  -0.01079715 -0.04022984 144 ARG   A HG3  
503  H  HD2  . ARG   A 32  ? 0.26554877 0.25543606 0.50902945 0.01731177  -0.00725260 -0.03583889 144 ARG   A HD2  
504  H  HD3  . ARG   A 32  ? 0.26531327 0.25509694 0.50893176 0.01720815  -0.00732053 -0.03595073 144 ARG   A HD3  
505  H  HE   . ARG   A 32  ? 0.30380571 0.28737655 0.52200395 0.01209887  -0.00027899 -0.03093322 144 ARG   A HE   
506  H  HH11 . ARG   A 32  ? 0.33666706 0.31925157 0.53603792 0.01544404  -0.00250863 -0.02714989 144 ARG   A HH11 
507  H  HH12 . ARG   A 32  ? 0.33743694 0.31872147 0.53571916 0.01561058  -0.00321215 -0.02707567 144 ARG   A HH12 
508  H  HH21 . ARG   A 32  ? 0.33789983 0.32349709 0.54013175 0.00515014  0.00484462  -0.02460185 144 ARG   A HH21 
509  H  HH22 . ARG   A 32  ? 0.33969605 0.32300204 0.53938234 0.00500857  0.00597909  -0.02445032 144 ARG   A HH22 
510  N  N    . ILE   A 33  ? 0.11061133 0.16673413 0.43399605 0.02086227  0.00011766  -0.04779467 145 ILE   A N    
511  C  CA   . ILE   A 33  ? 0.11236289 0.16257195 0.42098889 0.01902582  -0.00286261 -0.04601411 145 ILE   A CA   
512  C  C    . ILE   A 33  ? 0.10138205 0.16581409 0.40996075 0.01589285  0.00132295  -0.03958557 145 ILE   A C    
513  O  O    . ILE   A 33  ? 0.09899825 0.16069704 0.40715984 0.00903188  0.00319360  -0.03047816 145 ILE   A O    
514  C  CB   . ILE   A 33  ? 0.13879618 0.17708980 0.42472702 0.02237060  -0.00672628 -0.04844637 145 ILE   A CB   
515  C  CG1  . ILE   A 33  ? 0.15218617 0.19099924 0.42586032 0.01960356  -0.01170345 -0.04993799 145 ILE   A CG1  
516  C  CG2  . ILE   A 33  ? 0.14676744 0.17982973 0.42586133 0.02875332  -0.00856578 -0.04759429 145 ILE   A CG2  
517  C  CD1  . ILE   A 33  ? 0.15896083 0.19526964 0.42787167 0.02081274  -0.01479386 -0.04780146 145 ILE   A CD1  
518  H  H    . ILE   A 33  ? 0.11223279 0.16664483 0.43582124 0.01845502  -0.00012345 -0.04735752 145 ILE   A H    
519  H  HA   . ILE   A 33  ? 0.11385607 0.16650745 0.42193297 0.01887498  -0.00166330 -0.04533648 145 ILE   A HA   
520  H  HB   . ILE   A 33  ? 0.13776314 0.17713973 0.42446327 0.02254869  -0.00741751 -0.04814464 145 ILE   A HB   
521  H  HG12 . ILE   A 33  ? 0.15161924 0.18944815 0.42579645 0.02043586  -0.01129688 -0.04888519 145 ILE   A HG12 
522  H  HG13 . ILE   A 33  ? 0.15093356 0.19055702 0.42600989 0.01962827  -0.01122484 -0.04899043 145 ILE   A HG13 
523  H  HG21 . ILE   A 33  ? 0.14483668 0.17933980 0.42562968 0.02694784  -0.00815265 -0.04771285 145 ILE   A HG21 
524  H  HG22 . ILE   A 33  ? 0.14583689 0.17927130 0.42593974 0.02728907  -0.00865364 -0.04786932 145 ILE   A HG22 
525  H  HG23 . ILE   A 33  ? 0.14455141 0.17961176 0.42582604 0.02723945  -0.00766651 -0.04721170 145 ILE   A HG23 
526  H  HD11 . ILE   A 33  ? 0.15849964 0.19424656 0.42746601 0.02072714  -0.01423462 -0.04844556 145 ILE   A HD11 
527  H  HD12 . ILE   A 33  ? 0.15744296 0.19455901 0.42760515 0.02070171  -0.01374077 -0.04809311 145 ILE   A HD12 
528  H  HD13 . ILE   A 33  ? 0.15741746 0.19452564 0.42736045 0.02028626  -0.01380748 -0.04843070 145 ILE   A HD13 
529  N  N    . ALA   A 34  ? 0.09258621 0.16310723 0.40180501 0.00548607  0.00592643  -0.03967975 146 ALA   A N    
530  C  CA   . ALA   A 34  ? 0.08640162 0.16766915 0.39631599 0.00140460  0.00797426  -0.03653801 146 ALA   A CA   
531  C  C    . ALA   A 34  ? 0.06889949 0.17435682 0.39092454 0.00172183  0.00996147  -0.03300008 146 ALA   A C    
532  O  O    . ALA   A 34  ? 0.06745332 0.16708098 0.39190042 -0.01311384 0.00947667  -0.03510053 146 ALA   A O    
533  C  CB   . ALA   A 34  ? 0.09625921 0.17507686 0.39843306 0.00472536  0.00665319  -0.03672799 146 ALA   A CB   
534  H  H    . ALA   A 34  ? 0.09239718 0.16482511 0.40256810 0.00703400  0.00527017  -0.03899442 146 ALA   A H    
535  H  HA   . ALA   A 34  ? 0.08568969 0.16944312 0.39624199 0.00280536  0.00776004  -0.03620684 146 ALA   A HA   
536  H  HB1  . ALA   A 34  ? 0.09464026 0.17371252 0.39807755 0.00347280  0.00692107  -0.03641409 146 ALA   A HB1  
537  H  HB2  . ALA   A 34  ? 0.09536715 0.17351541 0.39837325 0.00416734  0.00631882  -0.03668568 146 ALA   A HB2  
538  H  HB3  . ALA   A 34  ? 0.09413093 0.17371203 0.39831907 0.00412637  0.00717469  -0.03615139 146 ALA   A HB3  
539  N  N    . LEU   A 35  ? 0.07147598 0.18357772 0.38203904 -0.00445847 0.00720015  -0.02953229 147 LEU   A N    
540  C  CA   . LEU   A 35  ? 0.08211628 0.18769388 0.37903395 -0.00194934 0.00899776  -0.02628543 147 LEU   A CA   
541  C  C    . LEU   A 35  ? 0.08265828 0.18872711 0.37410507 -0.00110483 0.00812208  -0.02352183 147 LEU   A C    
542  O  O    . LEU   A 35  ? 0.08056713 0.19356048 0.37196383 -0.00382532 0.01049607  -0.02213031 147 LEU   A O    
543  C  CB   . LEU   A 35  ? 0.10301171 0.20080440 0.38317484 0.00012132  0.00989011  -0.02107202 147 LEU   A CB   
544  C  CG   . LEU   A 35  ? 0.13821214 0.21639301 0.38587362 -0.00029532 0.00751365  -0.02046568 147 LEU   A CG   
545  C  CD1  . LEU   A 35  ? 0.14535362 0.22540548 0.38954258 -0.00140276 0.00644577  -0.01869532 147 LEU   A CD1  
546  C  CD2  . LEU   A 35  ? 0.14396951 0.22882439 0.39220849 -0.00454875 0.00763717  -0.01788313 147 LEU   A CD2  
547  H  H    . LEU   A 35  ? 0.07299014 0.18205254 0.38360757 -0.00230114 0.00846534  -0.02976282 147 LEU   A H    
548  H  HA   . LEU   A 35  ? 0.08240949 0.18932489 0.37946379 -0.00217818 0.00904557  -0.02557992 147 LEU   A HA   
549  H  HB2  . LEU   A 35  ? 0.10322618 0.20026305 0.38205886 -0.00062610 0.00930002  -0.02206283 147 LEU   A HB2  
550  H  HB3  . LEU   A 35  ? 0.10468217 0.20055497 0.38245577 -0.00044328 0.00906593  -0.02220641 147 LEU   A HB3  
551  H  HG   . LEU   A 35  ? 0.13282059 0.21656346 0.38702387 -0.00111571 0.00783727  -0.01992445 147 LEU   A HG   
552  H  HD11 . LEU   A 35  ? 0.14486818 0.22301432 0.38857833 -0.00107236 0.00650118  -0.01909372 147 LEU   A HD11 
553  H  HD12 . LEU   A 35  ? 0.14329268 0.22288737 0.38876125 -0.00115030 0.00686933  -0.01898521 147 LEU   A HD12 
554  H  HD13 . LEU   A 35  ? 0.14376923 0.22420089 0.38868189 -0.00167348 0.00653815  -0.01867431 147 LEU   A HD13 
555  H  HD21 . LEU   A 35  ? 0.14140198 0.22550185 0.39079794 -0.00335117 0.00746398  -0.01902780 147 LEU   A HD21 
556  H  HD22 . LEU   A 35  ? 0.14231989 0.22705272 0.39094222 -0.00431893 0.00710724  -0.01792590 147 LEU   A HD22 
557  H  HD23 . LEU   A 35  ? 0.14221084 0.22553211 0.39116582 -0.00339444 0.00779207  -0.01841800 147 LEU   A HD23 
558  N  N    . ASP   A 36  ? 0.07903276 0.18575832 0.36652464 -0.00825534 0.01133497  -0.01908686 148 ASP   A N    
559  C  CA   . ASP   A 36  ? 0.08994281 0.18985239 0.36484227 -0.00104702 0.00752908  -0.01943247 148 ASP   A CA   
560  C  C    . ASP   A 36  ? 0.08657830 0.18255542 0.34831095 -0.00231985 0.01280362  -0.01447094 148 ASP   A C    
561  O  O    . ASP   A 36  ? 0.07939111 0.17373571 0.34797010 -0.00199505 0.01304780  -0.02024854 148 ASP   A O    
562  C  CB   . ASP   A 36  ? 0.11010154 0.20308125 0.38046527 -0.00548824 0.00479771  -0.01314620 148 ASP   A CB   
563  C  CG   . ASP   A 36  ? 0.13080344 0.21058123 0.40146023 -0.00111208 0.00357706  -0.01254044 148 ASP   A CG   
564  O  OD1  . ASP   A 36  ? 0.13449174 0.23552817 0.42083833 -0.00007422 0.00313084  -0.01800516 148 ASP   A OD1  
565  O  OD2  . ASP   A 36  ? 0.16141939 0.22932704 0.42478555 -0.01148273 -0.01085289 -0.01439792 148 ASP   A OD2  
566  H  H    . ASP   A 36  ? 0.08000544 0.18736218 0.36808154 -0.00475276 0.00957442  -0.02028122 148 ASP   A H    
567  H  HA   . ASP   A 36  ? 0.09034674 0.18950962 0.36425745 -0.00337750 0.00881496  -0.01734900 148 ASP   A HA   
568  H  HB2  . ASP   A 36  ? 0.10952146 0.20134151 0.38088059 -0.00345758 0.00515310  -0.01452049 148 ASP   A HB2  
569  H  HB3  . ASP   A 36  ? 0.10909791 0.20119746 0.38074440 -0.00340159 0.00533308  -0.01440916 148 ASP   A HB3  
570  N  N    . PHE   A 37  ? 0.08201563 0.16435607 0.33411989 0.00336798  0.00797720  -0.01465122 149 PHE   A N    
571  C  CA   . PHE   A 37  ? 0.09433848 0.16576539 0.32956743 0.00680941  0.01022386  -0.01040741 149 PHE   A CA   
572  C  C    . PHE   A 37  ? 0.10811277 0.15625958 0.32644364 0.00047315  0.00919134  -0.00652984 149 PHE   A C    
573  O  O    . PHE   A 37  ? 0.10581873 0.16749337 0.31978720 -0.00097960 0.00719906  -0.00825141 149 PHE   A O    
574  C  CB   . PHE   A 37  ? 0.11190993 0.17732044 0.32685447 0.01228380  0.01011746  -0.00411743 149 PHE   A CB   
575  C  CG   . PHE   A 37  ? 0.13024728 0.19985919 0.32959351 0.02053201  0.00833141  -0.00059009 149 PHE   A CG   
576  C  CD1  . PHE   A 37  ? 0.13723327 0.20953482 0.32888079 0.02781505  0.00717299  -0.00174298 149 PHE   A CD1  
577  C  CD2  . PHE   A 37  ? 0.13470957 0.21547674 0.33074462 0.02959125  0.00692165  0.00073300  149 PHE   A CD2  
578  C  CE1  . PHE   A 37  ? 0.15158512 0.22001036 0.33029220 0.02835409  0.00701605  -0.00311526 149 PHE   A CE1  
579  C  CE2  . PHE   A 37  ? 0.14514892 0.22677483 0.33210111 0.02997853  0.00563831  -0.00126250 149 PHE   A CE2  
580  C  CZ   . PHE   A 37  ? 0.15396681 0.22940703 0.33268666 0.03151290  0.00465328  -0.00113355 149 PHE   A CZ   
581  H  H    . PHE   A 37  ? 0.08491760 0.16903070 0.33593690 0.00326243  0.01043253  -0.01383477 149 PHE   A H    
582  H  HA   . PHE   A 37  ? 0.09483185 0.16543949 0.32974076 0.00629864  0.00937145  -0.00957947 149 PHE   A HA   
583  H  HB2  . PHE   A 37  ? 0.11154918 0.17871885 0.32802412 0.01230598  0.00970777  -0.00490950 149 PHE   A HB2  
584  H  HB3  . PHE   A 37  ? 0.11126728 0.17824250 0.32804403 0.01260553  0.00976683  -0.00505617 149 PHE   A HB3  
585  H  HD1  . PHE   A 37  ? 0.13752571 0.20853978 0.32923079 0.02681498  0.00707463  -0.00150281 149 PHE   A HD1  
586  H  HD2  . PHE   A 37  ? 0.13600363 0.21408094 0.33084497 0.02741114  0.00693186  0.00001312  149 PHE   A HD2  
587  H  HE1  . PHE   A 37  ? 0.14825521 0.21926883 0.33042866 0.02889557  0.00655709  -0.00234559 149 PHE   A HE1  
588  H  HE2  . PHE   A 37  ? 0.14513557 0.22479713 0.33266410 0.02951938  0.00595691  -0.00115885 149 PHE   A HE2  
589  H  HZ   . PHE   A 37  ? 0.15091670 0.22607908 0.33211511 0.03029320  0.00557402  -0.00162240 149 PHE   A HZ   
590  N  N    . GLN   A 38  ? 0.12073962 0.14772122 0.32728443 -0.00146964 0.01015320  -0.00851190 150 GLN   A N    
591  C  CA   . GLN   A 38  ? 0.13845736 0.16024248 0.33352658 -0.00357322 0.00420285  -0.01004329 150 GLN   A CA   
592  C  C    . GLN   A 38  ? 0.12424037 0.15897176 0.32494441 -0.00677674 0.00431332  -0.00713777 150 GLN   A C    
593  O  O    . GLN   A 38  ? 0.14162298 0.15328394 0.32991567 -0.00023521 -0.00509325 -0.00975469 150 GLN   A O    
594  C  CB   . GLN   A 38  ? 0.17688650 0.18472694 0.34803966 -0.01448151 0.00781785  -0.00551417 150 GLN   A CB   
595  C  CG   . GLN   A 38  ? 0.22596826 0.19900276 0.36737883 -0.01414014 0.00392647  -0.01725153 150 GLN   A CG   
596  C  CD   . GLN   A 38  ? 0.25706998 0.22289139 0.38314208 -0.00574652 -0.00375608 -0.01229548 150 GLN   A CD   
597  O  OE1  . GLN   A 38  ? 0.29678878 0.26642379 0.40474001 -0.00156058 -0.01806348 -0.02288919 150 GLN   A OE1  
598  N  NE2  . GLN   A 38  ? 0.28583613 0.23241448 0.39961636 -0.00859380 -0.00740273 -0.01978003 150 GLN   A NE2  
599  H  H    . GLN   A 38  ? 0.12112794 0.15266556 0.32843143 -0.00136664 0.00870707  -0.00839658 150 GLN   A H    
600  H  HA   . GLN   A 38  ? 0.13691351 0.16142300 0.33265856 -0.00525307 0.00601076  -0.00829224 150 GLN   A HA   
601  H  HB2  . GLN   A 38  ? 0.17779821 0.18114264 0.34789535 -0.01225391 0.00631239  -0.00910509 150 GLN   A HB2  
602  H  HB3  . GLN   A 38  ? 0.17640951 0.18123189 0.34828120 -0.01149624 0.00604088  -0.00897408 150 GLN   A HB3  
603  H  HG2  . GLN   A 38  ? 0.22010005 0.19934048 0.36596110 -0.01253239 0.00211629  -0.01294701 150 GLN   A HG2  
604  H  HG3  . GLN   A 38  ? 0.22108036 0.20006248 0.36637044 -0.01211174 0.00405447  -0.01297523 150 GLN   A HG3  
605  H  HE21 . GLN   A 38  ? 0.27558720 0.22938704 0.39615205 -0.00768110 -0.00566014 -0.01732288 150 GLN   A HE21 
606  H  HE22 . GLN   A 38  ? 0.27640125 0.23151129 0.39637631 -0.00769584 -0.00610251 -0.01915140 150 GLN   A HE22 
607  N  N    . ARG   A 39  ? 0.10773016 0.15740824 0.32229301 -0.01049838 0.00607133  -0.00335264 151 ARG   A N    
608  C  CA   . ARG   A 39  ? 0.10390268 0.16596876 0.31870356 -0.01189318 0.00864664  -0.00196669 151 ARG   A CA   
609  C  C    . ARG   A 39  ? 0.09857763 0.16699274 0.31722742 -0.00823370 0.01253247  0.00297675  151 ARG   A C    
610  O  O    . ARG   A 39  ? 0.10475104 0.17004010 0.31034139 -0.01050617 0.01336176  0.00799613  151 ARG   A O    
611  C  CB   . ARG   A 39  ? 0.10982273 0.18204232 0.32558611 -0.01956547 0.00460632  -0.00302830 151 ARG   A CB   
612  C  CG   . ARG   A 39  ? 0.12523586 0.19331986 0.33360878 -0.02593684 0.00163678  -0.00927773 151 ARG   A CG   
613  C  CD   . ARG   A 39  ? 0.14509866 0.21028529 0.34301618 -0.04213686 0.00182537  -0.01432907 151 ARG   A CD   
614  N  NE   . ARG   A 39  ? 0.17302358 0.22248495 0.35092694 -0.04842485 -0.00106705 -0.02030642 151 ARG   A NE   
615  C  CZ   . ARG   A 39  ? 0.19756290 0.23971404 0.35584310 -0.04916310 -0.00909976 -0.02448261 151 ARG   A CZ   
616  N  NH1  . ARG   A 39  ? 0.21606150 0.24477261 0.36555472 -0.04564261 -0.01173333 -0.02901171 151 ARG   A NH1  
617  N  NH2  . ARG   A 39  ? 0.21371447 0.24580067 0.36355489 -0.05639427 -0.01561719 -0.03036386 151 ARG   A NH2  
618  H  H    . ARG   A 39  ? 0.11001173 0.15901434 0.32223284 -0.00901506 0.00615817  -0.00392640 151 ARG   A H    
619  H  HA   . ARG   A 39  ? 0.10461254 0.16681352 0.32049283 -0.01174264 0.00801243  -0.00143784 151 ARG   A HA   
620  H  HB2  . ARG   A 39  ? 0.11171114 0.18058318 0.32545906 -0.01909100 0.00494482  -0.00401337 151 ARG   A HB2  
621  H  HB3  . ARG   A 39  ? 0.11158486 0.18051228 0.32555974 -0.01897423 0.00496347  -0.00402630 151 ARG   A HB3  
622  H  HG2  . ARG   A 39  ? 0.12528178 0.19380987 0.33358854 -0.02748345 0.00253751  -0.00872162 151 ARG   A HG2  
623  H  HG3  . ARG   A 39  ? 0.12470081 0.19346631 0.33371854 -0.02699424 0.00245527  -0.00877365 151 ARG   A HG3  
624  H  HD2  . ARG   A 39  ? 0.14666057 0.20914117 0.34284002 -0.03968261 0.00117492  -0.01461217 151 ARG   A HD2  
625  H  HD3  . ARG   A 39  ? 0.14790428 0.20986512 0.34300792 -0.03988509 0.00109902  -0.01450261 151 ARG   A HD3  
626  H  HE   . ARG   A 39  ? 0.17254132 0.22377042 0.35037476 -0.04736926 -0.00216984 -0.01991735 151 ARG   A HE   
627  H  HH11 . ARG   A 39  ? 0.21081470 0.24309343 0.36364022 -0.04689726 -0.00979030 -0.02749558 151 ARG   A HH11 
628  H  HH12 . ARG   A 39  ? 0.20896941 0.24278063 0.36262399 -0.04667623 -0.01040448 -0.02696835 151 ARG   A HH12 
629  H  HH21 . ARG   A 39  ? 0.20932505 0.24427733 0.36172017 -0.05442404 -0.01297456 -0.02853937 151 ARG   A HH21 
630  H  HH22 . ARG   A 39  ? 0.20972146 0.24554400 0.36109194 -0.05579334 -0.01315716 -0.02843849 151 ARG   A HH22 
631  N  N    . GLY   A 40  ? 0.09684138 0.16537584 0.31728297 -0.00614116 0.01245672  0.01011708  152 GLY   A N    
632  C  CA   . GLY   A 40  ? 0.09977214 0.17192924 0.31922624 -0.00438927 0.00837493  0.01174589  152 GLY   A CA   
633  C  C    . GLY   A 40  ? 0.10328976 0.17324363 0.32248262 0.00130851  0.00704859  0.01300367  152 GLY   A C    
634  O  O    . GLY   A 40  ? 0.12504575 0.18306819 0.32453644 0.01401506  -0.00236926 0.01333895  152 GLY   A O    
635  H  H    . GLY   A 40  ? 0.09750843 0.16697595 0.31753391 -0.00600674 0.01121535  0.00882210  152 GLY   A H    
636  H  HA2  . GLY   A 40  ? 0.10002478 0.17058803 0.31943187 -0.00357630 0.00900605  0.01161732  152 GLY   A HA2  
637  H  HA3  . GLY   A 40  ? 0.09980147 0.17053798 0.31932169 -0.00356540 0.00892729  0.01156651  152 GLY   A HA3  
638  N  N    . ASN   A 41  ? 0.10097668 0.16921869 0.32677802 0.00149129  0.00890879  0.01713506  153 ASN   A N    
639  C  CA   . ASN   A 41  ? 0.11251789 0.17453374 0.33558756 0.00912362  0.01220620  0.01212128  153 ASN   A CA   
640  C  C    . ASN   A 41  ? 0.11156534 0.18239066 0.33660749 0.00759647  0.01180008  0.00959763  153 ASN   A C    
641  O  O    . ASN   A 41  ? 0.13553031 0.19265555 0.34384501 0.01134569  0.01782860  0.00300321  153 ASN   A O    
642  C  CB   . ASN   A 41  ? 0.11904404 0.17680424 0.34130880 0.01326738  0.00986956  0.01358482  153 ASN   A CB   
643  C  CG   . ASN   A 41  ? 0.13325566 0.17491959 0.35332459 0.01288652  0.00906736  0.01839368  153 ASN   A CG   
644  O  OD1  . ASN   A 41  ? 0.16479950 0.16295750 0.36260441 0.01229356  0.00932900  0.01882838  153 ASN   A OD1  
645  N  ND2  . ASN   A 41  ? 0.13850188 0.18427405 0.36131087 0.01563227  0.00864237  0.02178400  153 ASN   A ND2  
646  H  H    . ASN   A 41  ? 0.10398724 0.17133541 0.32748619 0.00305649  0.00916893  0.01496989  153 ASN   A H    
647  H  HA   . ASN   A 41  ? 0.11176842 0.17564063 0.33494759 0.00854985  0.01126557  0.01318908  153 ASN   A HA   
648  H  HB2  . ASN   A 41  ? 0.12005822 0.17590439 0.34231859 0.01224034  0.01058044  0.01428688  153 ASN   A HB2  
649  H  HB3  . ASN   A 41  ? 0.12047851 0.17610289 0.34302744 0.01207214  0.01005154  0.01437986  153 ASN   A HB3  
650  H  HD21 . ASN   A 41  ? 0.13760063 0.18281689 0.35863701 0.01575929  0.00924498  0.02112192  153 ASN   A HD21 
651  H  HD22 . ASN   A 41  ? 0.13735946 0.18302409 0.35874006 0.01448390  0.00887824  0.02084442  153 ASN   A HD22 
652  N  N    . ASP   A 42  ? 0.10687005 0.18007350 0.33420047 0.01014475  0.01045586  0.00285022  154 ASP   A N    
653  C  CA   . ASP   A 42  ? 0.10819746 0.19279347 0.33518758 0.01259157  0.01052366  0.00088105  154 ASP   A CA   
654  C  C    . ASP   A 42  ? 0.10483874 0.18922463 0.33095783 0.01511228  0.00815839  0.00136639  154 ASP   A C    
655  O  O    . ASP   A 42  ? 0.10854728 0.19587608 0.33684176 0.02396018  0.00678498  0.00278805  154 ASP   A O    
656  C  CB   . ASP   A 42  ? 0.11253757 0.19990225 0.34336108 0.00974668  0.01163001  -0.00025729 154 ASP   A CB   
657  C  CG   . ASP   A 42  ? 0.13006140 0.21514913 0.34875777 -0.00048774 0.00789165  -0.00199363 154 ASP   A CG   
658  O  OD1  . ASP   A 42  ? 0.13679911 0.21854687 0.36257762 0.00442682  0.00684079  0.00164784  154 ASP   A OD1  
659  O  OD2  . ASP   A 42  ? 0.13939139 0.23486666 0.36093518 -0.01664673 0.00666373  -0.00599365 154 ASP   A OD2  
660  H  H    . ASP   A 42  ? 0.10807800 0.18149349 0.33462611 0.01056235  0.01102268  0.00338063  154 ASP   A H    
661  H  HA   . ASP   A 42  ? 0.10874932 0.19158311 0.33583248 0.01196095  0.01019106  0.00130221  154 ASP   A HA   
662  H  HB2  . ASP   A 42  ? 0.11438249 0.19959107 0.34221828 0.00917227  0.01067164  -0.00034639 154 ASP   A HB2  
663  H  HB3  . ASP   A 42  ? 0.11487862 0.20105667 0.34207001 0.00840022  0.01082071  -0.00032330 154 ASP   A HB3  
664  N  N    . VAL   A 43  ? 0.09442985 0.17655435 0.32185885 0.01262017  0.00594252  0.00564874  155 VAL   A N    
665  C  CA   . VAL   A 43  ? 0.09657706 0.17556407 0.31978810 0.00656955  0.01011666  0.00298173  155 VAL   A CA   
666  C  C    . VAL   A 43  ? 0.08806459 0.17834705 0.31929114 0.00450918  0.01004779  0.00284557  155 VAL   A C    
667  O  O    . VAL   A 43  ? 0.07551553 0.18274474 0.32360256 -0.01014459 0.01023178  0.00414961  155 VAL   A O    
668  C  CB   . VAL   A 43  ? 0.10597529 0.17825784 0.32164589 0.00572110  0.00949606  0.00114157  155 VAL   A CB   
669  C  CG1  . VAL   A 43  ? 0.10732335 0.17892157 0.32334518 0.00542772  0.00908421  0.00093234  155 VAL   A CG1  
670  C  CG2  . VAL   A 43  ? 0.11181481 0.18438371 0.32110351 0.00444292  0.00947977  0.00212322  155 VAL   A CG2  
671  H  H    . VAL   A 43  ? 0.09496708 0.17853133 0.32306781 0.01318208  0.00636805  0.00463450  155 VAL   A H    
672  H  HA   . VAL   A 43  ? 0.09678785 0.17705610 0.32052222 0.00702575  0.00924085  0.00308487  155 VAL   A HA   
673  H  HB   . VAL   A 43  ? 0.10555790 0.17902993 0.32152250 0.00542097  0.00957509  0.00163281  155 VAL   A HB   
674  H  HG11 . VAL   A 43  ? 0.10716280 0.17883036 0.32296985 0.00539601  0.00921991  0.00093707  155 VAL   A HG11 
675  H  HG12 . VAL   A 43  ? 0.10702804 0.17882834 0.32302430 0.00555245  0.00909282  0.00090412  155 VAL   A HG12 
676  H  HG13 . VAL   A 43  ? 0.10697310 0.17889450 0.32328191 0.00540195  0.00917402  0.00089305  155 VAL   A HG13 
677  H  HG21 . VAL   A 43  ? 0.11037364 0.18354915 0.32142317 0.00472836  0.00949087  0.00213648  155 VAL   A HG21 
678  H  HG22 . VAL   A 43  ? 0.11031573 0.18279955 0.32131258 0.00475803  0.00946870  0.00190917  155 VAL   A HG22 
679  H  HG23 . VAL   A 43  ? 0.11153341 0.18305267 0.32146677 0.00435286  0.00952942  0.00182867  155 VAL   A HG23 
680  N  N    . ALA   A 44  ? 0.09046979 0.17974125 0.31537175 0.00007613  0.00876134  0.00274904  156 ALA   A N    
681  C  CA   . ALA   A 44  ? 0.08139776 0.17869687 0.31627351 -0.00404775 0.00306817  -0.00007146 156 ALA   A CA   
682  C  C    . ALA   A 44  ? 0.07788834 0.17866868 0.31567621 -0.00727782 0.00208112  -0.00256107 156 ALA   A C    
683  O  O    . ALA   A 44  ? 0.08032200 0.17717768 0.31866479 -0.00570896 0.00752279  0.00051015  156 ALA   A O    
684  C  CB   . ALA   A 44  ? 0.08595505 0.18087111 0.31983569 -0.00094730 0.00088211  -0.00164306 156 ALA   A CB   
685  H  H    . ALA   A 44  ? 0.08964056 0.17928611 0.31661904 -0.00019855 0.00751260  0.00219137  156 ALA   A H    
686  H  HA   . ALA   A 44  ? 0.08288252 0.17956907 0.31650043 -0.00387473 0.00291015  -0.00040611 156 ALA   A HA   
687  H  HB1  . ALA   A 44  ? 0.08482035 0.18040736 0.31910509 -0.00175877 0.00142006  -0.00115628 156 ALA   A HB1  
688  H  HB2  . ALA   A 44  ? 0.08507995 0.18037683 0.31906489 -0.00167318 0.00165660  -0.00120055 156 ALA   A HB2  
689  H  HB3  . ALA   A 44  ? 0.08523240 0.18078636 0.31923264 -0.00130717 0.00111752  -0.00159185 156 ALA   A HB3  
690  N  N    . PHE   A 45  ? 0.06465272 0.17018507 0.31434122 -0.00768272 0.00413475  0.00049133  157 PHE   A N    
691  C  CA   . PHE   A 45  ? 0.06389251 0.16764595 0.31377468 -0.00269114 0.00570235  0.00063988  157 PHE   A CA   
692  C  C    . PHE   A 45  ? 0.07458046 0.16059679 0.31795031 -0.00001229 0.00367748  -0.00225254 157 PHE   A C    
693  O  O    . PHE   A 45  ? 0.07692631 0.16776168 0.31606928 0.00442682  -0.00211465 -0.00073025 157 PHE   A O    
694  C  CB   . PHE   A 45  ? 0.07195491 0.16932352 0.31269759 -0.00336056 0.00624574  0.00088886  157 PHE   A CB   
695  C  CG   . PHE   A 45  ? 0.07705922 0.17293358 0.31004104 -0.00127770 0.00433458  -0.00050570 157 PHE   A CG   
696  C  CD1  . PHE   A 45  ? 0.08320273 0.17784822 0.31180757 0.00269866  0.00546377  -0.00144466 157 PHE   A CD1  
697  C  CD2  . PHE   A 45  ? 0.08276694 0.17826465 0.31054178 0.00139800  0.00321631  0.00049898  157 PHE   A CD2  
698  C  CE1  . PHE   A 45  ? 0.09238447 0.18179791 0.31329742 0.00178884  0.00499845  -0.00220562 157 PHE   A CE1  
699  C  CE2  . PHE   A 45  ? 0.08552115 0.17817242 0.31227568 0.00259395  0.00014971  -0.00272915 157 PHE   A CE2  
700  C  CZ   . PHE   A 45  ? 0.08893380 0.17943740 0.31107959 0.00251906  0.00506104  -0.00519891 157 PHE   A CZ   
701  H  H    . PHE   A 45  ? 0.06562770 0.17154877 0.31419182 -0.00655370 0.00492877  -0.00008363 157 PHE   A H    
702  H  HA   . PHE   A 45  ? 0.06453093 0.16702439 0.31455857 -0.00247677 0.00520621  0.00004294  157 PHE   A HA   
703  H  HB2  . PHE   A 45  ? 0.07126807 0.16956870 0.31235743 -0.00290808 0.00564914  0.00047449  157 PHE   A HB2  
704  H  HB3  . PHE   A 45  ? 0.07205966 0.16990009 0.31241649 -0.00281746 0.00562714  0.00048717  157 PHE   A HB3  
705  H  HD1  . PHE   A 45  ? 0.08347444 0.17738023 0.31172255 0.00147941  0.00503764  -0.00137169 157 PHE   A HD1  
706  H  HD2  . PHE   A 45  ? 0.08234149 0.17712332 0.31088647 0.00076131  0.00276869  -0.00045298 157 PHE   A HD2  
707  H  HE1  . PHE   A 45  ? 0.09067092 0.18111803 0.31264144 0.00117691  0.00466108  -0.00244213 157 PHE   A HE1  
708  H  HE2  . PHE   A 45  ? 0.08528475 0.17839459 0.31114727 0.00240085  0.00168836  -0.00235589 157 PHE   A HE2  
709  H  HZ   . PHE   A 45  ? 0.08873454 0.17951967 0.31118062 0.00236459  0.00398637  -0.00409102 157 PHE   A HZ   
710  N  N    . HIS   A 46  ? 0.07127579 0.15388563 0.32288966 -0.00450043 0.00767863  -0.00332592 158 HIS   A N    
711  C  CA   . HIS   A 46  ? 0.07917656 0.15346022 0.32707721 -0.00209465 0.00853937  -0.00365818 158 HIS   A CA   
712  C  C    . HIS   A 46  ? 0.07727142 0.15749782 0.32283685 0.00128354  0.00793884  -0.00351001 158 HIS   A C    
713  O  O    . HIS   A 46  ? 0.07957318 0.17238352 0.33370811 0.01209193  0.01130025  -0.01015808 158 HIS   A O    
714  C  CB   . HIS   A 46  ? 0.09078394 0.15584964 0.32892382 -0.00498695 0.00940211  -0.00162253 158 HIS   A CB   
715  C  CG   . HIS   A 46  ? 0.08925093 0.15591674 0.33505210 -0.00859312 0.01293447  -0.00265353 158 HIS   A CG   
716  N  ND1  . HIS   A 46  ? 0.09996782 0.15328099 0.33903509 -0.01993690 0.01182294  -0.00005420 158 HIS   A ND1  
717  C  CD2  . HIS   A 46  ? 0.08867407 0.15781716 0.33864278 -0.00682055 0.01288201  -0.00345022 158 HIS   A CD2  
718  C  CE1  . HIS   A 46  ? 0.09964784 0.15551730 0.34206790 -0.01142826 0.01317718  -0.00372283 158 HIS   A CE1  
719  N  NE2  . HIS   A 46  ? 0.10365836 0.15807742 0.34078240 -0.00977881 0.01349754  -0.00378324 158 HIS   A NE2  
720  H  H    . HIS   A 46  ? 0.07185639 0.15556563 0.32248625 -0.00303655 0.00653396  -0.00310872 158 HIS   A H    
721  H  HA   . HIS   A 46  ? 0.07913455 0.15509441 0.32584870 -0.00233480 0.00832583  -0.00329707 158 HIS   A HA   
722  H  HB2  . HIS   A 46  ? 0.08839699 0.15557788 0.32990479 -0.00499048 0.00997998  -0.00225881 158 HIS   A HB2  
723  H  HB3  . HIS   A 46  ? 0.09023347 0.15543492 0.32981357 -0.00486630 0.01005763  -0.00232917 158 HIS   A HB3  
724  H  HD1  . HIS   A 46  ? 0.20029929 0.20029929 0.20029929 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
725  H  HD2  . HIS   A 46  ? 0.08997357 0.15738250 0.33799165 -0.00803449 0.01375196  -0.00328660 158 HIS   A HD2  
726  H  HE1  . HIS   A 46  ? 0.10153564 0.15635780 0.34170297 -0.01279276 0.01300267  -0.00296020 158 HIS   A HE1  
727  H  HE2  . HIS   A 46  ? 0.21026677 0.21026677 0.21026677 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
728  N  N    . PHE   A 47  ? 0.07510742 0.16278870 0.32184866 0.00424345  0.00770763  -0.00407247 159 PHE   A N    
729  C  CA   . PHE   A 47  ? 0.07150365 0.16862461 0.32364979 0.00217305  0.00597874  -0.00565039 159 PHE   A CA   
730  C  C    . PHE   A 47  ? 0.07734505 0.16943736 0.33017531 0.00198711  0.00564724  -0.00754964 159 PHE   A C    
731  O  O    . PHE   A 47  ? 0.07616638 0.16647273 0.33727756 0.00091208  0.00744640  -0.00992569 159 PHE   A O    
732  C  CB   . PHE   A 47  ? 0.06067184 0.16969736 0.31882390 -0.00239164 0.00547024  -0.00642020 159 PHE   A CB   
733  C  CG   . PHE   A 47  ? 0.06601213 0.17430755 0.31834313 -0.00759306 0.00274089  -0.00665812 159 PHE   A CG   
734  C  CD1  . PHE   A 47  ? 0.06531584 0.18159232 0.31623715 -0.00581470 0.00211091  -0.00710526 159 PHE   A CD1  
735  C  CD2  . PHE   A 47  ? 0.07120638 0.17810085 0.31827366 -0.01428798 0.00474896  -0.00780060 159 PHE   A CD2  
736  C  CE1  . PHE   A 47  ? 0.07343805 0.18480761 0.31895140 -0.00789308 0.00184045  -0.00762028 159 PHE   A CE1  
737  C  CE2  . PHE   A 47  ? 0.07491671 0.17948174 0.31950194 -0.01337635 0.00309144  -0.00632235 159 PHE   A CE2  
738  C  CZ   . PHE   A 47  ? 0.07645243 0.18005492 0.31714547 -0.01217270 0.00341562  -0.00665716 159 PHE   A CZ   
739  H  H    . PHE   A 47  ? 0.07466377 0.16270220 0.32253063 0.00300971  0.00746511  -0.00428757 159 PHE   A H    
740  H  HA   . PHE   A 47  ? 0.07155711 0.16788974 0.32375711 0.00181559  0.00619435  -0.00587814 159 PHE   A HA   
741  H  HB2  . PHE   A 47  ? 0.06356318 0.16988698 0.31975642 -0.00281259 0.00512509  -0.00640701 159 PHE   A HB2  
742  H  HB3  . PHE   A 47  ? 0.06154341 0.17050362 0.31976047 -0.00225344 0.00594214  -0.00652261 159 PHE   A HB3  
743  H  HD1  . PHE   A 47  ? 0.06713339 0.18042314 0.31731412 -0.00697575 0.00210461  -0.00719345 159 PHE   A HD1  
744  H  HD2  . PHE   A 47  ? 0.07033291 0.17752963 0.31828713 -0.01252137 0.00423710  -0.00708067 159 PHE   A HD2  
745  H  HE1  . PHE   A 47  ? 0.07310677 0.18341231 0.31848902 -0.00830082 0.00178968  -0.00742896 159 PHE   A HE1  
746  H  HE2  . PHE   A 47  ? 0.07441311 0.17934540 0.31868309 -0.01307846 0.00361130  -0.00671017 159 PHE   A HE2  
747  H  HZ   . PHE   A 47  ? 0.07522981 0.18093655 0.31779364 -0.01140437 0.00297631  -0.00689391 159 PHE   A HZ   
748  N  N    . ASN   A 48  ? 0.08519298 0.17516796 0.33882391 0.00710988  0.00916519  -0.00939320 160 ASN   A N    
749  C  CA   . ASN   A 48  ? 0.09238727 0.17235582 0.34206313 0.01456849  0.00600985  -0.01247263 160 ASN   A CA   
750  C  C    . ASN   A 48  ? 0.09382650 0.16837189 0.34599593 0.02193580  0.00418006  -0.01421780 160 ASN   A C    
751  O  O    . ASN   A 48  ? 0.09690274 0.17038257 0.34702232 0.02631606  0.00674923  -0.01314267 160 ASN   A O    
752  C  CB   . ASN   A 48  ? 0.09843300 0.18134987 0.34338805 0.01858863  0.00495553  -0.01232289 160 ASN   A CB   
753  C  CG   . ASN   A 48  ? 0.10950997 0.18100594 0.34711218 0.02388850  0.00137975  -0.01564579 160 ASN   A CG   
754  O  OD1  . ASN   A 48  ? 0.13712581 0.19962382 0.35564476 0.03404638  -0.00475738 -0.01354745 160 ASN   A OD1  
755  N  ND2  . ASN   A 48  ? 0.11546403 0.17587975 0.35295537 0.02326315  -0.00172038 -0.01557593 160 ASN   A ND2  
756  H  H    . ASN   A 48  ? 0.08432572 0.17300563 0.33706105 0.00735157  0.00766813  -0.00953154 160 ASN   A H    
757  H  HA   . ASN   A 48  ? 0.09230555 0.17361142 0.34277624 0.01513815  0.00601885  -0.01231119 160 ASN   A HA   
758  H  HB2  . ASN   A 48  ? 0.09936950 0.17907958 0.34401873 0.01857690  0.00437981  -0.01295154 160 ASN   A HB2  
759  H  HB3  . ASN   A 48  ? 0.09869657 0.17919457 0.34393573 0.01866763  0.00441985  -0.01311717 160 ASN   A HB3  
760  H  HD21 . ASN   A 48  ? 0.11364044 0.17736918 0.35099277 0.02300636  -0.00048451 -0.01561326 160 ASN   A HD21 
761  H  HD22 . ASN   A 48  ? 0.11376740 0.17641111 0.35112721 0.02338410  -0.00071709 -0.01563673 160 ASN   A HD22 
762  N  N    . PRO   A 49  ? 0.09547606 0.16790383 0.35272649 0.02773305  0.00185578  -0.01963159 161 PRO   A N    
763  C  CA   . PRO   A 49  ? 0.10098365 0.17230473 0.35519087 0.02594839  0.00216525  -0.02315097 161 PRO   A CA   
764  C  C    . PRO   A 49  ? 0.12064593 0.17618164 0.36052981 0.02467537  0.00125284  -0.02465516 161 PRO   A C    
765  O  O    . PRO   A 49  ? 0.12274853 0.17273071 0.37399116 0.01603267  0.00727656  -0.02911226 161 PRO   A O    
766  C  CB   . PRO   A 49  ? 0.10308401 0.16629097 0.35408366 0.02956564  0.00254875  -0.02466781 161 PRO   A CB   
767  C  CG   . PRO   A 49  ? 0.09561254 0.16524233 0.35740310 0.03087317  0.00447294  -0.02111224 161 PRO   A CG   
768  C  CD   . PRO   A 49  ? 0.09395228 0.15939485 0.35460332 0.02983284  0.00515122  -0.02411147 161 PRO   A CD   
769  H  HA   . PRO   A 49  ? 0.10267866 0.17135432 0.35517538 0.02659848  0.00274241  -0.02298301 161 PRO   A HA   
770  H  HB2  . PRO   A 49  ? 0.10183399 0.16782817 0.35517800 0.02951497  0.00276648  -0.02369300 161 PRO   A HB2  
771  H  HB3  . PRO   A 49  ? 0.10107353 0.16745301 0.35478941 0.02917776  0.00297817  -0.02360940 161 PRO   A HB3  
772  H  HG2  . PRO   A 49  ? 0.09602684 0.16407232 0.35592356 0.03050157  0.00395898  -0.02253006 161 PRO   A HG2  
773  H  HG3  . PRO   A 49  ? 0.09665324 0.16403952 0.35593694 0.03029812  0.00421797  -0.02251796 161 PRO   A HG3  
774  H  HD2  . PRO   A 49  ? 0.09424683 0.16221352 0.35508609 0.02911934  0.00446629  -0.02249859 161 PRO   A HD2  
775  H  HD3  . PRO   A 49  ? 0.09433343 0.16068071 0.35449693 0.02871660  0.00422112  -0.02269305 161 PRO   A HD3  
776  N  N    . ARG   A 50  ? 0.13046417 0.17807187 0.36268434 0.03292537  -0.00483858 -0.02612858 162 ARG   A N    
777  C  CA   . ARG   A 50  ? 0.13862692 0.17996442 0.36600548 0.03025093  -0.01177660 -0.03057242 162 ARG   A CA   
778  C  C    . ARG   A 50  ? 0.16079286 0.18958995 0.37091166 0.03583756  -0.01556713 -0.03534994 162 ARG   A C    
779  O  O    . ARG   A 50  ? 0.16902082 0.18536313 0.36562008 0.02976111  -0.01096777 -0.03924803 162 ARG   A O    
780  C  CB   . ARG   A 50  ? 0.14570408 0.17937586 0.36432353 0.03212889  -0.01584691 -0.03130144 162 ARG   A CB   
781  C  CG   . ARG   A 50  ? 0.14266597 0.17653964 0.36429751 0.03422576  -0.01989494 -0.03260107 162 ARG   A CG   
782  C  CD   . ARG   A 50  ? 0.15077572 0.18040434 0.36190021 0.03519156  -0.02313341 -0.03292280 162 ARG   A CD   
783  N  NE   . ARG   A 50  ? 0.15610166 0.18248083 0.35997066 0.03636258  -0.02279870 -0.03372613 162 ARG   A NE   
784  C  CZ   . ARG   A 50  ? 0.15151885 0.18185455 0.35722831 0.04483107  -0.02224245 -0.03155353 162 ARG   A CZ   
785  N  NH1  . ARG   A 50  ? 0.16194592 0.18316308 0.35711172 0.05393612  -0.02127522 -0.03153967 162 ARG   A NH1  
786  N  NH2  . ARG   A 50  ? 0.14585614 0.18001209 0.35926646 0.04367793  -0.01989354 -0.03471917 162 ARG   A NH2  
787  H  H    . ARG   A 50  ? 0.13019612 0.17812291 0.36306480 0.03065851  -0.00526311 -0.02693877 162 ARG   A H    
788  H  HA   . ARG   A 50  ? 0.14081904 0.18120041 0.36566702 0.03163106  -0.01098043 -0.03042263 162 ARG   A HA   
789  H  HB2  . ARG   A 50  ? 0.14396517 0.17895666 0.36490098 0.03235462  -0.01618743 -0.03154867 162 ARG   A HB2  
790  H  HB3  . ARG   A 50  ? 0.14351216 0.17912501 0.36475033 0.03220179  -0.01591389 -0.03151232 162 ARG   A HB3  
791  H  HG2  . ARG   A 50  ? 0.14470430 0.17783432 0.36357296 0.03382826  -0.01940917 -0.03224074 162 ARG   A HG2  
792  H  HG3  . ARG   A 50  ? 0.14501032 0.17718986 0.36368036 0.03400675  -0.01959029 -0.03214154 162 ARG   A HG3  
793  H  HD2  . ARG   A 50  ? 0.15058215 0.18008119 0.36210129 0.03546094  -0.02253269 -0.03309911 162 ARG   A HD2  
794  H  HD3  . ARG   A 50  ? 0.15029386 0.18019110 0.36200058 0.03537235  -0.02235119 -0.03308572 162 ARG   A HD3  
795  H  HE   . ARG   A 50  ? 0.15528198 0.18276156 0.35975966 0.03671198  -0.02280557 -0.03275833 162 ARG   A HE   
796  H  HH11 . ARG   A 50  ? 0.15890963 0.18266299 0.35781074 0.05091212  -0.02097385 -0.03160412 162 ARG   A HH11 
797  H  HH12 . ARG   A 50  ? 0.15849292 0.18255274 0.35724136 0.05064775  -0.02143320 -0.03175150 162 ARG   A HH12 
798  H  HH21 . ARG   A 50  ? 0.14768228 0.18052658 0.35868269 0.04425905  -0.02057560 -0.03371588 162 ARG   A HH21 
799  H  HH22 . ARG   A 50  ? 0.14705040 0.18023050 0.35867319 0.04446584  -0.02060705 -0.03375513 162 ARG   A HH22 
800  N  N    . PHE   A 51  ? 0.15854487 0.20215636 0.38360861 0.03445979  -0.02205432 -0.03268193 163 PHE   A N    
801  C  CA   . PHE   A 51  ? 0.17374340 0.21659029 0.39050633 0.03538106  -0.03048577 -0.03658306 163 PHE   A CA   
802  C  C    . PHE   A 51  ? 0.20383903 0.22129941 0.40661582 0.04551467  -0.03161461 -0.04242697 163 PHE   A C    
803  O  O    . PHE   A 51  ? 0.22381535 0.21601358 0.40820375 0.04897380  -0.03589761 -0.04990636 163 PHE   A O    
804  C  CB   . PHE   A 51  ? 0.17282024 0.22233269 0.39581603 0.02913970  -0.03281914 -0.03172076 163 PHE   A CB   
805  C  CG   . PHE   A 51  ? 0.15384914 0.23046407 0.39490888 0.02346062  -0.03713127 -0.02556502 163 PHE   A CG   
806  C  CD1  . PHE   A 51  ? 0.14838424 0.23627411 0.39669529 0.02799832  -0.03454761 -0.02376950 163 PHE   A CD1  
807  C  CD2  . PHE   A 51  ? 0.14796716 0.23684600 0.39832857 0.02131120  -0.03581227 -0.02465766 163 PHE   A CD2  
808  C  CE1  . PHE   A 51  ? 0.15067068 0.24637684 0.39841926 0.03114359  -0.03566102 -0.01921457 163 PHE   A CE1  
809  C  CE2  . PHE   A 51  ? 0.15087356 0.24245755 0.39861658 0.02213851  -0.04022927 -0.02167454 163 PHE   A CE2  
810  C  CZ   . PHE   A 51  ? 0.14481755 0.24785422 0.39964578 0.02472203  -0.03950062 -0.01931046 163 PHE   A CZ   
811  H  H    . PHE   A 51  ? 0.16225590 0.20224330 0.38165918 0.03488662  -0.02198119 -0.03402226 163 PHE   A H    
812  H  HA   . PHE   A 51  ? 0.17525917 0.21508342 0.39244908 0.03579328  -0.02920763 -0.03597177 163 PHE   A HA   
813  H  HB2  . PHE   A 51  ? 0.16880655 0.22273608 0.39511111 0.02935229  -0.03331453 -0.03170609 163 PHE   A HB2  
814  H  HB3  . PHE   A 51  ? 0.16871110 0.22297066 0.39463148 0.02932016  -0.03328720 -0.03147033 163 PHE   A HB3  
815  H  HD1  . PHE   A 51  ? 0.15050764 0.23666130 0.39740506 0.02767141  -0.03533189 -0.02317882 163 PHE   A HD1  
816  H  HD2  . PHE   A 51  ? 0.15007845 0.23658706 0.39748570 0.02220389  -0.03705880 -0.02426955 163 PHE   A HD2  
817  H  HE1  . PHE   A 51  ? 0.14894022 0.24402998 0.39888471 0.02853285  -0.03628211 -0.02026777 163 PHE   A HE1  
818  H  HE2  . PHE   A 51  ? 0.14886126 0.24226932 0.39848575 0.02266972  -0.03901765 -0.02182402 163 PHE   A HE2  
819  H  HZ   . PHE   A 51  ? 0.14779375 0.24619855 0.39910546 0.02543934  -0.03864661 -0.02003130 163 PHE   A HZ   
820  N  N    . ASN   A 52  ? 0.23643725 0.24370879 0.41639867 0.05199106  -0.03681425 -0.03924780 164 ASN   A N    
821  C  CA   . ASN   A 52  ? 0.26712981 0.26259989 0.44093406 0.06577822  -0.04512139 -0.03679720 164 ASN   A CA   
822  C  C    . ASN   A 52  ? 0.27603978 0.26965538 0.44073087 0.07584742  -0.04463513 -0.04136878 164 ASN   A C    
823  O  O    . ASN   A 52  ? 0.29790458 0.30128562 0.45532882 0.07077862  -0.04328249 -0.02921412 164 ASN   A O    
824  C  CB   . ASN   A 52  ? 0.29683813 0.29217681 0.46397433 0.04727854  -0.05020865 -0.03018223 164 ASN   A CB   
825  C  CG   . ASN   A 52  ? 0.32037431 0.30679888 0.48939815 0.05437106  -0.05511558 -0.02745541 164 ASN   A CG   
826  O  OD1  . ASN   A 52  ? 0.32724944 0.35560232 0.51270974 0.04468882  -0.04910113 -0.02790163 164 ASN   A OD1  
827  N  ND2  . ASN   A 52  ? 0.34270415 0.31618217 0.50942421 0.04206467  -0.06063186 -0.02210074 164 ASN   A ND2  
828  H  H    . ASN   A 52  ? 0.23186645 0.24054551 0.41789156 0.05279976  -0.03701366 -0.03930297 164 ASN   A H    
829  H  HA   . ASN   A 52  ? 0.26658583 0.26416326 0.43966517 0.06127037  -0.04452009 -0.03703894 164 ASN   A HA   
830  H  HB2  . ASN   A 52  ? 0.29447299 0.28771469 0.46386701 0.05336888  -0.04971584 -0.03119645 164 ASN   A HB2  
831  H  HB3  . ASN   A 52  ? 0.29445782 0.28777280 0.46384823 0.05344572  -0.05020581 -0.03118518 164 ASN   A HB3  
832  H  HD21 . ASN   A 52  ? 0.33994055 0.31398779 0.50283164 0.04544726  -0.05799279 -0.02385201 164 ASN   A HD21 
833  H  HD22 . ASN   A 52  ? 0.33779237 0.31738406 0.50302529 0.04366674  -0.05858525 -0.02384839 164 ASN   A HD22 
834  N  N    . GLU   A 53  ? 0.27674043 0.25960895 0.44179010 0.08648898  -0.04095964 -0.05848525 165 GLU   A N    
835  C  CA   . GLU   A 53  ? 0.28683087 0.27279347 0.44033098 0.08771618  -0.04145633 -0.06677375 165 GLU   A CA   
836  C  C    . GLU   A 53  ? 0.29423022 0.27098876 0.44342396 0.09525251  -0.04387579 -0.06445061 165 GLU   A C    
837  O  O    . GLU   A 53  ? 0.27440032 0.25430593 0.44510427 0.09675052  -0.04805052 -0.06439789 165 GLU   A O    
838  C  CB   . GLU   A 53  ? 0.28750241 0.28179988 0.44394809 0.08656865  -0.03367005 -0.07580291 165 GLU   A CB   
839  C  CG   . GLU   A 53  ? 0.28187564 0.30449486 0.44541320 0.08808967  -0.03046015 -0.07852234 165 GLU   A CG   
840  C  CD   . GLU   A 53  ? 0.28574538 0.31929249 0.45106363 0.08029759  -0.02435352 -0.08597040 165 GLU   A CD   
841  O  OE1  . GLU   A 53  ? 0.29012728 0.33794117 0.45492649 0.07290411  -0.02091627 -0.09355566 165 GLU   A OE1  
842  O  OE2  . GLU   A 53  ? 0.27794901 0.34729397 0.45763704 0.08196782  -0.02185030 -0.09399094 165 GLU   A OE2  
843  H  H    . GLU   A 53  ? 0.27873769 0.26498243 0.44132835 0.08410943  -0.04196513 -0.05622020 165 GLU   A H    
844  H  HA   . GLU   A 53  ? 0.28649241 0.27171960 0.44202432 0.08862492  -0.04050835 -0.06587483 165 GLU   A HA   
845  H  HB2  . GLU   A 53  ? 0.28604811 0.28463876 0.44343543 0.08723468  -0.03475785 -0.07431741 165 GLU   A HB2  
846  H  HB3  . GLU   A 53  ? 0.28608304 0.28446251 0.44347486 0.08728891  -0.03488491 -0.07423600 165 GLU   A HB3  
847  H  HG2  . GLU   A 53  ? 0.28340766 0.30166972 0.44628042 0.08672811  -0.02974779 -0.07962121 165 GLU   A HG2  
848  H  HG3  . GLU   A 53  ? 0.28384835 0.30257249 0.44623157 0.08608785  -0.02967574 -0.07961928 165 GLU   A HG3  
849  N  N    . ASN   A 54  ? 0.30543649 0.28182018 0.45313638 0.10229581  -0.04799359 -0.05808871 166 ASN   A N    
850  C  CA   . ASN   A 54  ? 0.31044120 0.29026878 0.46261993 0.10934757  -0.04415042 -0.05728384 166 ASN   A CA   
851  C  C    . ASN   A 54  ? 0.31701371 0.26692984 0.45931569 0.11401723  -0.04431279 -0.05710912 166 ASN   A C    
852  O  O    . ASN   A 54  ? 0.30221266 0.25780267 0.44748721 0.12813346  -0.05352320 -0.06156175 166 ASN   A O    
853  C  CB   . ASN   A 54  ? 0.31889033 0.32766896 0.48287576 0.09878200  -0.03995803 -0.05309977 166 ASN   A CB   
854  C  CG   . ASN   A 54  ? 0.32460535 0.35280430 0.50581330 0.10897227  -0.03350282 -0.04774582 166 ASN   A CG   
855  O  OD1  . ASN   A 54  ? 0.34250546 0.40883255 0.52417344 0.09337771  -0.02337084 -0.03282994 166 ASN   A OD1  
856  N  ND2  . ASN   A 54  ? 0.32920033 0.36239296 0.51943833 0.10562044  -0.02883971 -0.04475699 166 ASN   A ND2  
857  H  H    . ASN   A 54  ? 0.30364761 0.28080893 0.45313537 0.10202979  -0.04645140 -0.05978303 166 ASN   A H    
858  H  HA   . ASN   A 54  ? 0.31228793 0.29133314 0.46409833 0.10700421  -0.04405493 -0.05660047 166 ASN   A HA   
859  H  HB2  . ASN   A 54  ? 0.31795576 0.32382533 0.48283035 0.10347422  -0.03942251 -0.05289750 166 ASN   A HB2  
860  H  HB3  . ASN   A 54  ? 0.31786230 0.32514286 0.48412701 0.10313455  -0.03892402 -0.05278049 166 ASN   A HB3  
861  H  HD21 . ASN   A 54  ? 0.32786202 0.35826093 0.51431620 0.10648099  -0.03102097 -0.04578909 166 ASN   A HD21 
862  H  HD22 . ASN   A 54  ? 0.32849663 0.36084700 0.51549911 0.10559414  -0.03097640 -0.04477020 166 ASN   A HD22 
863  N  N    . ASN   A 55  ? 0.31188312 0.25376350 0.45634547 0.12185732  -0.04146162 -0.05915245 167 ASN   A N    
864  C  CA   . ASN   A 55  ? 0.32500100 0.26331660 0.45487753 0.10896839  -0.04211423 -0.05825136 167 ASN   A CA   
865  C  C    . ASN   A 55  ? 0.33496720 0.27181417 0.44811478 0.10462651  -0.03591958 -0.05696017 167 ASN   A C    
866  O  O    . ASN   A 55  ? 0.35531181 0.28141099 0.44629991 0.10648674  -0.03905480 -0.05453728 167 ASN   A O    
867  C  CB   . ASN   A 55  ? 0.33603787 0.26127055 0.46142036 0.10526071  -0.04464547 -0.06170089 167 ASN   A CB   
868  C  CG   . ASN   A 55  ? 0.34097660 0.25724065 0.47451854 0.10210496  -0.04669213 -0.06020825 167 ASN   A CG   
869  O  OD1  . ASN   A 55  ? 0.35534790 0.26078686 0.47982913 0.10008237  -0.05028960 -0.05529448 167 ASN   A OD1  
870  N  ND2  . ASN   A 55  ? 0.34439829 0.25887632 0.48728165 0.09476598  -0.05297707 -0.05796966 167 ASN   A ND2  
871  H  H    . ASN   A 55  ? 0.31483236 0.25942621 0.45582131 0.11691568  -0.04143582 -0.05853876 167 ASN   A H    
872  H  HA   . ASN   A 55  ? 0.32556206 0.26300144 0.45575440 0.10948431  -0.04149380 -0.05866431 167 ASN   A HA   
873  H  HB2  . ASN   A 55  ? 0.33536851 0.26086360 0.46271983 0.10557482  -0.04461935 -0.06054084 167 ASN   A HB2  
874  H  HB3  . ASN   A 55  ? 0.33481896 0.26092547 0.46208075 0.10540609  -0.04471539 -0.06064791 167 ASN   A HB3  
875  H  HD21 . ASN   A 55  ? 0.34352368 0.25880304 0.48330921 0.09695181  -0.05041583 -0.05907527 167 ASN   A HD21 
876  H  HD22 . ASN   A 55  ? 0.34352538 0.25871986 0.48347414 0.09717055  -0.05097154 -0.05893096 167 ASN   A HD22 
877  N  N    . ARG   A 56  ? 0.32534182 0.27745083 0.44296798 0.10111554  -0.03025331 -0.05775976 168 ARG   A N    
878  C  CA   . ARG   A 56  ? 0.31460333 0.28064364 0.44816175 0.09605079  -0.02308733 -0.05383779 168 ARG   A CA   
879  C  C    . ARG   A 56  ? 0.28014839 0.26352721 0.42306298 0.07732438  -0.02513956 -0.04976277 168 ARG   A C    
880  O  O    . ARG   A 56  ? 0.24624653 0.24485478 0.42411503 0.09710045  -0.03119868 -0.04519828 168 ARG   A O    
881  C  CB   . ARG   A 56  ? 0.32913208 0.30399734 0.46937519 0.08898266  -0.02297831 -0.04906803 168 ARG   A CB   
882  C  CG   . ARG   A 56  ? 0.34743315 0.33439013 0.49398780 0.09500586  -0.01605846 -0.05092463 168 ARG   A CG   
883  C  CD   . ARG   A 56  ? 0.36476171 0.36148989 0.51312149 0.09109652  -0.02387483 -0.04682590 168 ARG   A CD   
884  N  NE   . ARG   A 56  ? 0.39959669 0.37401044 0.53376025 0.09923975  -0.02260357 -0.05223095 168 ARG   A NE   
885  C  CZ   . ARG   A 56  ? 0.41702524 0.38996536 0.54054302 0.09608132  -0.01241808 -0.05310145 168 ARG   A CZ   
886  N  NH1  . ARG   A 56  ? 0.43700123 0.38829893 0.55161130 0.09854894  -0.01876630 -0.05054219 168 ARG   A NH1  
887  N  NH2  . ARG   A 56  ? 0.43386444 0.37587768 0.54717994 0.09821027  -0.01493560 -0.05608456 168 ARG   A NH2  
888  H  H    . ARG   A 56  ? 0.32454276 0.27638096 0.44414064 0.10093064  -0.03013033 -0.05683790 168 ARG   A H    
889  H  HA   . ARG   A 56  ? 0.31178701 0.28012031 0.44644451 0.09210937  -0.02483733 -0.05267312 168 ARG   A HA   
890  H  HB2  . ARG   A 56  ? 0.32927743 0.30456278 0.46949983 0.09189729  -0.02153116 -0.05040668 168 ARG   A HB2  
891  H  HB3  . ARG   A 56  ? 0.32892668 0.30361456 0.46864474 0.09186667  -0.02151910 -0.05022454 168 ARG   A HB3  
892  H  HG2  . ARG   A 56  ? 0.34719616 0.33298907 0.49231604 0.09306319  -0.01954404 -0.04965265 168 ARG   A HG2  
893  H  HG3  . ARG   A 56  ? 0.34649318 0.33322448 0.49211463 0.09317848  -0.01918858 -0.04884185 168 ARG   A HG3  
894  H  HD2  . ARG   A 56  ? 0.36629301 0.35504013 0.51121104 0.09413836  -0.02221677 -0.04926386 168 ARG   A HD2  
895  H  HD3  . ARG   A 56  ? 0.36828342 0.35713524 0.51286006 0.09385731  -0.02178948 -0.04919498 168 ARG   A HD3  
896  H  HE   . ARG   A 56  ? 0.39541146 0.37585866 0.53048915 0.09701318  -0.02069612 -0.05153136 168 ARG   A HE   
897  H  HH11 . ARG   A 56  ? 0.43429041 0.38875142 0.54880816 0.09799564  -0.01846707 -0.05151527 168 ARG   A HH11 
898  H  HH12 . ARG   A 56  ? 0.43109256 0.38918972 0.54806447 0.09811319  -0.01732603 -0.05156721 168 ARG   A HH12 
899  H  HH21 . ARG   A 56  ? 0.43091989 0.37991703 0.54544544 0.09769151  -0.01558840 -0.05509497 168 ARG   A HH21 
900  H  HH22 . ARG   A 56  ? 0.42634413 0.37831816 0.54370618 0.09786575  -0.01467988 -0.05503085 168 ARG   A HH22 
901  N  N    . ARG   A 57  ? 0.24070345 0.25288254 0.40646589 0.06393103  -0.01645160 -0.05226742 169 ARG   A N    
902  C  CA   . ARG   A 57  ? 0.23112077 0.24423842 0.39731604 0.05264897  -0.01391093 -0.05433451 169 ARG   A CA   
903  C  C    . ARG   A 57  ? 0.20297469 0.23936032 0.39111039 0.05146126  -0.00309008 -0.05547863 169 ARG   A C    
904  O  O    . ARG   A 57  ? 0.23301721 0.24851710 0.39570364 0.02665943  0.01148474  -0.05887619 169 ARG   A O    
905  C  CB   . ARG   A 57  ? 0.24597681 0.25904912 0.39838099 0.05658982  -0.01667715 -0.05213142 169 ARG   A CB   
906  C  CG   . ARG   A 57  ? 0.25965166 0.27099711 0.39953592 0.05188577  -0.01792860 -0.05361948 169 ARG   A CG   
907  C  CD   . ARG   A 57  ? 0.26845330 0.29191947 0.40477753 0.05337685  -0.01998309 -0.04874322 169 ARG   A CD   
908  N  NE   . ARG   A 57  ? 0.28207833 0.31994116 0.40629920 0.05443890  -0.01650641 -0.04667097 169 ARG   A NE   
909  C  CZ   . ARG   A 57  ? 0.28946173 0.34737778 0.41681382 0.05946520  -0.01602678 -0.03574261 169 ARG   A CZ   
910  N  NH1  . ARG   A 57  ? 0.30108505 0.36675358 0.41983205 0.06004813  -0.01206210 -0.03190695 169 ARG   A NH1  
911  N  NH2  . ARG   A 57  ? 0.29337701 0.36626032 0.42723867 0.05830047  -0.01478339 -0.03134435 169 ARG   A NH2  
912  H  H    . ARG   A 57  ? 0.24713089 0.25332966 0.40667516 0.06473970  -0.01716668 -0.05235471 169 ARG   A H    
913  H  HA   . ARG   A 57  ? 0.22903788 0.24673572 0.39804250 0.05532899  -0.01300608 -0.05364145 169 ARG   A HA   
914  H  HB2  . ARG   A 57  ? 0.24526045 0.25811124 0.39859742 0.05468632  -0.01644527 -0.05304363 169 ARG   A HB2  
915  H  HB3  . ARG   A 57  ? 0.24398805 0.25775117 0.39818820 0.05454117  -0.01612775 -0.05278184 169 ARG   A HB3  
916  H  HG2  . ARG   A 57  ? 0.25802156 0.27220917 0.40040883 0.05328484  -0.01819634 -0.05214385 169 ARG   A HG2  
917  H  HG3  . ARG   A 57  ? 0.25819618 0.27250895 0.40044296 0.05332803  -0.01813042 -0.05215469 169 ARG   A HG3  
918  H  HD2  . ARG   A 57  ? 0.26957104 0.29342246 0.40406245 0.05314872  -0.01879597 -0.04925753 169 ARG   A HD2  
919  H  HD3  . ARG   A 57  ? 0.26935586 0.29284912 0.40397426 0.05300989  -0.01876782 -0.04943711 169 ARG   A HD3  
920  H  HE   . ARG   A 57  ? 0.28090560 0.31870747 0.40824288 0.05553326  -0.01731824 -0.04465872 169 ARG   A HE   
921  H  HH11 . ARG   A 57  ? 0.29869559 0.36062691 0.41984397 0.05937023  -0.01247274 -0.03363556 169 ARG   A HH11 
922  H  HH12 . ARG   A 57  ? 0.29941195 0.35986352 0.41895783 0.05997919  -0.01354139 -0.03348885 169 ARG   A HH12 
923  H  HH21 . ARG   A 57  ? 0.29252794 0.35981590 0.42469835 0.05800158  -0.01442903 -0.03339058 169 ARG   A HH21 
924  H  HH22 . ARG   A 57  ? 0.29166949 0.35864824 0.42431498 0.05866322  -0.01545858 -0.03412825 169 ARG   A HH22 
925  N  N    . VAL   A 58  ? 0.16534416 0.22691055 0.38542250 0.04463872  -0.00534072 -0.05245440 170 VAL   A N    
926  C  CA   . VAL   A 58  ? 0.15309303 0.21497877 0.38468653 0.04662510  -0.00137348 -0.05062741 170 VAL   A CA   
927  C  C    . VAL   A 58  ? 0.13872877 0.20938776 0.37651169 0.03918685  0.00260042  -0.04507135 170 VAL   A C    
928  O  O    . VAL   A 58  ? 0.13467947 0.20417026 0.38297710 0.03912366  0.00658015  -0.04872602 170 VAL   A O    
929  C  CB   . VAL   A 58  ? 0.15667629 0.22044475 0.39022499 0.04687305  -0.00392353 -0.05291180 170 VAL   A CB   
930  C  CG1  . VAL   A 58  ? 0.15310362 0.22415875 0.38859543 0.04574511  -0.00460587 -0.05574783 170 VAL   A CG1  
931  C  CG2  . VAL   A 58  ? 0.15177670 0.22614139 0.39389762 0.04714980  -0.00338024 -0.05404028 170 VAL   A CG2  
932  H  H    . VAL   A 58  ? 0.16959012 0.22669166 0.38591588 0.04621238  -0.00304712 -0.05235451 170 VAL   A H    
933  H  HA   . VAL   A 58  ? 0.15370294 0.21732795 0.38429913 0.04476939  -0.00178755 -0.05036620 170 VAL   A HA   
934  H  HB   . VAL   A 58  ? 0.15462555 0.22144207 0.38967696 0.04643172  -0.00362812 -0.05302528 170 VAL   A HB   
935  H  HG11 . VAL   A 58  ? 0.15389878 0.22283719 0.38892731 0.04599852  -0.00432418 -0.05483138 170 VAL   A HG11 
936  H  HG12 . VAL   A 58  ? 0.15406102 0.22290917 0.38899046 0.04597368  -0.00443773 -0.05491492 170 VAL   A HG12 
937  H  HG13 . VAL   A 58  ? 0.15396376 0.22297753 0.38895246 0.04608874  -0.00449086 -0.05486068 170 VAL   A HG13 
938  H  HG21 . VAL   A 58  ? 0.15323091 0.22457622 0.39280254 0.04699314  -0.00351362 -0.05362641 170 VAL   A HG21 
939  H  HG22 . VAL   A 58  ? 0.15324163 0.22452390 0.39301375 0.04704379  -0.00364493 -0.05375857 170 VAL   A HG22 
940  H  HG23 . VAL   A 58  ? 0.15295176 0.22439778 0.39252490 0.04669575  -0.00342390 -0.05341333 170 VAL   A HG23 
941  N  N    . ILE   A 59  ? 0.13099003 0.21023197 0.36814508 0.03342702  0.00063013  -0.03962145 171 ILE   A N    
942  C  CA   . ILE   A 59  ? 0.13417573 0.21562146 0.36397237 0.03201868  0.00459552  -0.03799184 171 ILE   A CA   
943  C  C    . ILE   A 59  ? 0.11879969 0.20352331 0.35774845 0.02676486  0.01021486  -0.03231638 171 ILE   A C    
944  O  O    . ILE   A 59  ? 0.12793976 0.22355294 0.36533463 0.00991036  0.01810728  -0.02885717 171 ILE   A O    
945  C  CB   . ILE   A 59  ? 0.15584597 0.22407061 0.37264526 0.03884970  0.00362056  -0.03891592 171 ILE   A CB   
946  C  CG1  . ILE   A 59  ? 0.17224696 0.23955984 0.37500897 0.04359530  0.00191988  -0.04098226 171 ILE   A CG1  
947  C  CG2  . ILE   A 59  ? 0.16462803 0.22549516 0.37326282 0.04365849  0.00045785  -0.03923458 171 ILE   A CG2  
948  C  CD1  . ILE   A 59  ? 0.17551321 0.24327475 0.37509906 0.04010602  0.00179213  -0.04561771 171 ILE   A CD1  
949  H  H    . ILE   A 59  ? 0.13357995 0.21146369 0.36898556 0.03451194  0.00237764  -0.04053119 171 ILE   A H    
950  H  HA   . ILE   A 59  ? 0.13399404 0.21322522 0.36503056 0.03247216  0.00470462  -0.03735587 171 ILE   A HA   
951  H  HB   . ILE   A 59  ? 0.15577056 0.22596546 0.37169486 0.03874231  0.00320031  -0.03887126 171 ILE   A HB   
952  H  HG12 . ILE   A 59  ? 0.16888976 0.23709700 0.37469202 0.04108511  0.00196367  -0.04117119 171 ILE   A HG12 
953  H  HG13 . ILE   A 59  ? 0.16901408 0.23731896 0.37478143 0.04161864  0.00220289  -0.04185878 171 ILE   A HG13 
954  H  HG21 . ILE   A 59  ? 0.16236851 0.22510895 0.37310991 0.04241676  0.00128658  -0.03913924 171 ILE   A HG21 
955  H  HG22 . ILE   A 59  ? 0.16369030 0.22559157 0.37331423 0.04296210  0.00086722  -0.03943516 171 ILE   A HG22 
956  H  HG23 . ILE   A 59  ? 0.16222718 0.22508232 0.37320796 0.04237124  0.00142689  -0.03909460 171 ILE   A HG23 
957  H  HD11 . ILE   A 59  ? 0.17454970 0.24252546 0.37517020 0.04073426  0.00158820  -0.04403237 171 ILE   A HD11 
958  H  HD12 . ILE   A 59  ? 0.17438449 0.24226193 0.37490809 0.04101615  0.00168908  -0.04432224 171 ILE   A HD12 
959  H  HD13 . ILE   A 59  ? 0.17383231 0.24235393 0.37526020 0.04098466  0.00172072  -0.04458828 171 ILE   A HD13 
960  N  N    . VAL   A 60  ? 0.10236564 0.18901867 0.35218003 0.02029048  0.01083674  -0.02547159 172 VAL   A N    
961  C  CA   . VAL   A 60  ? 0.09570035 0.19515458 0.34675750 0.02073977  0.01340313  -0.01889675 172 VAL   A CA   
962  C  C    . VAL   A 60  ? 0.08775675 0.18933192 0.34115720 0.01604161  0.01061134  -0.01742419 172 VAL   A C    
963  O  O    . VAL   A 60  ? 0.08754305 0.19771957 0.34615013 0.02305119  0.01021977  -0.02079264 172 VAL   A O    
964  C  CB   . VAL   A 60  ? 0.11560013 0.19970451 0.35193461 0.01520425  0.01655900  -0.01536109 172 VAL   A CB   
965  C  CG1  . VAL   A 60  ? 0.12480581 0.20177299 0.34813181 0.01495220  0.01730170  -0.01484152 172 VAL   A CG1  
966  C  CG2  . VAL   A 60  ? 0.12413409 0.20050701 0.35554454 0.01816252  0.01848720  -0.01245903 172 VAL   A CG2  
967  H  H    . VAL   A 60  ? 0.10216935 0.19354391 0.35231552 0.02100082  0.01146245  -0.02558506 172 VAL   A H    
968  H  HA   . VAL   A 60  ? 0.09713371 0.19364819 0.34748831 0.01841097  0.01331690  -0.01924567 172 VAL   A HA   
969  H  HB   . VAL   A 60  ? 0.11494182 0.19931795 0.35084912 0.01678885  0.01641249  -0.01542325 172 VAL   A HB   
970  H  HG11 . VAL   A 60  ? 0.12361520 0.20134623 0.34934720 0.01543535  0.01670410  -0.01502706 172 VAL   A HG11 
971  H  HG12 . VAL   A 60  ? 0.12237612 0.20149001 0.34933573 0.01489055  0.01682924  -0.01480161 172 VAL   A HG12 
972  H  HG13 . VAL   A 60  ? 0.12241538 0.20116954 0.34926903 0.01509515  0.01696374  -0.01488637 172 VAL   A HG13 
973  H  HG21 . VAL   A 60  ? 0.12210084 0.20027557 0.35458896 0.01753020  0.01773699  -0.01329486 172 VAL   A HG21 
974  H  HG22 . VAL   A 60  ? 0.12216748 0.20046437 0.35525963 0.01763055  0.01825516  -0.01309165 172 VAL   A HG22 
975  H  HG23 . VAL   A 60  ? 0.12313633 0.20095444 0.35495591 0.01769804  0.01757181  -0.01339337 172 VAL   A HG23 
976  N  N    . CYS   A 61  ? 0.07705896 0.18990473 0.33607978 0.01656934  0.01092265  -0.01466417 173 CYS   A N    
977  C  CA   . CYS   A 61  ? 0.07810540 0.18660180 0.33717752 0.01489337  0.00791748  -0.01072404 173 CYS   A CA   
978  C  C    . CYS   A 61  ? 0.06693637 0.18463582 0.33335245 0.01292833  0.01088222  -0.00697624 173 CYS   A C    
979  O  O    . CYS   A 61  ? 0.06450569 0.19646707 0.33573696 0.01487459  0.01773885  -0.00708623 173 CYS   A O    
980  C  CB   . CYS   A 61  ? 0.09422408 0.18969680 0.34252238 0.01572605  0.00351940  -0.01006609 173 CYS   A CB   
981  S  SG   . CYS   A 61  ? 0.13452780 0.20597279 0.34953374 0.01463751  -0.01156982 -0.00771825 173 CYS   A SG   
982  H  H    . CYS   A 61  ? 0.07738366 0.18907958 0.33741850 0.01631494  0.01099234  -0.01454178 173 CYS   A H    
983  H  HA   . CYS   A 61  ? 0.07837088 0.18729196 0.33714843 0.01496490  0.00840808  -0.01070325 173 CYS   A HA   
984  H  HB2  . CYS   A 61  ? 0.09450459 0.19141629 0.34205908 0.01516504  0.00268054  -0.00987837 173 CYS   A HB2  
985  H  HB3  . CYS   A 61  ? 0.09612155 0.19070713 0.34190971 0.01552969  0.00233947  -0.01032499 173 CYS   A HB3  
986  H  HG   . CYS   A 61  ? 0.23222815 0.23222815 0.23222815 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
987  N  N    . ASN   A 62  ? 0.06710780 0.17550766 0.32997438 0.00816903  0.01184359  -0.00232936 174 ASN   A N    
988  C  CA   . ASN   A 62  ? 0.07263700 0.17406212 0.33023506 0.00736632  0.00897765  -0.00239129 174 ASN   A CA   
989  C  C    . ASN   A 62  ? 0.07118475 0.17253847 0.32888961 0.00539645  0.00898234  -0.00072153 174 ASN   A C    
990  O  O    . ASN   A 62  ? 0.06576999 0.16740149 0.32379925 0.00262026  0.01263984  -0.00479563 174 ASN   A O    
991  C  CB   . ASN   A 62  ? 0.07729737 0.17557594 0.33286682 0.00587123  0.00406471  -0.00009715 174 ASN   A CB   
992  C  CG   . ASN   A 62  ? 0.08275925 0.17870091 0.33725324 0.00368372  -0.00159047 0.00186694  174 ASN   A CG   
993  O  OD1  . ASN   A 62  ? 0.08346410 0.18631677 0.34711108 0.00290207  -0.01116345 0.00383392  174 ASN   A OD1  
994  N  ND2  . ASN   A 62  ? 0.09705831 0.18056189 0.34219968 -0.00007741 -0.00578068 0.00356246  174 ASN   A ND2  
995  H  H    . ASN   A 62  ? 0.06783329 0.17736004 0.33088636 0.00933718  0.01084822  -0.00350021 174 ASN   A H    
996  H  HA   . ASN   A 62  ? 0.07255282 0.17466411 0.33059254 0.00708242  0.00847527  -0.00169611 174 ASN   A HA   
997  H  HB2  . ASN   A 62  ? 0.07724778 0.17599748 0.33317193 0.00582843  0.00410627  -0.00032287 174 ASN   A HB2  
998  H  HB3  . ASN   A 62  ? 0.07728387 0.17591999 0.33316880 0.00571814  0.00405195  -0.00019611 174 ASN   A HB3  
999  H  HD21 . ASN   A 62  ? 0.09264536 0.18024555 0.34075877 0.00128058  -0.00422751 0.00305383  174 ASN   A HD21 
1000 H  HD22 . ASN   A 62  ? 0.09324279 0.18052630 0.34135565 0.00123659  -0.00386616 0.00301215  174 ASN   A HD22 
1001 N  N    . THR   A 63  ? 0.06582012 0.18043403 0.33103043 -0.00058289 0.00620902  0.00126605  175 THR   A N    
1002 C  CA   . THR   A 63  ? 0.06334382 0.18955626 0.33387607 -0.00001714 0.00673803  0.00354582  175 THR   A CA   
1003 C  C    . THR   A 63  ? 0.07725856 0.20113993 0.33633882 0.00441651  0.00265285  0.00359687  175 THR   A C    
1004 O  O    . THR   A 63  ? 0.08765000 0.20737213 0.34126541 0.01252066  0.00058497  0.00992616  175 THR   A O    
1005 C  CB   . THR   A 63  ? 0.06654514 0.19086418 0.33459368 -0.00517261 0.00814115  0.00770083  175 THR   A CB   
1006 O  OG1  . THR   A 63  ? 0.07344651 0.18950754 0.33444512 -0.00058074 0.01032454  0.00636636  175 THR   A OG1  
1007 C  CG2  . THR   A 63  ? 0.06172775 0.19451527 0.33327246 -0.00861439 0.01009407  0.00911023  175 THR   A CG2  
1008 H  H    . THR   A 63  ? 0.06673570 0.18059233 0.33121997 0.00111712  0.00689729  0.00129050  175 THR   A H    
1009 H  HA   . THR   A 63  ? 0.06452530 0.18966591 0.33359012 0.00021660  0.00562137  0.00389246  175 THR   A HA   
1010 H  HB   . THR   A 63  ? 0.06684785 0.19122024 0.33419144 -0.00419549 0.00859533  0.00690606  175 THR   A HB   
1011 H  HG1  . THR   A 63  ? 0.20176846 0.20176846 0.20176846 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1012 H  HG21 . THR   A 63  ? 0.06294640 0.19313908 0.33367556 -0.00776879 0.00949902  0.00870657  175 THR   A HG21 
1013 H  HG22 . THR   A 63  ? 0.06249611 0.19333278 0.33362347 -0.00744817 0.00946962  0.00867619  175 THR   A HG22 
1014 H  HG23 . THR   A 63  ? 0.06349038 0.19374402 0.33377585 -0.00749755 0.00941363  0.00869129  175 THR   A HG23 
1015 N  N    . LYS   A 64  ? 0.08457185 0.21031228 0.34093288 0.00785439  0.00483309  0.00325047  176 LYS   A N    
1016 C  CA   . LYS   A 64  ? 0.09832302 0.21773604 0.34638661 0.00801810  0.00155059  0.00336263  176 LYS   A CA   
1017 C  C    . LYS   A 64  ? 0.09437940 0.21345615 0.34460914 0.01467392  -0.00012574 0.00248192  176 LYS   A C    
1018 O  O    . LYS   A 64  ? 0.09736273 0.22493748 0.34657985 0.02441523  -0.00345469 -0.00282065 176 LYS   A O    
1019 C  CB   . LYS   A 64  ? 0.12110560 0.23454556 0.36086017 -0.00711050 0.00482692  0.00430468  176 LYS   A CB   
1020 C  CG   . LYS   A 64  ? 0.14996581 0.25031513 0.37315667 -0.00510928 0.00119858  0.00618279  176 LYS   A CG   
1021 C  CD   . LYS   A 64  ? 0.17444551 0.26913330 0.39144352 -0.02372301 0.00188298  0.00429736  176 LYS   A CD   
1022 C  CE   . LYS   A 64  ? 0.20823599 0.28863347 0.40918291 -0.01600940 -0.00065429 0.00504256  176 LYS   A CE   
1023 N  NZ   . LYS   A 64  ? 0.22734356 0.30978537 0.42723888 -0.03033683 0.00002606  0.00170140  176 LYS   A NZ   
1024 H  H    . LYS   A 64  ? 0.08512319 0.20915873 0.34077913 0.00701012  0.00357518  0.00339824  176 LYS   A H    
1025 H  HA   . LYS   A 64  ? 0.09792157 0.21782646 0.34714845 0.00753243  0.00210341  0.00343676  176 LYS   A HA   
1026 H  HB2  . LYS   A 64  ? 0.12168793 0.23367879 0.35982877 -0.00303182 0.00328147  0.00466911  176 LYS   A HB2  
1027 H  HB3  . LYS   A 64  ? 0.12314525 0.23431276 0.35954496 -0.00419928 0.00305342  0.00456017  176 LYS   A HB3  
1028 H  HG2  . LYS   A 64  ? 0.14716479 0.24992663 0.37397110 -0.00912936 0.00234832  0.00553179  176 LYS   A HG2  
1029 H  HG3  . LYS   A 64  ? 0.14677809 0.24942946 0.37388998 -0.00857524 0.00241595  0.00520941  176 LYS   A HG3  
1030 H  HD2  . LYS   A 64  ? 0.17497075 0.26827744 0.39044198 -0.01761764 0.00111029  0.00507991  176 LYS   A HD2  
1031 H  HD3  . LYS   A 64  ? 0.17603488 0.26915273 0.39098525 -0.01841234 0.00044039  0.00563591  176 LYS   A HD3  
1032 H  HE2  . LYS   A 64  ? 0.20441526 0.28804559 0.40868211 -0.02039489 0.00050150  0.00438627  176 LYS   A HE2  
1033 H  HE3  . LYS   A 64  ? 0.20363608 0.28796360 0.40838638 -0.02082188 0.00030128  0.00407314  176 LYS   A HE3  
1034 H  HZ1  . LYS   A 64  ? 0.22267829 0.30536991 0.42355070 -0.02732930 -0.00136042 0.00400737  176 LYS   A HZ1  
1035 H  HZ2  . LYS   A 64  ? 0.22179739 0.30400771 0.42377982 -0.02600824 0.00059204  0.00304715  176 LYS   A HZ2  
1036 H  HZ3  . LYS   A 64  ? 0.22161695 0.30690056 0.42312798 -0.02650971 -0.00003469 0.00135564  176 LYS   A HZ3  
1037 N  N    . LEU   A 65  ? 0.09781991 0.21832275 0.34373531 0.01667009  -0.00403742 0.00363558  177 LEU   A N    
1038 C  CA   . LEU   A 65  ? 0.10851852 0.23638807 0.34836224 0.01367888  -0.00352875 0.00047097  177 LEU   A CA   
1039 C  C    . LEU   A 65  ? 0.13190120 0.24840723 0.34966710 0.01878847  -0.00546236 0.00066362  177 LEU   A C    
1040 O  O    . LEU   A 65  ? 0.15123819 0.24663730 0.34575590 0.02418729  -0.01122607 0.00213717  177 LEU   A O    
1041 C  CB   . LEU   A 65  ? 0.11679079 0.24639785 0.35592088 0.00644937  -0.00161842 0.00289693  177 LEU   A CB   
1042 C  CG   . LEU   A 65  ? 0.13276213 0.25203335 0.36065063 -0.00199704 0.00158447  0.00475189  177 LEU   A CG   
1043 C  CD1  . LEU   A 65  ? 0.13853920 0.25293371 0.36905551 -0.00547838 0.00608870  0.00785662  177 LEU   A CD1  
1044 C  CD2  . LEU   A 65  ? 0.14384776 0.25341541 0.36409032 0.00062473  0.00147369  0.00731242  177 LEU   A CD2  
1045 H  H    . LEU   A 65  ? 0.09792229 0.21982431 0.34495494 0.01661461  -0.00280075 0.00259436  177 LEU   A H    
1046 H  HA   . LEU   A 65  ? 0.11114009 0.23586321 0.34918180 0.01479423  -0.00355231 0.00159685  177 LEU   A HA   
1047 H  HB2  . LEU   A 65  ? 0.11784732 0.24505900 0.35516360 0.00658530  -0.00140574 0.00281229  177 LEU   A HB2  
1048 H  HB3  . LEU   A 65  ? 0.11816349 0.24540530 0.35539702 0.00637467  -0.00136348 0.00300081  177 LEU   A HB3  
1049 H  HG   . LEU   A 65  ? 0.13249636 0.25096056 0.36175171 -0.00085942 0.00191197  0.00507325  177 LEU   A HG   
1050 H  HD11 . LEU   A 65  ? 0.13771197 0.25344193 0.36674535 -0.00518065 0.00483362  0.00694653  177 LEU   A HD11 
1051 H  HD12 . LEU   A 65  ? 0.13700567 0.25304681 0.36703575 -0.00459243 0.00475843  0.00684131  177 LEU   A HD12 
1052 H  HD13 . LEU   A 65  ? 0.13700804 0.25335672 0.36720917 -0.00456490 0.00480656  0.00742976  177 LEU   A HD13 
1053 H  HD21 . LEU   A 65  ? 0.14164363 0.25340307 0.36285990 0.00135574  0.00144529  0.00651313  177 LEU   A HD21 
1054 H  HD22 . LEU   A 65  ? 0.14074461 0.25339577 0.36340725 0.00018410  0.00147206  0.00686697  177 LEU   A HD22 
1055 H  HD23 . LEU   A 65  ? 0.14074427 0.25318080 0.36317343 0.00020247  0.00147781  0.00654488  177 LEU   A HD23 
1056 N  N    . ASP   A 66  ? 0.15275925 0.26581880 0.35773584 0.02780742  -0.00667508 -0.00298807 178 ASP   A N    
1057 C  CA   . ASP   A 66  ? 0.18959378 0.29165411 0.36777565 0.02528543  -0.00610369 -0.00268261 178 ASP   A CA   
1058 C  C    . ASP   A 66  ? 0.20574102 0.28849697 0.36040530 0.03311001  -0.00330613 0.00464617  178 ASP   A C    
1059 O  O    . ASP   A 66  ? 0.19908901 0.29960376 0.36433625 0.03262491  -0.01069246 0.00334954  178 ASP   A O    
1060 C  CB   . ASP   A 66  ? 0.20809890 0.31730816 0.39064282 0.02333925  -0.01605227 -0.01098700 178 ASP   A CB   
1061 C  CG   . ASP   A 66  ? 0.24017721 0.33367503 0.41807440 0.01994389  -0.01693885 -0.02343204 178 ASP   A CG   
1062 O  OD1  . ASP   A 66  ? 0.26260734 0.34521002 0.43824795 0.03179765  -0.02077455 -0.03041850 178 ASP   A OD1  
1063 O  OD2  . ASP   A 66  ? 0.24645671 0.37183625 0.45618924 0.01704453  -0.02205180 -0.03214243 178 ASP   A OD2  
1064 H  H    . ASP   A 66  ? 0.15267912 0.26451346 0.35726544 0.02578546  -0.00649195 -0.00161025 178 ASP   A H    
1065 H  HA   . ASP   A 66  ? 0.18801615 0.28967935 0.36888430 0.02664378  -0.00783695 -0.00263149 178 ASP   A HA   
1066 H  HB2  . ASP   A 66  ? 0.20985259 0.31338829 0.39021757 0.02296601  -0.01412159 -0.01132681 178 ASP   A HB2  
1067 H  HB3  . ASP   A 66  ? 0.20998447 0.31407654 0.39052993 0.02313678  -0.01381827 -0.01154838 178 ASP   A HB3  
1068 N  N    . ASN   A 67  ? 0.21126160 0.28353566 0.36070269 0.03116856  -0.00006273 0.00919848  179 ASN   A N    
1069 C  CA   . ASN   A 67  ? 0.25343904 0.28466228 0.36828497 0.02867839  -0.00127964 0.01905093  179 ASN   A CA   
1070 C  C    . ASN   A 67  ? 0.27382883 0.28007290 0.36605549 0.03590314  -0.00462563 0.01691228  179 ASN   A C    
1071 O  O    . ASN   A 67  ? 0.32381034 0.27900940 0.37551153 0.03287422  -0.00503277 0.02044841  179 ASN   A O    
1072 C  CB   . ASN   A 67  ? 0.26793769 0.28707185 0.37548029 0.03399892  0.00055930  0.02334158  179 ASN   A CB   
1073 C  CG   . ASN   A 67  ? 0.25820261 0.28564587 0.38548076 0.03952136  -0.00110458 0.03134616  179 ASN   A CG   
1074 O  OD1  . ASN   A 67  ? 0.26390716 0.26192087 0.39071575 0.05006286  0.00391427  0.03346930  179 ASN   A OD1  
1075 N  ND2  . ASN   A 67  ? 0.25989661 0.28532070 0.39757034 0.04585228  -0.00167457 0.03520840  179 ASN   A ND2  
1076 H  H    . ASN   A 67  ? 0.21706404 0.28430024 0.36186591 0.03114176  -0.00138897 0.01023889  179 ASN   A H    
1077 H  HA   . ASN   A 67  ? 0.25080004 0.28393707 0.36844927 0.03130875  -0.00081519 0.01754492  179 ASN   A HA   
1078 H  HB2  . ASN   A 67  ? 0.26149672 0.28635389 0.37576386 0.03384304  -0.00018792 0.02368942  179 ASN   A HB2  
1079 H  HB3  . ASN   A 67  ? 0.26359206 0.28711516 0.37647551 0.03309413  0.00031988  0.02356753  179 ASN   A HB3  
1080 H  HD21 . ASN   A 67  ? 0.25969991 0.28550604 0.39345586 0.04387522  -0.00141020 0.03386536  179 ASN   A HD21 
1081 H  HD22 . ASN   A 67  ? 0.26041207 0.28565148 0.39368930 0.04452686  -0.00126259 0.03408163  179 ASN   A HD22 
1082 N  N    . ASN   A 68  ? 0.25530115 0.27960792 0.36077422 0.03844811  -0.00777242 0.01113627  180 ASN   A N    
1083 C  CA   . ASN   A 68  ? 0.25669739 0.27698374 0.36740837 0.04247077  -0.01081721 0.00832647  180 ASN   A CA   
1084 C  C    . ASN   A 68  ? 0.20062871 0.25162861 0.35615784 0.04588567  -0.01630187 0.00329651  180 ASN   A C    
1085 O  O    . ASN   A 68  ? 0.17743224 0.24482888 0.35266942 0.05542226  -0.02806389 0.00017164  180 ASN   A O    
1086 C  CB   . ASN   A 68  ? 0.27550638 0.29912713 0.37718225 0.04285917  -0.01657267 0.00240997  180 ASN   A CB   
1087 C  CG   . ASN   A 68  ? 0.32095921 0.31650436 0.38809407 0.03544573  -0.01081187 0.00394345  180 ASN   A CG   
1088 O  OD1  . ASN   A 68  ? 0.35954040 0.34667230 0.41118449 0.02350757  -0.01538321 -0.01343880 180 ASN   A OD1  
1089 N  ND2  . ASN   A 68  ? 0.34359980 0.31583092 0.39447209 0.02860274  -0.00843415 0.00440111  180 ASN   A ND2  
1090 H  H    . ASN   A 68  ? 0.25799567 0.27939773 0.36335543 0.03843496  -0.00757795 0.01174526  180 ASN   A H    
1091 H  HA   . ASN   A 68  ? 0.24791688 0.27626672 0.36551729 0.04231481  -0.01222934 0.00689426  180 ASN   A HA   
1092 H  HB2  . ASN   A 68  ? 0.27908170 0.29851386 0.37684792 0.04155351  -0.01401095 0.00369230  180 ASN   A HB2  
1093 H  HB3  . ASN   A 68  ? 0.27872157 0.29687858 0.37662691 0.04174366  -0.01357261 0.00382921  180 ASN   A HB3  
1094 H  HD21 . ASN   A 68  ? 0.33454299 0.31588629 0.39253423 0.03097868  -0.00936483 0.00474542  180 ASN   A HD21 
1095 H  HD22 . ASN   A 68  ? 0.33619672 0.31623647 0.39338103 0.03079062  -0.00945125 0.00411893  180 ASN   A HD22 
1096 N  N    . TRP   A 69  ? 0.17026493 0.23858497 0.35191539 0.04456706  -0.01422746 0.00868421  181 TRP   A N    
1097 C  CA   . TRP   A 69  ? 0.14720662 0.23318967 0.35142303 0.03914735  -0.00717480 0.00607514  181 TRP   A CA   
1098 C  C    . TRP   A 69  ? 0.14054798 0.24264759 0.35648647 0.03706764  -0.01271310 0.00542015  181 TRP   A C    
1099 O  O    . TRP   A 69  ? 0.14816925 0.25844648 0.36504921 0.05065613  -0.01492000 0.00565765  181 TRP   A O    
1100 C  CB   . TRP   A 69  ? 0.15441269 0.22836785 0.34826386 0.03874352  0.00047558  0.00759320  181 TRP   A CB   
1101 C  CG   . TRP   A 69  ? 0.15319575 0.21992998 0.34442082 0.03777723  0.00697388  0.01019333  181 TRP   A CG   
1102 C  CD1  . TRP   A 69  ? 0.15797420 0.21985334 0.35012993 0.03838982  0.00967239  0.01075301  181 TRP   A CD1  
1103 C  CD2  . TRP   A 69  ? 0.14741945 0.21895784 0.34323692 0.03701276  0.01093549  0.00824165  181 TRP   A CD2  
1104 N  NE1  . TRP   A 69  ? 0.16120523 0.22491044 0.34857979 0.02979300  0.00705083  0.01109996  181 TRP   A NE1  
1105 C  CE2  . TRP   A 69  ? 0.15551387 0.22491382 0.34364712 0.03210661  0.01057901  0.01003108  181 TRP   A CE2  
1106 C  CE3  . TRP   A 69  ? 0.14935470 0.21868619 0.34250811 0.03657890  0.01501783  0.00643352  181 TRP   A CE3  
1107 C  CZ2  . TRP   A 69  ? 0.14605843 0.22661737 0.34233519 0.03310096  0.01625062  0.00734546  181 TRP   A CZ2  
1108 C  CZ3  . TRP   A 69  ? 0.15069145 0.22254492 0.34674144 0.03505401  0.01396488  0.00749919  181 TRP   A CZ3  
1109 C  CH2  . TRP   A 69  ? 0.14371093 0.22712857 0.34399799 0.03570019  0.01332068  0.00716710  181 TRP   A CH2  
1110 H  H    . TRP   A 69  ? 0.17199741 0.23900408 0.35261390 0.04336455  -0.01276586 0.00740514  181 TRP   A H    
1111 H  HA   . TRP   A 69  ? 0.15096948 0.23470888 0.35183963 0.04019522  -0.00844578 0.00695654  181 TRP   A HA   
1112 H  HB2  . TRP   A 69  ? 0.15278003 0.22799791 0.34828988 0.03836828  0.00034008  0.00760230  181 TRP   A HB2  
1113 H  HB3  . TRP   A 69  ? 0.15249981 0.22767527 0.34824997 0.03855608  0.00019193  0.00778944  181 TRP   A HB3  
1114 H  HD1  . TRP   A 69  ? 0.15745056 0.22099213 0.34827238 0.03633411  0.00840405  0.01075755  181 TRP   A HD1  
1115 H  HE1  . TRP   A 69  ? 0.15888722 0.22367100 0.34769455 0.03245202  0.00855779  0.01072701  181 TRP   A HE1  
1116 H  HE3  . TRP   A 69  ? 0.14912024 0.21973549 0.34366441 0.03621513  0.01380879  0.00714997  181 TRP   A HE3  
1117 H  HZ2  . TRP   A 69  ? 0.14662024 0.22591712 0.34302965 0.03293184  0.01444380  0.00805045  181 TRP   A HZ2  
1118 H  HZ3  . TRP   A 69  ? 0.14875925 0.22279772 0.34511742 0.03554652  0.01402061  0.00713236  181 TRP   A HZ3  
1119 H  HH2  . TRP   A 69  ? 0.14476620 0.22566736 0.34387010 0.03540731  0.01344869  0.00757195  181 TRP   A HH2  
1120 N  N    . GLY   A 70  ? 0.10886236 0.24704292 0.36125851 0.03021884  -0.01079279 0.00669208  182 GLY   A N    
1121 C  CA   . GLY   A 70  ? 0.11180925 0.25153440 0.36348420 0.02649541  -0.00640526 0.00467907  182 GLY   A CA   
1122 C  C    . GLY   A 70  ? 0.10947918 0.25967842 0.36728916 0.02375855  -0.00315509 0.00308710  182 GLY   A C    
1123 O  O    . GLY   A 70  ? 0.09555858 0.25197813 0.36974710 0.02529627  0.00555807  0.00759365  182 GLY   A O    
1124 H  H    . GLY   A 70  ? 0.11450392 0.24640559 0.35948923 0.03222468  -0.01191171 0.00663709  182 GLY   A H    
1125 H  HA2  . GLY   A 70  ? 0.11105703 0.25216746 0.36394173 0.02696340  -0.00667201 0.00482178  182 GLY   A HA2  
1126 H  HA3  . GLY   A 70  ? 0.11071099 0.25201958 0.36383662 0.02679865  -0.00670348 0.00486774  182 GLY   A HA3  
1127 N  N    . ARG   A 71  ? 0.11271527 0.27116212 0.37095252 0.01350167  -0.00099368 0.00069492  183 ARG   A N    
1128 C  CA   A ARG   A 71  ? 0.12525815 0.28305441 0.37641618 0.01776385  0.00175999  -0.00352549 183 ARG   A CA   
1129 C  CA   B ARG   A 71  ? 0.12396701 0.28239575 0.37484378 0.01795456  0.00245427  -0.00167639 183 ARG   A CA   
1130 C  C    . ARG   A 71  ? 0.11317846 0.27881894 0.37097579 0.01634496  0.00684759  -0.00308537 183 ARG   A C    
1131 O  O    . ARG   A 71  ? 0.13737364 0.27113932 0.37559792 0.01094333  0.01129998  0.00270916  183 ARG   A O    
1132 C  CB   A ARG   A 71  ? 0.13447349 0.29554600 0.38982490 0.01363828  0.00455463  -0.00554150 183 ARG   A CB   
1133 C  CB   B ARG   A 71  ? 0.13092753 0.29426613 0.38483739 0.01536733  0.00476602  -0.00125406 183 ARG   A CB   
1134 C  CG   A ARG   A 71  ? 0.14580841 0.30687460 0.39620495 0.01899878  0.00053954  -0.00940857 183 ARG   A CG   
1135 C  CG   B ARG   A 71  ? 0.14426135 0.30391660 0.38820484 0.02044983  0.00589289  -0.00239114 183 ARG   A CG   
1136 C  CD   A ARG   A 71  ? 0.15482089 0.31419688 0.40596238 0.01881485  0.00497959  -0.00950058 183 ARG   A CD   
1137 C  CD   B ARG   A 71  ? 0.14428891 0.30749363 0.39631817 0.02569027  0.00913417  -0.00234485 183 ARG   A CD   
1138 N  NE   A ARG   A 71  ? 0.17476979 0.32418907 0.41196221 0.02112163  -0.00298001 -0.01173751 183 ARG   A NE   
1139 N  NE   B ARG   A 71  ? 0.14781411 0.30810788 0.40135691 0.03403964  0.00949090  -0.00077563 183 ARG   A NE   
1140 C  CZ   A ARG   A 71  ? 0.18496273 0.32950896 0.42542827 0.02817333  -0.00691023 -0.01440262 183 ARG   A CZ   
1141 C  CZ   B ARG   A 71  ? 0.14166217 0.30620837 0.40050626 0.03225482  0.01571441  -0.00135611 183 ARG   A CZ   
1142 N  NH1  A ARG   A 71  ? 0.18257710 0.33168420 0.43394724 0.02429735  -0.00926232 -0.01404788 183 ARG   A NH1  
1143 N  NH1  B ARG   A 71  ? 0.12447912 0.31063643 0.39780289 0.03360120  0.01307089  -0.00047904 183 ARG   A NH1  
1144 N  NH2  A ARG   A 71  ? 0.19691814 0.33084118 0.42932782 0.02832022  -0.00467215 -0.01475771 183 ARG   A NH2  
1145 N  NH2  B ARG   A 71  ? 0.13835233 0.29947940 0.40222445 0.03211327  0.01711754  -0.00176899 183 ARG   A NH2  
1146 H  H    . ARG   A 71  ? 0.11650442 0.27174217 0.37200972 0.01701392  -0.00033523 -0.00026923 183 ARG   A H    
1147 H  HA   A ARG   A 71  ? 0.12155055 0.28192973 0.37625787 0.01594340  0.00276087  -0.00296153 183 ARG   A HA   
1148 H  HA   B ARG   A 71  ? 0.12043173 0.28137884 0.37478468 0.01634563  0.00308793  -0.00142635 183 ARG   A HA   
1149 H  HB2  A ARG   A 71  ? 0.13463865 0.29577744 0.38793340 0.01550227  0.00299203  -0.00594824 183 ARG   A HB2  
1150 H  HB2  B ARG   A 71  ? 0.13232042 0.29361784 0.38335463 0.01703113  0.00468373  -0.00163562 183 ARG   A HB2  
1151 H  HB3  A ARG   A 71  ? 0.13462479 0.29509956 0.38835010 0.01567953  0.00285070  -0.00572292 183 ARG   A HB3  
1152 H  HB3  B ARG   A 71  ? 0.13210820 0.29417571 0.38312039 0.01686740  0.00449966  -0.00165680 183 ARG   A HB3  
1153 H  HG2  A ARG   A 71  ? 0.14505287 0.30602291 0.39676800 0.01762731  0.00248152  -0.00857707 183 ARG   A HG2  
1154 H  HG2  B ARG   A 71  ? 0.14097714 0.30244145 0.38921499 0.02038317  0.00647829  -0.00218369 183 ARG   A HG2  
1155 H  HG3  A ARG   A 71  ? 0.14503190 0.30577761 0.39671102 0.01769708  0.00248567  -0.00855794 183 ARG   A HG3  
1156 H  HG3  B ARG   A 71  ? 0.14092749 0.30311909 0.38910553 0.02043713  0.00639142  -0.00208886 183 ARG   A HG3  
1157 H  HD2  A ARG   A 71  ? 0.15712553 0.31464535 0.40492129 0.01940202  0.00215348  -0.01000739 183 ARG   A HD2  
1158 H  HD2  B ARG   A 71  ? 0.14508520 0.30708864 0.39556068 0.02641943  0.00846324  -0.00194490 183 ARG   A HD2  
1159 H  HD3  A ARG   A 71  ? 0.15709417 0.31459957 0.40472531 0.01944419  0.00223875  -0.01012674 183 ARG   A HD3  
1160 H  HD3  B ARG   A 71  ? 0.14509039 0.30683956 0.39561516 0.02640294  0.00844004  -0.00196644 183 ARG   A HD3  
1161 H  HE   A ARG   A 71  ? 0.17221104 0.32299238 0.41355315 0.02218353  -0.00197546 -0.01177298 183 ARG   A HE   
1162 H  HE   B ARG   A 71  ? 0.14560141 0.30775934 0.40051046 0.03181515  0.01109227  -0.00090985 183 ARG   A HE   
1163 H  HH11 A ARG   A 71  ? 0.18373145 0.33144537 0.43139482 0.02514437  -0.00850775 -0.01407767 183 ARG   A HH11 
1164 H  HH11 B ARG   A 71  ? 0.12953798 0.30955774 0.39839837 0.03318685  0.01367901  -0.00059984 183 ARG   A HH11 
1165 H  HH12 A ARG   A 71  ? 0.18341573 0.33163953 0.43163800 0.02539889  -0.00853914 -0.01373821 183 ARG   A HH12 
1166 H  HH12 B ARG   A 71  ? 0.12898152 0.30910912 0.39765885 0.03360268  0.01306342  -0.00022491 183 ARG   A HH12 
1167 H  HH21 A ARG   A 71  ? 0.19405197 0.33117256 0.42836389 0.02755482  -0.00502185 -0.01477125 183 ARG   A HH21 
1168 H  HH21 B ARG   A 71  ? 0.13919784 0.30042267 0.40167049 0.03257553  0.01672534  -0.00176693 183 ARG   A HH21 
1169 H  HH22 A ARG   A 71  ? 0.19409956 0.33060539 0.42911345 0.02818108  -0.00445298 -0.01459049 183 ARG   A HH22 
1170 H  HH22 B ARG   A 71  ? 0.13931391 0.30122396 0.40160927 0.03223459  0.01666860  -0.00173399 183 ARG   A HH22 
1171 N  N    . GLU   A 72  ? 0.10631542 0.27751413 0.36108890 0.02022181  0.01033161  -0.00299884 184 GLU   A N    
1172 C  CA   . GLU   A 72  ? 0.09739221 0.27046725 0.35720849 0.01946913  0.01145833  -0.00643458 184 GLU   A CA   
1173 C  C    . GLU   A 72  ? 0.08784699 0.28056797 0.35737166 0.01758001  0.01258903  -0.00683234 184 GLU   A C    
1174 O  O    . GLU   A 72  ? 0.08395916 0.29685262 0.35695863 0.00380825  0.01206235  -0.00846302 184 GLU   A O    
1175 C  CB   . GLU   A 72  ? 0.11213309 0.26552615 0.35898536 0.02513894  0.00538146  -0.00396660 184 GLU   A CB   
1176 C  CG   . GLU   A 72  ? 0.12869889 0.27032414 0.36277282 0.01843280  0.00557346  -0.00260737 184 GLU   A CG   
1177 C  CD   . GLU   A 72  ? 0.14731078 0.26989436 0.36777824 0.02170820  0.00580096  -0.00369874 184 GLU   A CD   
1178 O  OE1  . GLU   A 72  ? 0.17183021 0.28202683 0.37135419 0.01633808  0.01105140  -0.00787886 184 GLU   A OE1  
1179 O  OE2  . GLU   A 72  ? 0.16146538 0.26095581 0.36444122 0.01916577  0.01167935  -0.00288538 184 GLU   A OE2  
1180 H  H    . GLU   A 72  ? 0.10627682 0.27601692 0.36273846 0.01926368  0.00946886  -0.00369178 184 GLU   A H    
1181 H  HA   . GLU   A 72  ? 0.09830903 0.27210918 0.35821870 0.02084091  0.01072604  -0.00549917 184 GLU   A HA   
1182 H  HB2  . GLU   A 72  ? 0.11047871 0.26735169 0.35938096 0.02328058  0.00687609  -0.00428748 184 GLU   A HB2  
1183 H  HB3  . GLU   A 72  ? 0.11171430 0.26771840 0.35900316 0.02247135  0.00669179  -0.00431914 184 GLU   A HB3  
1184 H  HG2  . GLU   A 72  ? 0.13016905 0.26911187 0.36285934 0.02015100  0.00544506  -0.00318488 184 GLU   A HG2  
1185 H  HG3  . GLU   A 72  ? 0.12919380 0.26909229 0.36293364 0.02071447  0.00542693  -0.00307964 184 GLU   A HG3  
1186 N  N    . GLU   A 73  ? 0.07782096 0.28641248 0.35847008 0.02075108  0.01814998  -0.00615451 185 GLU   A N    
1187 C  CA   . GLU   A 73  ? 0.08087109 0.29418188 0.36084297 0.01621982  0.02042725  -0.00880678 185 GLU   A CA   
1188 C  C    . GLU   A 73  ? 0.07519945 0.29529849 0.36960727 0.01266943  0.02658890  -0.01115080 185 GLU   A C    
1189 O  O    . GLU   A 73  ? 0.07181161 0.30437875 0.38066354 0.02004169  0.02425569  -0.01254879 185 GLU   A O    
1190 C  CB   . GLU   A 73  ? 0.10151657 0.29316816 0.36364308 0.00622322  0.01901009  -0.00846914 185 GLU   A CB   
1191 C  CG   . GLU   A 73  ? 0.12618758 0.29557043 0.36716381 0.00253384  0.01366738  -0.00732925 185 GLU   A CG   
1192 C  CD   . GLU   A 73  ? 0.14045161 0.29711601 0.37101769 -0.00018652 0.01257403  -0.00766605 185 GLU   A CD   
1193 O  OE1  . GLU   A 73  ? 0.17210619 0.30541247 0.38182405 -0.00564692 -0.00140514 -0.00682051 185 GLU   A OE1  
1194 O  OE2  . GLU   A 73  ? 0.14126115 0.29974613 0.37452957 -0.00175295 0.01166784  -0.00942095 185 GLU   A OE2  
1195 H  H    . GLU   A 73  ? 0.07810774 0.28631142 0.35834682 0.01974079  0.01830305  -0.00715186 185 GLU   A H    
1196 H  HA   . GLU   A 73  ? 0.08090176 0.29257748 0.36249831 0.01501446  0.02111815  -0.00870744 185 GLU   A HA   
1197 H  HB2  . GLU   A 73  ? 0.10175269 0.29392579 0.36370423 0.00778592  0.01820596  -0.00829946 185 GLU   A HB2  
1198 H  HB3  . GLU   A 73  ? 0.10225149 0.29396459 0.36357966 0.00769242  0.01813526  -0.00825174 185 GLU   A HB3  
1199 H  HG2  . GLU   A 73  ? 0.12587945 0.29535460 0.36728594 0.00258704  0.01416200  -0.00762934 185 GLU   A HG2  
1200 H  HG3  . GLU   A 73  ? 0.12378378 0.29532024 0.36721668 0.00282535  0.01457688  -0.00767350 185 GLU   A HG3  
1201 N  N    . ARG   A 74  ? 0.08216015 0.29163909 0.37361801 0.01990433  0.02964885  -0.01033976 186 ARG   A N    
1202 C  CA   . ARG   A 74  ? 0.10139225 0.30426705 0.38117909 0.01961916  0.02614872  -0.01662686 186 ARG   A CA   
1203 C  C    . ARG   A 74  ? 0.14657055 0.32912672 0.39240909 0.01391626  0.02515101  -0.01381414 186 ARG   A C    
1204 O  O    . ARG   A 74  ? 0.15382282 0.35240132 0.38756451 0.00112042  0.01868573  -0.01062105 186 ARG   A O    
1205 C  CB   . ARG   A 74  ? 0.11280928 0.29884282 0.38575014 0.02146546  0.02589505  -0.02017465 186 ARG   A CB   
1206 C  CG   . ARG   A 74  ? 0.13046342 0.29843822 0.38755974 0.02919825  0.02361475  -0.02262242 186 ARG   A CG   
1207 C  CD   . ARG   A 74  ? 0.14578512 0.30522397 0.39470607 0.03699495  0.02124818  -0.02109247 186 ARG   A CD   
1208 N  NE   . ARG   A 74  ? 0.15652296 0.31125697 0.39428699 0.04606567  0.02178414  -0.02005220 186 ARG   A NE   
1209 C  CZ   . ARG   A 74  ? 0.16960499 0.30369148 0.39027306 0.04903737  0.01243404  -0.02246270 186 ARG   A CZ   
1210 N  NH1  . ARG   A 74  ? 0.18552838 0.30965656 0.39346614 0.05297510  0.00889187  -0.02145372 186 ARG   A NH1  
1211 N  NH2  . ARG   A 74  ? 0.17485352 0.30514923 0.38831237 0.04796787  0.00934049  -0.02156279 186 ARG   A NH2  
1212 H  H    . ARG   A 74  ? 0.08273107 0.29511583 0.37399802 0.01767920  0.02824627  -0.01179912 186 ARG   A H    
1213 H  HA   . ARG   A 74  ? 0.10294436 0.30424324 0.38195416 0.01850314  0.02750998  -0.01547933 186 ARG   A HA   
1214 H  HB2  . ARG   A 74  ? 0.11274319 0.30000553 0.38510159 0.02262575  0.02539917  -0.01994234 186 ARG   A HB2  
1215 H  HB3  . ARG   A 74  ? 0.11392897 0.29999435 0.38493904 0.02265054  0.02537784  -0.02005107 186 ARG   A HB3  
1216 H  HG2  . ARG   A 74  ? 0.12980761 0.29903963 0.38824335 0.02924388  0.02365031  -0.02171594 186 ARG   A HG2  
1217 H  HG3  . ARG   A 74  ? 0.12947667 0.29920128 0.38808647 0.02923848  0.02374557  -0.02221936 186 ARG   A HG3  
1218 H  HD2  . ARG   A 74  ? 0.14476939 0.30508250 0.39301988 0.03737330  0.02193162  -0.02107462 186 ARG   A HD2  
1219 H  HD3  . ARG   A 74  ? 0.14513613 0.30535421 0.39338505 0.03729691  0.02155904  -0.02079742 186 ARG   A HD3  
1220 H  HE   . ARG   A 74  ? 0.15732606 0.30809852 0.39442512 0.04475059  0.01950788  -0.02051701 186 ARG   A HE   
1221 H  HH11 . ARG   A 74  ? 0.18100378 0.30925721 0.39287418 0.05240877  0.00984472  -0.02212639 186 ARG   A HH11 
1222 H  HH12 . ARG   A 74  ? 0.17993087 0.30808735 0.39328489 0.05175963  0.00992344  -0.02227988 186 ARG   A HH12 
1223 H  HH21 . ARG   A 74  ? 0.17382294 0.30485979 0.38924074 0.04850907  0.01016159  -0.02214336 186 ARG   A HH21 
1224 H  HH22 . ARG   A 74  ? 0.17312014 0.30477098 0.38893330 0.04829730  0.01041562  -0.02196200 186 ARG   A HH22 
1225 N  N    . GLN   A 75  ? 0.18030645 0.33796635 0.40156391 0.00478331  0.01500431  -0.01848804 187 GLN   A N    
1226 C  CA   . GLN   A 75  ? 0.22599669 0.35731685 0.41693932 0.00897420  0.02024271  -0.01336820 187 GLN   A CA   
1227 C  C    . GLN   A 75  ? 0.22111899 0.35552067 0.41498026 0.00969449  0.01706829  -0.01774649 187 GLN   A C    
1228 O  O    . GLN   A 75  ? 0.23120268 0.35771075 0.41130760 0.00448415  0.02854681  -0.02137402 187 GLN   A O    
1229 C  CB   . GLN   A 75  ? 0.26372525 0.36846560 0.44595632 0.01748459  0.01901478  -0.00563213 187 GLN   A CB   
1230 C  CG   . GLN   A 75  ? 0.31010175 0.38730583 0.46380395 0.02367948  0.01749390  -0.00139073 187 GLN   A CG   
1231 C  CD   . GLN   A 75  ? 0.35006925 0.40641943 0.49297231 0.01965299  0.03104977  0.01102159  187 GLN   A CD   
1232 O  OE1  . GLN   A 75  ? 0.38003215 0.43041933 0.53537714 0.04351804  0.02927122  0.01609613  187 GLN   A OE1  
1233 N  NE2  . GLN   A 75  ? 0.38673005 0.41291052 0.51200283 0.02044871  0.03247420  0.01397850  187 GLN   A NE2  
1234 H  H    . GLN   A 75  ? 0.17972164 0.33910853 0.40206084 0.00847648  0.01854798  -0.01642458 187 GLN   A H    
1235 H  HA   . GLN   A 75  ? 0.22168083 0.35433120 0.41760957 0.01024691  0.01745749  -0.01413874 187 GLN   A HA   
1236 H  HB2  . GLN   A 75  ? 0.26307407 0.36943948 0.44185013 0.01707926  0.01888556  -0.00653117 187 GLN   A HB2  
1237 H  HB3  . GLN   A 75  ? 0.26240453 0.36729780 0.44132456 0.01716930  0.01789242  -0.00717577 187 GLN   A HB3  
1238 H  HG2  . GLN   A 75  ? 0.30667830 0.38648880 0.46533695 0.02136435  0.02089022  0.00039205  187 GLN   A HG2  
1239 H  HG3  . GLN   A 75  ? 0.30500957 0.38627455 0.46439794 0.02150448  0.02083576  0.00026413  187 GLN   A HG3  
1240 H  HE21 . GLN   A 75  ? 0.37721023 0.41250080 0.50607949 0.01802537  0.02988210  0.01369465  187 GLN   A HE21 
1241 H  HE22 . GLN   A 75  ? 0.37748197 0.41195834 0.50775504 0.02100892  0.02961507  0.01217990  187 GLN   A HE22 
1242 N  N    . SER   A 76  ? 0.21604565 0.35542658 0.41980442 0.02204917  0.00943539  -0.01580706 188 SER   A N    
1243 C  CA   . SER   A 76  ? 0.22456157 0.35083103 0.42389032 0.02991667  0.00532796  -0.01531131 188 SER   A CA   
1244 C  C    . SER   A 76  ? 0.20383964 0.33391482 0.42395669 0.02072638  0.00752514  -0.01587975 188 SER   A C    
1245 O  O    . SER   A 76  ? 0.19967830 0.33383912 0.43681008 0.02538939  -0.00413894 -0.01364744 188 SER   A O    
1246 C  CB   . SER   A 76  ? 0.23422711 0.36127937 0.43307868 0.03702071  0.00337618  -0.02000161 188 SER   A CB   
1247 O  OG   . SER   A 76  ? 0.28842705 0.39350599 0.44098091 0.03985135  -0.00832760 -0.01838641 188 SER   A OG   
1248 H  H    . SER   A 76  ? 0.21898700 0.35424483 0.41951752 0.02071881  0.01047641  -0.01614425 188 SER   A H    
1249 H  HA   . SER   A 76  ? 0.22072937 0.35059696 0.42490542 0.02786914  0.00618592  -0.01668089 188 SER   A HA   
1250 H  HB2  . SER   A 76  ? 0.24289568 0.36468801 0.43183088 0.03540026  0.00169273  -0.01806528 188 SER   A HB2  
1251 H  HB3  . SER   A 76  ? 0.24288894 0.36414722 0.43186733 0.03539584  0.00111968  -0.01912574 188 SER   A HB3  
1252 H  HG   . SER   A 76  ? 0.44257089 0.44257089 0.44257089 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1253 N  N    . VAL   A 77  ? 0.17936033 0.32480678 0.40975860 0.01835214  0.01431643  -0.01785655 189 VAL   A N    
1254 C  CA   . VAL   A 77  ? 0.18048236 0.31993863 0.40353739 0.01915056  0.01803184  -0.01896806 189 VAL   A CA   
1255 C  C    . VAL   A 77  ? 0.17035055 0.29617336 0.38889858 0.02355427  0.01397239  -0.02510519 189 VAL   A C    
1256 O  O    . VAL   A 77  ? 0.16373144 0.30153340 0.38521796 0.02149190  0.01589859  -0.02339611 189 VAL   A O    
1257 C  CB   . VAL   A 77  ? 0.20503022 0.32954642 0.41603699 0.02356309  0.01621370  -0.01259118 189 VAL   A CB   
1258 C  CG1  . VAL   A 77  ? 0.21702003 0.34015813 0.41956553 0.02411720  0.01438883  -0.00954949 189 VAL   A CG1  
1259 C  CG2  . VAL   A 77  ? 0.21596400 0.34028009 0.41941929 0.01847451  0.02019764  -0.00943043 189 VAL   A CG2  
1260 H  H    . VAL   A 77  ? 0.18482158 0.32501256 0.41154870 0.01780557  0.01304117  -0.01807098 189 VAL   A H    
1261 H  HA   . VAL   A 77  ? 0.18205136 0.31733799 0.40393308 0.02083136  0.01604302  -0.01872388 189 VAL   A HA   
1262 H  HB   . VAL   A 77  ? 0.20449793 0.33158195 0.41493094 0.02187432  0.01701064  -0.01261728 189 VAL   A HB   
1263 H  HG11 . VAL   A 77  ? 0.21376567 0.33769014 0.41948366 0.02406352  0.01472778  -0.00990282 189 VAL   A HG11 
1264 H  HG12 . VAL   A 77  ? 0.21496542 0.33706379 0.41917431 0.02403894  0.01383264  -0.01050154 189 VAL   A HG12 
1265 H  HG13 . VAL   A 77  ? 0.21379264 0.33816788 0.41894946 0.02418067  0.01462477  -0.01074149 189 VAL   A HG13 
1266 H  HG21 . VAL   A 77  ? 0.21294224 0.33818910 0.41896173 0.02002414  0.01918303  -0.01061995 189 VAL   A HG21 
1267 H  HG22 . VAL   A 77  ? 0.21386109 0.33753738 0.41968581 0.01976189  0.01996339  -0.01056506 189 VAL   A HG22 
1268 H  HG23 . VAL   A 77  ? 0.21294068 0.33782843 0.41952655 0.01991279  0.01916386  -0.00984311 189 VAL   A HG23 
1269 N  N    . PHE   A 78  ? 0.16273770 0.28229100 0.38301796 0.03400824  0.01322904  -0.02677727 190 PHE   A N    
1270 C  CA   . PHE   A 78  ? 0.14100188 0.25770196 0.37894046 0.04476833  0.00182405  -0.02678464 190 PHE   A CA   
1271 C  C    . PHE   A 78  ? 0.15412743 0.26589841 0.38185132 0.05049197  -0.00826952 -0.02764027 190 PHE   A C    
1272 O  O    . PHE   A 78  ? 0.18665005 0.26866010 0.39170539 0.06090084  -0.01882388 -0.03294316 190 PHE   A O    
1273 C  CB   . PHE   A 78  ? 0.12564875 0.24758363 0.37687746 0.04349243  0.00318938  -0.02891234 190 PHE   A CB   
1274 C  CG   . PHE   A 78  ? 0.10583273 0.22694798 0.37552217 0.04586728  -0.00068763 -0.03150521 190 PHE   A CG   
1275 C  CD1  . PHE   A 78  ? 0.10929647 0.22046821 0.37261268 0.04279250  0.00148076  -0.03533752 190 PHE   A CD1  
1276 C  CD2  . PHE   A 78  ? 0.10282242 0.21495298 0.37408137 0.04470009  0.00409972  -0.03768659 190 PHE   A CD2  
1277 C  CE1  . PHE   A 78  ? 0.09960057 0.21684948 0.37405142 0.04353119  0.00112931  -0.03666280 190 PHE   A CE1  
1278 C  CE2  . PHE   A 78  ? 0.09032877 0.21164265 0.37394512 0.04485294  0.00081060  -0.03814709 190 PHE   A CE2  
1279 C  CZ   . PHE   A 78  ? 0.08717040 0.21236205 0.37038398 0.04464079  -0.00180327 -0.03632015 190 PHE   A CZ   
1280 H  H    . PHE   A 78  ? 0.15932457 0.27970099 0.38299757 0.03413216  0.01077549  -0.02650569 190 PHE   A H    
1281 H  HA   . PHE   A 78  ? 0.14426827 0.26177824 0.37919027 0.04351260  0.00248474  -0.02764741 190 PHE   A HA   
1282 H  HB2  . PHE   A 78  ? 0.12539493 0.24465188 0.37737799 0.04428949  0.00259737  -0.02906046 190 PHE   A HB2  
1283 H  HB3  . PHE   A 78  ? 0.12463669 0.24498147 0.37745011 0.04442948  0.00192606  -0.02883680 190 PHE   A HB3  
1284 H  HD1  . PHE   A 78  ? 0.10611070 0.22109389 0.37328056 0.04369439  0.00084419  -0.03484035 190 PHE   A HD1  
1285 H  HD2  . PHE   A 78  ? 0.10134879 0.21716371 0.37447140 0.04541225  0.00253721  -0.03617901 190 PHE   A HD2  
1286 H  HE1  . PHE   A 78  ? 0.09942017 0.21686053 0.37303758 0.04378191  0.00050767  -0.03610218 190 PHE   A HE1  
1287 H  HE2  . PHE   A 78  ? 0.09264541 0.21277505 0.37333944 0.04475892  0.00097374  -0.03750966 190 PHE   A HE2  
1288 H  HZ   . PHE   A 78  ? 0.09064048 0.21328348 0.37172848 0.04424842  -0.00008544 -0.03660787 190 PHE   A HZ   
1289 N  N    . PRO   A 79  ? 0.14609107 0.26749495 0.37857157 0.04857812  -0.00499103 -0.01995537 191 PRO   A N    
1290 C  CA   . PRO   A 79  ? 0.14382365 0.27165973 0.37880594 0.03819736  -0.00799392 -0.01840981 191 PRO   A CA   
1291 C  C    . PRO   A 79  ? 0.14762580 0.26924974 0.38250536 0.03609422  -0.00688291 -0.01238839 191 PRO   A C    
1292 O  O    . PRO   A 79  ? 0.16205239 0.30690297 0.39063194 0.02398476  -0.01234231 0.00162311  191 PRO   A O    
1293 C  CB   . PRO   A 79  ? 0.14935932 0.27205142 0.37800214 0.04222662  -0.00765401 -0.01859739 191 PRO   A CB   
1294 C  CG   . PRO   A 79  ? 0.14788118 0.26901105 0.38025516 0.04722618  -0.00724835 -0.02117668 191 PRO   A CG   
1295 C  CD   . PRO   A 79  ? 0.13666703 0.27324924 0.37817657 0.04549473  -0.00656459 -0.02337486 191 PRO   A CD   
1296 H  HA   . PRO   A 79  ? 0.14618804 0.27045658 0.37935311 0.04073040  -0.00720519 -0.01778478 191 PRO   A HA   
1297 H  HB2  . PRO   A 79  ? 0.14869522 0.27151623 0.37885472 0.04208763  -0.00740737 -0.01908883 191 PRO   A HB2  
1298 H  HB3  . PRO   A 79  ? 0.14800975 0.27134651 0.37876195 0.04242715  -0.00763253 -0.01915869 191 PRO   A HB3  
1299 H  HG2  . PRO   A 79  ? 0.14657630 0.27003172 0.37937084 0.04535291  -0.00781403 -0.02112911 191 PRO   A HG2  
1300 H  HG3  . PRO   A 79  ? 0.14580891 0.27043176 0.37928957 0.04559813  -0.00730893 -0.02111340 191 PRO   A HG3  
1301 H  HD2  . PRO   A 79  ? 0.14088438 0.27082607 0.37888837 0.04636656  -0.00627219 -0.02218682 191 PRO   A HD2  
1302 H  HD3  . PRO   A 79  ? 0.13899623 0.27034402 0.37876058 0.04546462  -0.00614100 -0.02211789 191 PRO   A HD3  
1303 N  N    . PHE   A 80  ? 0.12888904 0.24461025 0.37703472 0.03526065  -0.00729505 -0.01589895 192 PHE   A N    
1304 C  CA   . PHE   A 80  ? 0.13704227 0.22534898 0.37548417 0.02807469  -0.01047870 -0.02162418 192 PHE   A CA   
1305 C  C    . PHE   A 80  ? 0.16076569 0.22795109 0.38353592 0.03952105  -0.01433206 -0.02381912 192 PHE   A C    
1306 O  O    . PHE   A 80  ? 0.16356131 0.23742808 0.38763812 0.04668441  -0.02044714 -0.02565073 192 PHE   A O    
1307 C  CB   . PHE   A 80  ? 0.11967403 0.21260740 0.37193760 0.02153025  -0.01002836 -0.02235534 192 PHE   A CB   
1308 C  CG   . PHE   A 80  ? 0.10751085 0.20834574 0.36250252 0.02346506  -0.00472011 -0.02174479 192 PHE   A CG   
1309 C  CD1  . PHE   A 80  ? 0.09824461 0.20259845 0.35719216 0.01652551  -0.00318825 -0.01987879 192 PHE   A CD1  
1310 C  CD2  . PHE   A 80  ? 0.11464795 0.20923109 0.36098248 0.01960980  -0.00852351 -0.01933548 192 PHE   A CD2  
1311 C  CE1  . PHE   A 80  ? 0.10218195 0.20596167 0.35615823 0.01234717  -0.00166272 -0.02043770 192 PHE   A CE1  
1312 C  CE2  . PHE   A 80  ? 0.11410537 0.21155968 0.35462219 0.01337954  -0.00694373 -0.02169132 192 PHE   A CE2  
1313 C  CZ   . PHE   A 80  ? 0.11006018 0.20781216 0.35198417 0.01243060  -0.00856723 -0.01894586 192 PHE   A CZ   
1314 H  H    . PHE   A 80  ? 0.13342080 0.24537127 0.37685987 0.03412862  -0.00916280 -0.01639905 192 PHE   A H    
1315 H  HA   . PHE   A 80  ? 0.13725144 0.22774953 0.37685901 0.02987464  -0.01020835 -0.02116508 192 PHE   A HA   
1316 H  HB2  . PHE   A 80  ? 0.12027210 0.21430755 0.37045223 0.02327428  -0.00868491 -0.02216909 192 PHE   A HB2  
1317 H  HB3  . PHE   A 80  ? 0.11944619 0.21401450 0.37035912 0.02291680  -0.00861423 -0.02196384 192 PHE   A HB3  
1318 H  HD1  . PHE   A 80  ? 0.09984137 0.20452818 0.35782814 0.01643354  -0.00402860 -0.02071127 192 PHE   A HD1  
1319 H  HD2  . PHE   A 80  ? 0.11323062 0.20973757 0.35978287 0.01862072  -0.00727693 -0.02042040 192 PHE   A HD2  
1320 H  HE1  . PHE   A 80  ? 0.10332365 0.20571475 0.35551855 0.01342429  -0.00370204 -0.01998231 192 PHE   A HE1  
1321 H  HE2  . PHE   A 80  ? 0.11318085 0.21006919 0.35553822 0.01469253  -0.00756408 -0.02047923 192 PHE   A HE2  
1322 H  HZ   . PHE   A 80  ? 0.10910130 0.20823789 0.35372368 0.01276836  -0.00654644 -0.01992613 192 PHE   A HZ   
1323 N  N    . GLU   A 81  ? 0.16106209 0.23479939 0.39038500 0.04451033  -0.02062839 -0.02237091 193 GLU   A N    
1324 C  CA   . GLU   A 81  ? 0.18134616 0.24172270 0.40093231 0.04095040  -0.02179068 -0.02560572 193 GLU   A CA   
1325 C  C    . GLU   A 81  ? 0.18800892 0.23927231 0.39310914 0.04445534  -0.02130127 -0.02726278 193 GLU   A C    
1326 O  O    . GLU   A 81  ? 0.17458054 0.23399019 0.38974416 0.04221517  -0.02981984 -0.03103975 193 GLU   A O    
1327 C  CB   . GLU   A 81  ? 0.19254512 0.26145780 0.40908179 0.03530017  -0.01866808 -0.02475725 193 GLU   A CB   
1328 C  CG   . GLU   A 81  ? 0.20419544 0.27882484 0.42471266 0.02995287  -0.01359805 -0.02040170 193 GLU   A CG   
1329 C  CD   . GLU   A 81  ? 0.21559431 0.29349980 0.44170409 0.03694261  -0.01349647 -0.01563581 193 GLU   A CD   
1330 O  OE1  . GLU   A 81  ? 0.22360460 0.29576162 0.45683461 0.04006419  -0.01002463 -0.01542007 193 GLU   A OE1  
1331 O  OE2  . GLU   A 81  ? 0.22764143 0.32541969 0.46520704 0.03641430  -0.00074711 -0.00386551 193 GLU   A OE2  
1332 H  H    . GLU   A 81  ? 0.16290015 0.23314144 0.39068481 0.04397454  -0.01902653 -0.02355727 193 GLU   A H    
1333 H  HA   . GLU   A 81  ? 0.18060030 0.24321142 0.39862821 0.04119964  -0.02082993 -0.02510645 193 GLU   A HA   
1334 H  HB2  . GLU   A 81  ? 0.19260819 0.26048613 0.41038698 0.03525504  -0.01819386 -0.02407331 193 GLU   A HB2  
1335 H  HB3  . GLU   A 81  ? 0.19242372 0.26053178 0.41044930 0.03557899  -0.01824846 -0.02393972 193 GLU   A HB3  
1336 H  HG2  . GLU   A 81  ? 0.20320338 0.27715188 0.42401600 0.03291959  -0.01476107 -0.02037634 193 GLU   A HG2  
1337 H  HG3  . GLU   A 81  ? 0.20364787 0.27749434 0.42478019 0.03278334  -0.01462989 -0.02043799 193 GLU   A HG3  
1338 N  N    . SER   A 82  ? 0.20145096 0.23520790 0.39549661 0.04174614  -0.02511068 -0.02497372 194 SER   A N    
1339 C  CA   . SER   A 82  ? 0.21719125 0.24642462 0.39530092 0.02932856  -0.02294596 -0.02276925 194 SER   A CA   
1340 C  C    . SER   A 82  ? 0.20882693 0.23236899 0.38324577 0.01548329  -0.01693248 -0.02474705 194 SER   A C    
1341 O  O    . SER   A 82  ? 0.22623855 0.24038403 0.38749370 0.00416295  -0.02002459 -0.03243265 194 SER   A O    
1342 C  CB   . SER   A 82  ? 0.23968033 0.25864941 0.41396520 0.03234406  -0.02838613 -0.01404959 194 SER   A CB   
1343 O  OG   . SER   A 82  ? 0.28311583 0.29869816 0.42648488 0.03279682  -0.03677230 -0.01088794 194 SER   A OG   
1344 H  H    . SER   A 82  ? 0.20007151 0.23842710 0.39517042 0.04060443  -0.02362555 -0.02497387 194 SER   A H    
1345 H  HA   . SER   A 82  ? 0.21515314 0.24282876 0.39575759 0.02885369  -0.02279240 -0.02234731 194 SER   A HA   
1346 H  HB2  . SER   A 82  ? 0.24222650 0.26340610 0.41159239 0.03161620  -0.02878481 -0.01549827 194 SER   A HB2  
1347 H  HB3  . SER   A 82  ? 0.24126375 0.26302418 0.41147971 0.03088398  -0.02854208 -0.01538477 194 SER   A HB3  
1348 H  HG   . SER   A 82  ? 0.41926703 0.41926703 0.41926703 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1349 N  N    . GLY   A 83  ? 0.19170868 0.20796746 0.36539412 0.00926699  -0.02231422 -0.01978265 195 GLY   A N    
1350 C  CA   . GLY   A 83  ? 0.18087624 0.20222129 0.35884094 -0.00262146 -0.01805554 -0.01744140 195 GLY   A CA   
1351 C  C    . GLY   A 83  ? 0.17198229 0.20330718 0.35256687 -0.00776499 -0.01413259 -0.01661902 195 GLY   A C    
1352 O  O    . GLY   A 83  ? 0.19015291 0.22056650 0.35595056 -0.01821366 -0.03078747 -0.00531664 195 GLY   A O    
1353 H  H    . GLY   A 83  ? 0.19291291 0.21199177 0.36709940 0.00801184  -0.01999491 -0.02094089 195 GLY   A H    
1354 H  HA2  . GLY   A 83  ? 0.18109797 0.20389575 0.35890660 -0.00119517 -0.01783708 -0.01797896 195 GLY   A HA2  
1355 H  HA3  . GLY   A 83  ? 0.18154882 0.20384654 0.35894686 -0.00095599 -0.01808790 -0.01812538 195 GLY   A HA3  
1356 N  N    . LYS   A 84  ? 0.15419707 0.20233659 0.33899364 -0.00288868 -0.01014933 -0.02024175 196 LYS   A N    
1357 C  CA   . LYS   A 84  ? 0.14350213 0.20493683 0.33196372 -0.00367021 -0.00340874 -0.02199924 196 LYS   A CA   
1358 C  C    . LYS   A 84  ? 0.14600110 0.20016009 0.32959786 -0.00680830 0.00112802  -0.01947867 196 LYS   A C    
1359 O  O    . LYS   A 84  ? 0.13625500 0.20159873 0.32805651 0.00378716  0.00469084  -0.02253528 196 LYS   A O    
1360 C  CB   . LYS   A 84  ? 0.14306203 0.20915940 0.32967770 -0.00633013 -0.00414139 -0.02132708 196 LYS   A CB   
1361 C  CG   . LYS   A 84  ? 0.14222507 0.20610321 0.33211675 -0.00410586 -0.00588097 -0.02446058 196 LYS   A CG   
1362 C  CD   . LYS   A 84  ? 0.14900623 0.21379186 0.33006516 -0.00275293 -0.00412525 -0.02639680 196 LYS   A CD   
1363 C  CE   . LYS   A 84  ? 0.14970316 0.21716838 0.33164990 0.00278403  -0.00556627 -0.02751006 196 LYS   A CE   
1364 N  NZ   . LYS   A 84  ? 0.14660396 0.21699281 0.32880950 0.00546285  -0.00401577 -0.02899290 196 LYS   A NZ   
1365 H  H    . LYS   A 84  ? 0.15514314 0.20330456 0.34032488 -0.00385849 -0.01046557 -0.01973874 196 LYS   A H    
1366 H  HA   . LYS   A 84  ? 0.14586148 0.20414062 0.33253577 -0.00491136 -0.00436097 -0.02100853 196 LYS   A HA   
1367 H  HB2  . LYS   A 84  ? 0.14290635 0.20755088 0.33071992 -0.00522445 -0.00442507 -0.02222932 196 LYS   A HB2  
1368 H  HB3  . LYS   A 84  ? 0.14300750 0.20775419 0.33080417 -0.00523930 -0.00433868 -0.02233573 196 LYS   A HB3  
1369 H  HG2  . LYS   A 84  ? 0.14300254 0.20825845 0.33083311 -0.00455959 -0.00558584 -0.02424615 196 LYS   A HG2  
1370 H  HG3  . LYS   A 84  ? 0.14361630 0.20789148 0.33086145 -0.00401185 -0.00536045 -0.02385927 196 LYS   A HG3  
1371 H  HD2  . LYS   A 84  ? 0.14775656 0.21290617 0.33101571 -0.00171955 -0.00472309 -0.02618637 196 LYS   A HD2  
1372 H  HD3  . LYS   A 84  ? 0.14781162 0.21304628 0.33123264 -0.00194535 -0.00458400 -0.02648514 196 LYS   A HD3  
1373 H  HE2  . LYS   A 84  ? 0.14919008 0.21674694 0.33071527 0.00254547  -0.00473114 -0.02744609 196 LYS   A HE2  
1374 H  HE3  . LYS   A 84  ? 0.14897607 0.21653512 0.33082676 0.00235486  -0.00491208 -0.02754838 196 LYS   A HE3  
1375 H  HZ1  . LYS   A 84  ? 0.14739574 0.21683811 0.32951739 0.00478686  -0.00456782 -0.02850515 196 LYS   A HZ1  
1376 H  HZ2  . LYS   A 84  ? 0.14756849 0.21697168 0.32961479 0.00481154  -0.00444028 -0.02856257 196 LYS   A HZ2  
1377 H  HZ3  . LYS   A 84  ? 0.14736634 0.21648842 0.32943770 0.00498510  -0.00431614 -0.02885290 196 LYS   A HZ3  
1378 N  N    . PRO   A 85  ? 0.13738634 0.19058043 0.33528626 -0.01061700 0.00413687  -0.01961556 197 PRO   A N    
1379 C  CA   . PRO   A 85  ? 0.13802464 0.18925531 0.33421800 -0.01322905 0.00173978  -0.02166693 197 PRO   A CA   
1380 C  C    . PRO   A 85  ? 0.13486072 0.19051278 0.32293606 -0.01327049 0.00704648  -0.02474574 197 PRO   A C    
1381 O  O    . PRO   A 85  ? 0.14057569 0.18947789 0.32156879 -0.01715200 0.00932277  -0.03050857 197 PRO   A O    
1382 C  CB   . PRO   A 85  ? 0.13643405 0.19102018 0.34180206 -0.01288510 -0.00084850 -0.01737517 197 PRO   A CB   
1383 C  CG   . PRO   A 85  ? 0.14563280 0.19860014 0.34312207 -0.00946701 -0.00244024 -0.01485099 197 PRO   A CG   
1384 C  CD   . PRO   A 85  ? 0.14578672 0.19257273 0.33956876 -0.01090694 0.00132268  -0.01896560 197 PRO   A CD   
1385 H  HA   . PRO   A 85  ? 0.13747539 0.19028825 0.33429870 -0.01266399 0.00298989  -0.02147148 197 PRO   A HA   
1386 H  HB2  . PRO   A 85  ? 0.13856398 0.19137080 0.34020099 -0.01231723 -0.00047379 -0.01770384 197 PRO   A HB2  
1387 H  HB3  . PRO   A 85  ? 0.13776018 0.19202529 0.34013098 -0.01246518 -0.00015024 -0.01765755 197 PRO   A HB3  
1388 H  HG2  . PRO   A 85  ? 0.14414780 0.19587636 0.34257224 -0.01009660 -0.00165561 -0.01683193 197 PRO   A HG2  
1389 H  HG3  . PRO   A 85  ? 0.14433989 0.19554515 0.34229794 -0.01037716 -0.00093826 -0.01640153 197 PRO   A HG3  
1390 H  HD2  . PRO   A 85  ? 0.14397876 0.19357109 0.33943653 -0.01051026 0.00088368  -0.01818451 197 PRO   A HD2  
1391 H  HD3  . PRO   A 85  ? 0.14380698 0.19351390 0.33929470 -0.01047725 0.00107216  -0.01822553 197 PRO   A HD3  
1392 N  N    . PHE   A 86  ? 0.13261673 0.18980424 0.32362303 -0.01241686 0.00700098  -0.02740388 198 PHE   A N    
1393 C  CA   . PHE   A 86  ? 0.12997726 0.18445066 0.31496605 -0.01184588 -0.00097771 -0.03216117 198 PHE   A CA   
1394 C  C    . PHE   A 86  ? 0.11189427 0.18380320 0.31810826 -0.01255740 0.00301195  -0.02870930 198 PHE   A C    
1395 O  O    . PHE   A 86  ? 0.10325779 0.16719075 0.32355890 -0.00685122 -0.00099927 -0.02994354 198 PHE   A O    
1396 C  CB   . PHE   A 86  ? 0.14859867 0.18633612 0.31940526 -0.01019178 -0.00701077 -0.03391610 198 PHE   A CB   
1397 C  CG   . PHE   A 86  ? 0.16091938 0.19454128 0.32203609 -0.01967790 -0.00753866 -0.03373600 198 PHE   A CG   
1398 C  CD1  . PHE   A 86  ? 0.16121300 0.19769612 0.32293811 -0.01675781 -0.00947409 -0.03632376 198 PHE   A CD1  
1399 C  CD2  . PHE   A 86  ? 0.19171287 0.19915079 0.32889074 -0.02728259 -0.00489675 -0.03591729 198 PHE   A CD2  
1400 C  CE1  . PHE   A 86  ? 0.17564680 0.20352703 0.32462829 -0.01723730 -0.00647996 -0.03510933 198 PHE   A CE1  
1401 C  CE2  . PHE   A 86  ? 0.19179314 0.20581448 0.33145192 -0.03243978 -0.00121470 -0.03339339 198 PHE   A CE2  
1402 C  CZ   . PHE   A 86  ? 0.18490261 0.20967484 0.32926413 -0.02350133 -0.00189744 -0.03555506 198 PHE   A CZ   
1403 H  H    . PHE   A 86  ? 0.13238727 0.18871120 0.32134217 -0.01250493 0.00535397  -0.02775766 198 PHE   A H    
1404 H  HA   . PHE   A 86  ? 0.12999213 0.18569599 0.31759444 -0.01187294 0.00054202  -0.03083793 198 PHE   A HA   
1405 H  HB2  . PHE   A 86  ? 0.14835118 0.18817438 0.31889856 -0.01153310 -0.00568250 -0.03354041 198 PHE   A HB2  
1406 H  HB3  . PHE   A 86  ? 0.14705086 0.18656619 0.31879589 -0.01209256 -0.00558641 -0.03386245 198 PHE   A HB3  
1407 H  HD1  . PHE   A 86  ? 0.16365674 0.19850829 0.32344913 -0.01735049 -0.00811346 -0.03539807 198 PHE   A HD1  
1408 H  HD2  . PHE   A 86  ? 0.18357158 0.19922565 0.32790047 -0.02634124 -0.00459821 -0.03532820 198 PHE   A HD2  
1409 H  HE1  . PHE   A 86  ? 0.17422831 0.20349430 0.32534662 -0.01867374 -0.00611428 -0.03537763 198 PHE   A HE1  
1410 H  HE2  . PHE   A 86  ? 0.18935636 0.20388040 0.32999510 -0.02936439 -0.00215020 -0.03406867 198 PHE   A HE2  
1411 H  HZ   . PHE   A 86  ? 0.18395673 0.20705186 0.32860425 -0.02398547 -0.00294751 -0.03495482 198 PHE   A HZ   
1412 N  N    . LYS   A 87  ? 0.09616225 0.18843186 0.32377243 -0.01319591 0.00168264  -0.03146875 199 LYS   A N    
1413 C  CA   . LYS   A 87  ? 0.09283569 0.18824777 0.33178368 -0.02111272 -0.00044794 -0.02989708 199 LYS   A CA   
1414 C  C    . LYS   A 87  ? 0.08295318 0.18786135 0.33374420 -0.01448136 0.00383368  -0.02660424 199 LYS   A C    
1415 O  O    . LYS   A 87  ? 0.12110822 0.20721497 0.32764730 -0.01684919 0.02448570  -0.02525076 199 LYS   A O    
1416 C  CB   . LYS   A 87  ? 0.10949939 0.19840130 0.34340784 -0.02426296 -0.00199915 -0.02618663 199 LYS   A CB   
1417 C  CG   . LYS   A 87  ? 0.13249847 0.20432188 0.35108128 -0.02191069 -0.00321923 -0.02680199 199 LYS   A CG   
1418 C  CD   . LYS   A 87  ? 0.15284467 0.21352953 0.36470222 -0.01521572 -0.00529407 -0.02061991 199 LYS   A CD   
1419 C  CE   . LYS   A 87  ? 0.17072898 0.22723991 0.37203792 -0.00887096 -0.00435393 -0.01320630 199 LYS   A CE   
1420 N  NZ   . LYS   A 87  ? 0.19422022 0.24642685 0.38084200 -0.00646840 -0.00770400 -0.00525726 199 LYS   A NZ   
1421 H  H    . LYS   A 87  ? 0.09817393 0.18721408 0.32353291 -0.01448600 0.00243970  -0.03067505 199 LYS   A H    
1422 H  HA   . LYS   A 87  ? 0.09433865 0.18968153 0.33247417 -0.01861184 0.00068002  -0.02892681 199 LYS   A HA   
1423 H  HB2  . LYS   A 87  ? 0.10973103 0.19728374 0.34211630 -0.02289543 -0.00211123 -0.02713703 199 LYS   A HB2  
1424 H  HB3  . LYS   A 87  ? 0.11075126 0.19746357 0.34240472 -0.02282240 -0.00191989 -0.02705187 199 LYS   A HB3  
1425 H  HG2  . LYS   A 87  ? 0.13098274 0.20469859 0.35195172 -0.02068799 -0.00318522 -0.02526509 199 LYS   A HG2  
1426 H  HG3  . LYS   A 87  ? 0.13087110 0.20469420 0.35189840 -0.02097418 -0.00333341 -0.02531685 199 LYS   A HG3  
1427 H  HD2  . LYS   A 87  ? 0.15148003 0.21398680 0.36272901 -0.01538532 -0.00454135 -0.02047681 199 LYS   A HD2  
1428 H  HD3  . LYS   A 87  ? 0.15192278 0.21407273 0.36280963 -0.01522916 -0.00436225 -0.02039757 199 LYS   A HD3  
1429 H  HE2  . LYS   A 87  ? 0.17026828 0.22715582 0.37151423 -0.00995766 -0.00521862 -0.01347122 199 LYS   A HE2  
1430 H  HE3  . LYS   A 87  ? 0.17148988 0.22781773 0.37202430 -0.00962191 -0.00509279 -0.01321108 199 LYS   A HE3  
1431 H  HZ1  . LYS   A 87  ? 0.19044489 0.24160938 0.37905747 -0.00573589 -0.00549940 -0.00680667 199 LYS   A HZ1  
1432 H  HZ2  . LYS   A 87  ? 0.18770157 0.24380463 0.37913939 -0.00750482 -0.00689970 -0.00608298 199 LYS   A HZ2  
1433 H  HZ3  . LYS   A 87  ? 0.18863848 0.24128085 0.37983379 -0.00684820 -0.00772936 -0.00742000 199 LYS   A HZ3  
1434 N  N    . ILE   A 88  ? 0.07216232 0.18463212 0.33209810 -0.01328191 0.00435135  -0.02552405 200 ILE   A N    
1435 C  CA   . ILE   A 88  ? 0.06906487 0.17992641 0.33865449 -0.00722630 0.00263667  -0.02772024 200 ILE   A CA   
1436 C  C    . ILE   A 88  ? 0.07602232 0.17784339 0.34109429 0.00038198  0.00383234  -0.02862407 200 ILE   A C    
1437 O  O    . ILE   A 88  ? 0.08030885 0.17263436 0.35102773 0.00447283  0.00728209  -0.03266224 200 ILE   A O    
1438 C  CB   . ILE   A 88  ? 0.06594286 0.19044369 0.34284338 -0.00722440 -0.00127924 -0.02629141 200 ILE   A CB   
1439 C  CG1  . ILE   A 88  ? 0.07399596 0.19328538 0.34870443 -0.00044560 0.00356594  -0.02316668 200 ILE   A CG1  
1440 C  CG2  . ILE   A 88  ? 0.06941716 0.19175388 0.34533414 -0.00878772 -0.00486860 -0.02733265 200 ILE   A CG2  
1441 C  CD1  . ILE   A 88  ? 0.08708429 0.20087539 0.35321209 0.00127838  0.00370596  -0.02080205 200 ILE   A CD1  
1442 H  H    . ILE   A 88  ? 0.07285318 0.18426923 0.33333072 -0.01269959 0.00471937  -0.02604880 200 ILE   A H    
1443 H  HA   . ILE   A 88  ? 0.07029589 0.18242468 0.33827069 -0.00693146 0.00296392  -0.02724823 200 ILE   A HA   
1444 H  HB   . ILE   A 88  ? 0.06848815 0.18919259 0.34337530 -0.00621870 0.00015043  -0.02618119 200 ILE   A HB   
1445 H  HG12 . ILE   A 88  ? 0.07389722 0.19417764 0.34792927 -0.00147153 0.00307300  -0.02346164 200 ILE   A HG12 
1446 H  HG13 . ILE   A 88  ? 0.07590594 0.19426297 0.34810844 -0.00165866 0.00281864  -0.02336627 200 ILE   A HG13 
1447 H  HG21 . ILE   A 88  ? 0.06914438 0.19170687 0.34511006 -0.00820130 -0.00376317 -0.02695265 200 ILE   A HG21 
1448 H  HG22 . ILE   A 88  ? 0.06935371 0.19149737 0.34512666 -0.00833237 -0.00434895 -0.02697008 200 ILE   A HG22 
1449 H  HG23 . ILE   A 88  ? 0.06877658 0.19169065 0.34479901 -0.00832176 -0.00387795 -0.02693755 200 ILE   A HG23 
1450 H  HD11 . ILE   A 88  ? 0.08528959 0.19892238 0.35251626 0.00048246  0.00286115  -0.02120598 200 ILE   A HD11 
1451 H  HD12 . ILE   A 88  ? 0.08375765 0.19996831 0.35218653 0.00059828  0.00360548  -0.02107859 200 ILE   A HD12 
1452 H  HD13 . ILE   A 88  ? 0.08451071 0.19895014 0.35272476 0.00099002  0.00433943  -0.02107853 200 ILE   A HD13 
1453 N  N    . GLN   A 89  ? 0.07533455 0.17493813 0.34285533 0.00219915  0.00143945  -0.02879492 201 GLN   A N    
1454 C  CA   . GLN   A 89  ? 0.09537291 0.17979114 0.34662443 0.00373337  0.00352503  -0.03131532 201 GLN   A CA   
1455 C  C    . GLN   A 89  ? 0.09228405 0.17747211 0.34507897 0.00119535  0.00740162  -0.03052961 201 GLN   A C    
1456 O  O    . GLN   A 89  ? 0.09553654 0.18521275 0.34133598 0.00451016  0.00939722  -0.03691958 201 GLN   A O    
1457 C  CB   . GLN   A 89  ? 0.11956646 0.19794582 0.35939774 0.00897749  0.00104890  -0.02488872 201 GLN   A CB   
1458 C  CG   . GLN   A 89  ? 0.12826434 0.21286111 0.36833799 0.00537940  -0.00467474 -0.02231791 201 GLN   A CG   
1459 C  CD   . GLN   A 89  ? 0.16498421 0.23840652 0.37945062 0.00692189  -0.00734921 -0.01714151 201 GLN   A CD   
1460 O  OE1  . GLN   A 89  ? 0.19133587 0.25316766 0.38724875 0.00602868  0.00120539  -0.01778312 201 GLN   A OE1  
1461 N  NE2  . GLN   A 89  ? 0.17663261 0.25121754 0.39342418 0.01279948  -0.01091767 -0.00905248 201 GLN   A NE2  
1462 H  H    . GLN   A 89  ? 0.07881599 0.17657784 0.34275207 0.00231251  0.00303155  -0.02953510 201 GLN   A H    
1463 H  HA   . GLN   A 89  ? 0.09435097 0.18107647 0.34777084 0.00371944  0.00358579  -0.02961024 201 GLN   A HA   
1464 H  HB2  . GLN   A 89  ? 0.11588757 0.19693829 0.35847732 0.00673813  0.00000052  -0.02561334 201 GLN   A HB2  
1465 H  HB3  . GLN   A 89  ? 0.11553502 0.19807456 0.35829929 0.00704828  0.00036327  -0.02553212 201 GLN   A HB3  
1466 H  HG2  . GLN   A 89  ? 0.13313517 0.21416408 0.36825052 0.00678837  -0.00335467 -0.02202468 201 GLN   A HG2  
1467 H  HG3  . GLN   A 89  ? 0.13287447 0.21286230 0.36799407 0.00618381  -0.00374496 -0.02205720 201 GLN   A HG3  
1468 H  HE21 . GLN   A 89  ? 0.17359893 0.24644537 0.39044842 0.01049886  -0.01138147 -0.01154548 201 GLN   A HE21 
1469 H  HE22 . GLN   A 89  ? 0.17312935 0.24711441 0.38979459 0.01076188  -0.01000015 -0.01199116 201 GLN   A HE22 
1470 N  N    . VAL   A 90  ? 0.09684992 0.17609933 0.34287703 -0.00443398 0.00860040  -0.02944406 202 VAL   A N    
1471 C  CA   . VAL   A 90  ? 0.10268939 0.17467287 0.34148097 -0.00020089 0.00594722  -0.02760046 202 VAL   A CA   
1472 C  C    . VAL   A 90  ? 0.10953568 0.17346318 0.34388843 0.00345535  0.01183739  -0.02063284 202 VAL   A C    
1473 O  O    . VAL   A 90  ? 0.10511004 0.17513059 0.35031173 0.00330241  0.01411137  -0.02135963 202 VAL   A O    
1474 C  CB   . VAL   A 90  ? 0.10860283 0.18398857 0.34066063 -0.00011774 0.00648394  -0.02480009 202 VAL   A CB   
1475 C  CG1  . VAL   A 90  ? 0.11829608 0.19308078 0.34429106 -0.00347263 0.00190434  -0.02122829 202 VAL   A CG1  
1476 C  CG2  . VAL   A 90  ? 0.10596876 0.18561776 0.33949420 -0.00531131 0.00468482  -0.02391554 202 VAL   A CG2  
1477 H  H    . VAL   A 90  ? 0.09677899 0.17617579 0.34313029 -0.00201482 0.00772884  -0.02930960 202 VAL   A H    
1478 H  HA   . VAL   A 90  ? 0.10366438 0.17632017 0.34225759 -0.00031776 0.00783245  -0.02617163 202 VAL   A HA   
1479 H  HB   . VAL   A 90  ? 0.10760316 0.18388394 0.34107950 -0.00125607 0.00572980  -0.02469276 202 VAL   A HB   
1480 H  HG11 . VAL   A 90  ? 0.11773816 0.19098449 0.34372953 -0.00321313 0.00220431  -0.02195855 202 VAL   A HG11 
1481 H  HG12 . VAL   A 90  ? 0.11588759 0.19220953 0.34335950 -0.00268654 0.00306801  -0.02212528 202 VAL   A HG12 
1482 H  HG13 . VAL   A 90  ? 0.11589863 0.19082884 0.34350172 -0.00264190 0.00302480  -0.02228316 202 VAL   A HG13 
1483 H  HG21 . VAL   A 90  ? 0.10666796 0.18512027 0.33966842 -0.00390784 0.00505916  -0.02415575 202 VAL   A HG21 
1484 H  HG22 . VAL   A 90  ? 0.10605555 0.18499154 0.33956575 -0.00413718 0.00472498  -0.02435395 202 VAL   A HG22 
1485 H  HG23 . VAL   A 90  ? 0.10700937 0.18519713 0.33985716 -0.00406799 0.00487695  -0.02410898 202 VAL   A HG23 
1486 N  N    . LEU   A 91  ? 0.11648104 0.17255144 0.35024074 -0.00119141 0.01197459  -0.01612994 203 LEU   A N    
1487 C  CA   . LEU   A 91  ? 0.13974912 0.17797177 0.35592702 -0.00289182 0.01121475  -0.00942955 203 LEU   A CA   
1488 C  C    . LEU   A 91  ? 0.12941213 0.17128856 0.35492459 -0.00670944 0.01092275  -0.00872074 203 LEU   A C    
1489 O  O    . LEU   A 91  ? 0.12384014 0.18325031 0.35571459 -0.00679617 0.01567434  -0.01992454 203 LEU   A O    
1490 C  CB   . LEU   A 91  ? 0.16422796 0.19715188 0.36515129 -0.00810381 0.01625736  -0.00249463 203 LEU   A CB   
1491 C  CG   . LEU   A 91  ? 0.20535743 0.20614597 0.37854984 -0.01078264 0.02083786  0.00190450  203 LEU   A CG   
1492 C  CD1  . LEU   A 91  ? 0.20910054 0.20677125 0.38092375 -0.00898644 0.01667521  0.00567760  203 LEU   A CD1  
1493 C  CD2  . LEU   A 91  ? 0.22161336 0.21582770 0.38275197 -0.01303096 0.02635418  0.00393597  203 LEU   A CD2  
1494 H  H    . LEU   A 91  ? 0.11911511 0.17377874 0.34962562 0.00005712  0.01219078  -0.01613053 203 LEU   A H    
1495 H  HA   . LEU   A 91  ? 0.13786811 0.17887253 0.35604426 -0.00455064 0.01204317  -0.00938502 203 LEU   A HA   
1496 H  HB2  . LEU   A 91  ? 0.16578998 0.19386026 0.36530373 -0.00739600 0.01595882  -0.00329658 203 LEU   A HB2  
1497 H  HB3  . LEU   A 91  ? 0.16553462 0.19375743 0.36516047 -0.00755485 0.01577622  -0.00342152 203 LEU   A HB3  
1498 H  HG   . LEU   A 91  ? 0.20038904 0.20602059 0.37754002 -0.00989802 0.02085895  0.00246516  203 LEU   A HG   
1499 H  HD11 . LEU   A 91  ? 0.20698936 0.20615044 0.38057011 -0.00938980 0.01760381  0.00431553  203 LEU   A HD11 
1500 H  HD12 . LEU   A 91  ? 0.20777769 0.20651455 0.38033018 -0.00946658 0.01787323  0.00451083  203 LEU   A HD12 
1501 H  HD13 . LEU   A 91  ? 0.20792176 0.20654523 0.38046011 -0.00938531 0.01801105  0.00459488  203 LEU   A HD13 
1502 H  HD21 . LEU   A 91  ? 0.21937631 0.21395637 0.38171569 -0.01351491 0.02477957  0.00345327  203 LEU   A HD21 
1503 H  HD22 . LEU   A 91  ? 0.21795000 0.21367322 0.38252300 -0.01213496 0.02554761  0.00384602  203 LEU   A HD22 
1504 H  HD23 . LEU   A 91  ? 0.21739595 0.21469580 0.38174269 -0.01234993 0.02484029  0.00321184  203 LEU   A HD23 
1505 N  N    . VAL   A 92  ? 0.12751962 0.17367297 0.35099253 -0.00635922 0.01086007  -0.00483847 204 VAL   A N    
1506 C  CA   . VAL   A 92  ? 0.14125782 0.17580353 0.35275489 -0.00795184 0.00875131  -0.00245056 204 VAL   A CA   
1507 C  C    . VAL   A 92  ? 0.15236844 0.18014459 0.35842234 -0.01655399 0.01132218  -0.00263116 204 VAL   A C    
1508 O  O    . VAL   A 92  ? 0.13531148 0.18358995 0.36673632 -0.01000441 0.01038499  -0.00638140 204 VAL   A O    
1509 C  CB   . VAL   A 92  ? 0.13659301 0.17624642 0.35296527 -0.00572661 0.00805689  -0.00026215 204 VAL   A CB   
1510 C  CG1  . VAL   A 92  ? 0.14088222 0.17902812 0.35264632 -0.00418233 0.00605972  -0.00093507 204 VAL   A CG1  
1511 C  CG2  . VAL   A 92  ? 0.13218784 0.18547204 0.35590237 -0.01001655 0.00988508  -0.00232845 204 VAL   A CG2  
1512 H  H    . VAL   A 92  ? 0.12861955 0.17358421 0.35240507 -0.00605355 0.01019209  -0.00516387 204 VAL   A H    
1513 H  HA   . VAL   A 92  ? 0.13936955 0.17596947 0.35352618 -0.00872219 0.00946008  -0.00251796 204 VAL   A HA   
1514 H  HB   . VAL   A 92  ? 0.13685149 0.17737040 0.35328683 -0.00585999 0.00791696  -0.00073576 204 VAL   A HB   
1515 H  HG11 . VAL   A 92  ? 0.13980836 0.17847487 0.35284159 -0.00466628 0.00662025  -0.00082325 204 VAL   A HG11 
1516 H  HG12 . VAL   A 92  ? 0.13997172 0.17893760 0.35291460 -0.00432395 0.00649615  -0.00098491 204 VAL   A HG12 
1517 H  HG13 . VAL   A 92  ? 0.13984852 0.17841305 0.35300300 -0.00463365 0.00644885  -0.00073890 204 VAL   A HG13 
1518 H  HG21 . VAL   A 92  ? 0.13360959 0.18292060 0.35515335 -0.00883692 0.00952134  -0.00164962 204 VAL   A HG21 
1519 H  HG22 . VAL   A 92  ? 0.13355829 0.18286325 0.35503247 -0.00888519 0.00944375  -0.00181503 204 VAL   A HG22 
1520 H  HG23 . VAL   A 92  ? 0.13410459 0.18381162 0.35518369 -0.00954875 0.00966804  -0.00207859 204 VAL   A HG23 
1521 N  N    . GLU   A 93  ? 0.15362322 0.17929018 0.36453313 -0.03184937 0.01372676  -0.00014980 205 GLU   A N    
1522 C  CA   . GLU   A 93  ? 0.17884222 0.19229653 0.36978233 -0.04528673 0.01396667  0.00082957  205 GLU   A CA   
1523 C  C    . GLU   A 93  ? 0.17763807 0.18076427 0.36093843 -0.04996365 0.01907221  0.00429270  205 GLU   A C    
1524 O  O    . GLU   A 93  ? 0.17544781 0.17391843 0.35799649 -0.04685913 0.01747227  0.00603050  205 GLU   A O    
1525 C  CB   . GLU   A 93  ? 0.20394754 0.21836139 0.38149059 -0.04412330 0.01827442  -0.00340866 205 GLU   A CB   
1526 C  CG   . GLU   A 93  ? 0.23613736 0.24464490 0.39711726 -0.04635571 0.00877030  -0.00685636 205 GLU   A CG   
1527 C  CD   . GLU   A 93  ? 0.27947107 0.28949803 0.41762042 -0.04524812 0.01563050  -0.01258885 205 GLU   A CD   
1528 O  OE1  . GLU   A 93  ? 0.28681031 0.33296105 0.44973677 -0.03080827 0.02479582  -0.01058409 205 GLU   A OE1  
1529 O  OE2  . GLU   A 93  ? 0.36258894 0.34342757 0.43746865 -0.03944043 0.00509605  -0.02677879 205 GLU   A OE2  
1530 H  H    . GLU   A 93  ? 0.15816571 0.18125637 0.36383429 -0.03020429 0.01294112  -0.00019870 205 GLU   A H    
1531 H  HA   . GLU   A 93  ? 0.17716283 0.19201609 0.36884135 -0.04342927 0.01588891  0.00017774  205 GLU   A HA   
1532 H  HB2  . GLU   A 93  ? 0.20398770 0.21722662 0.38155729 -0.04525677 0.01531736  -0.00336975 205 GLU   A HB2  
1533 H  HB3  . GLU   A 93  ? 0.20397177 0.21728098 0.38153031 -0.04463382 0.01525527  -0.00318133 205 GLU   A HB3  
1534 H  HG2  . GLU   A 93  ? 0.23553231 0.24583912 0.39681518 -0.04525436 0.01241866  -0.00701678 205 GLU   A HG2  
1535 H  HG3  . GLU   A 93  ? 0.23527114 0.24538442 0.39665180 -0.04564054 0.01257891  -0.00700211 205 GLU   A HG3  
1536 N  N    . PRO   A 94  ? 0.16369438 0.18172535 0.35743827 -0.04977360 0.02157936  0.00497492  206 PRO   A N    
1537 C  CA   . PRO   A 94  ? 0.16376938 0.18582997 0.35594043 -0.04796838 0.01987356  0.00719728  206 PRO   A CA   
1538 C  C    . PRO   A 94  ? 0.15538807 0.18555865 0.35076681 -0.05272711 0.01868400  0.00680128  206 PRO   A C    
1539 O  O    . PRO   A 94  ? 0.14882046 0.20516250 0.35095954 -0.05736271 0.02762765  0.00629623  206 PRO   A O    
1540 C  CB   . PRO   A 94  ? 0.17156798 0.18722460 0.36025861 -0.05074384 0.02026750  0.00694747  206 PRO   A CB   
1541 C  CG   . PRO   A 94  ? 0.16680317 0.18535152 0.36088586 -0.05033625 0.02234205  0.00670517  206 PRO   A CG   
1542 C  CD   . PRO   A 94  ? 0.16812257 0.18579084 0.35863161 -0.04733510 0.02055780  0.00534936  206 PRO   A CD   
1543 H  HA   . PRO   A 94  ? 0.16344836 0.18527496 0.35610563 -0.04949290 0.02011940  0.00661616  206 PRO   A HA   
1544 H  HB2  . PRO   A 94  ? 0.17040040 0.18660161 0.35960627 -0.05042562 0.02005170  0.00711411  206 PRO   A HB2  
1545 H  HB3  . PRO   A 94  ? 0.16905224 0.18668871 0.35962111 -0.05009430 0.02054321  0.00715264  206 PRO   A HB3  
1546 H  HG2  . PRO   A 94  ? 0.16790117 0.18556613 0.35987291 -0.04994789 0.02176861  0.00675645  206 PRO   A HG2  
1547 H  HG3  . PRO   A 94  ? 0.16778226 0.18569542 0.36011398 -0.04958973 0.02166283  0.00643645  206 PRO   A HG3  
1548 H  HD2  . PRO   A 94  ? 0.16717902 0.18497860 0.35911572 -0.04857710 0.02104773  0.00553712  206 PRO   A HD2  
1549 H  HD3  . PRO   A 94  ? 0.16708937 0.18486474 0.35904834 -0.04852825 0.02115441  0.00549811  206 PRO   A HD3  
1550 N  N    . ASP   A 95  ? 0.15292557 0.18342440 0.35031343 -0.05018998 0.01573556  0.00490597  207 ASP   A N    
1551 C  CA   . ASP   A 95  ? 0.15363410 0.17788753 0.35795754 -0.04633792 0.01358303  -0.00008128 207 ASP   A CA   
1552 C  C    . ASP   A 95  ? 0.14505564 0.17663608 0.35709473 -0.04649621 0.00965006  0.00379535  207 ASP   A C    
1553 O  O    . ASP   A 95  ? 0.14565267 0.16394542 0.35453534 -0.04733582 0.01374387  0.00192712  207 ASP   A O    
1554 C  CB   . ASP   A 95  ? 0.15947165 0.18066309 0.36352742 -0.04667215 0.01672661  0.00015917  207 ASP   A CB   
1555 C  CG   . ASP   A 95  ? 0.17470159 0.19338860 0.37074429 -0.05171567 0.01264310  -0.00889987 207 ASP   A CG   
1556 O  OD1  . ASP   A 95  ? 0.17146070 0.20354861 0.38077292 -0.05578630 0.01973464  -0.01261273 207 ASP   A OD1  
1557 O  OD2  . ASP   A 95  ? 0.19634214 0.21267979 0.37974158 -0.05466376 0.02625497  -0.00830029 207 ASP   A OD2  
1558 H  H    . ASP   A 95  ? 0.15386166 0.18262394 0.35153437 -0.04986727 0.01578554  0.00421572  207 ASP   A H    
1559 H  HA   . ASP   A 95  ? 0.15310901 0.17961068 0.35730642 -0.04731504 0.01397098  0.00156087  207 ASP   A HA   
1560 H  HB2  . ASP   A 95  ? 0.16124736 0.18259294 0.36372122 -0.04752998 0.01504552  -0.00182596 207 ASP   A HB2  
1561 H  HB3  . ASP   A 95  ? 0.16051486 0.18170945 0.36363530 -0.04685380 0.01485196  -0.00159748 207 ASP   A HB3  
1562 N  N    . HIS   A 96  ? 0.15378737 0.17543466 0.36080661 -0.04307681 0.00157898  0.00193999  208 HIS   A N    
1563 C  CA   . HIS   A 96  ? 0.15087253 0.17738393 0.36246508 -0.04427951 -0.00192188 0.00742723  208 HIS   A CA   
1564 C  C    . HIS   A 96  ? 0.14504972 0.16563712 0.35215086 -0.03814446 -0.00260764 0.00633416  208 HIS   A C    
1565 O  O    . HIS   A 96  ? 0.15486921 0.15828733 0.35198346 -0.04051729 -0.00917354 0.00362257  208 HIS   A O    
1566 C  CB   . HIS   A 96  ? 0.17867422 0.19875252 0.37384123 -0.04540984 0.00755269  0.00677248  208 HIS   A CB   
1567 C  CG   . HIS   A 96  ? 0.20753655 0.22556908 0.38974106 -0.04703765 0.01024095  0.01563762  208 HIS   A CG   
1568 N  ND1  . HIS   A 96  ? 0.22373901 0.25854293 0.40038207 -0.05126017 0.02648104  0.02899044  208 HIS   A ND1  
1569 C  CD2  . HIS   A 96  ? 0.21567275 0.24704109 0.40002367 -0.04991244 0.01104269  0.02295904  208 HIS   A CD2  
1570 C  CE1  . HIS   A 96  ? 0.22842124 0.26553386 0.40490508 -0.05027598 0.01837911  0.02918967  208 HIS   A CE1  
1571 N  NE2  . HIS   A 96  ? 0.23109458 0.26907080 0.40526131 -0.05067005 0.01922762  0.02933563  208 HIS   A NE2  
1572 H  H    . HIS   A 96  ? 0.15107043 0.17624690 0.36009765 -0.04427183 0.00295871  0.00361405  208 HIS   A H    
1573 H  HA   . HIS   A 96  ? 0.15418544 0.17782314 0.36117271 -0.04284153 0.00025889  0.00610587  208 HIS   A HA   
1574 H  HB2  . HIS   A 96  ? 0.17620616 0.19832473 0.37331432 -0.04501161 0.00578888  0.00862328  208 HIS   A HB2  
1575 H  HB3  . HIS   A 96  ? 0.17817222 0.19925007 0.37401310 -0.04510071 0.00643557  0.00875531  208 HIS   A HB3  
1576 H  HD1  . HIS   A 96  ? 0.33523378 0.33523378 0.33523378 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1577 H  HD2  . HIS   A 96  ? 0.21609238 0.24580736 0.39837685 -0.04967206 0.01271354  0.02255892  208 HIS   A HD2  
1578 H  HE1  . HIS   A 96  ? 0.22816984 0.26482004 0.40427873 -0.04997096 0.01975826  0.02839643  208 HIS   A HE1  
1579 H  HE2  . HIS   A 96  ? 0.35529536 0.35529536 0.35529536 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1580 N  N    . PHE   A 97  ? 0.12954964 0.16037144 0.34516349 -0.03228613 -0.00850941 0.00376431  209 PHE   A N    
1581 C  CA   . PHE   A 97  ? 0.12852550 0.16168831 0.34754866 -0.02876798 -0.01088534 0.00273219  209 PHE   A CA   
1582 C  C    . PHE   A 97  ? 0.12770328 0.16831940 0.35126832 -0.02099749 -0.00926633 -0.00380722 209 PHE   A C    
1583 O  O    . PHE   A 97  ? 0.13318823 0.19031563 0.35802045 -0.00834366 -0.01137435 -0.01099554 209 PHE   A O    
1584 C  CB   . PHE   A 97  ? 0.13485077 0.16076721 0.34736285 -0.02917188 -0.01037718 0.00502491  209 PHE   A CB   
1585 C  CG   . PHE   A 97  ? 0.14445262 0.16444628 0.34517491 -0.02946363 -0.01303299 0.00403479  209 PHE   A CG   
1586 C  CD1  . PHE   A 97  ? 0.14872546 0.17836942 0.34496763 -0.02397773 -0.01180169 0.00365242  209 PHE   A CD1  
1587 C  CD2  . PHE   A 97  ? 0.14566673 0.16096026 0.34452987 -0.03068242 -0.01239495 0.00481909  209 PHE   A CD2  
1588 C  CE1  . PHE   A 97  ? 0.15426914 0.18551272 0.34692645 -0.02316720 -0.00997568 0.00394826  209 PHE   A CE1  
1589 C  CE2  . PHE   A 97  ? 0.15837310 0.17129858 0.34429303 -0.03165575 -0.01289073 0.00542661  209 PHE   A CE2  
1590 C  CZ   . PHE   A 97  ? 0.16140845 0.17855516 0.34088913 -0.02705960 -0.00971474 0.00448705  209 PHE   A CZ   
1591 H  H    . PHE   A 97  ? 0.13254021 0.16144688 0.34679425 -0.03238418 -0.00820961 0.00481009  209 PHE   A H    
1592 H  HA   . PHE   A 97  ? 0.12958765 0.16227563 0.34780037 -0.02793284 -0.00998065 0.00210926  209 PHE   A HA   
1593 H  HB2  . PHE   A 97  ? 0.13529478 0.16156587 0.34692574 -0.02885498 -0.01111943 0.00432921  209 PHE   A HB2  
1594 H  HB3  . PHE   A 97  ? 0.13560423 0.16184354 0.34701902 -0.02895739 -0.01097723 0.00430837  209 PHE   A HB3  
1595 H  HD1  . PHE   A 97  ? 0.14886397 0.17637028 0.34520996 -0.02516990 -0.01180111 0.00387333  209 PHE   A HD1  
1596 H  HD2  . PHE   A 97  ? 0.14672183 0.16410327 0.34461835 -0.02985536 -0.01248848 0.00471861  209 PHE   A HD2  
1597 H  HE1  . PHE   A 97  ? 0.15415527 0.18173681 0.34502178 -0.02426229 -0.01036136 0.00401349  209 PHE   A HE1  
1598 H  HE2  . PHE   A 97  ? 0.15571783 0.17058100 0.34358883 -0.03027563 -0.01168462 0.00498376  209 PHE   A HE2  
1599 H  HZ   . PHE   A 97  ? 0.15862723 0.17811053 0.34241390 -0.02716542 -0.01025884 0.00437118  209 PHE   A HZ   
1600 N  N    . LYS   A 98  ? 0.12022851 0.16848272 0.35187706 -0.02262684 -0.00592490 -0.00899616 210 LYS   A N    
1601 C  CA   . LYS   A 98  ? 0.12103056 0.17381155 0.35578033 -0.02298773 -0.00434562 -0.01341460 210 LYS   A CA   
1602 C  C    . LYS   A 98  ? 0.11245020 0.16710442 0.35004857 -0.01815121 -0.00116175 -0.01357155 210 LYS   A C    
1603 O  O    . LYS   A 98  ? 0.11998507 0.16341007 0.37010792 -0.01629322 0.01051633  -0.02456746 210 LYS   A O    
1604 C  CB   . LYS   A 98  ? 0.14122684 0.19015138 0.36041275 -0.02386348 -0.00199434 -0.01155801 210 LYS   A CB   
1605 C  CG   . LYS   A 98  ? 0.16272666 0.21006465 0.36396483 -0.02528108 -0.00518426 -0.01570643 210 LYS   A CG   
1606 H  H    . LYS   A 98  ? 0.12163211 0.16905452 0.35251316 -0.02186417 -0.00630690 -0.00867664 210 LYS   A H    
1607 H  HA   . LYS   A 98  ? 0.12219872 0.17401606 0.35443792 -0.02193858 -0.00368781 -0.01217013 210 LYS   A HA   
1608 H  HB2  . LYS   A 98  ? 0.14113419 0.19070998 0.36008936 -0.02348883 -0.00299945 -0.01264641 210 LYS   A HB2  
1609 H  HB3  . LYS   A 98  ? 0.14110361 0.19036847 0.36003172 -0.02385384 -0.00305507 -0.01278360 210 LYS   A HB3  
1610 H  HG2  . LYS   A 98  ? 0.15741114 0.20474258 0.36324632 -0.02324434 -0.00318997 -0.01359413 210 LYS   A HG2  
1611 H  HG3  . LYS   A 98  ? 0.31576744 0.31576744 0.31576744 0.00000000  0.00000000  0.00000000  210 LYS   A HG3  
1612 N  N    . VAL   A 99  ? 0.09501734 0.16174336 0.33803165 -0.01614839 -0.00127798 -0.01063900 211 VAL   A N    
1613 C  CA   . VAL   A 99  ? 0.09493629 0.16409622 0.33285514 -0.01424697 -0.00077450 -0.00817073 211 VAL   A CA   
1614 C  C    . VAL   A 99  ? 0.10640347 0.16398007 0.32738802 -0.01135717 0.00708829  -0.00959189 211 VAL   A C    
1615 O  O    . VAL   A 99  ? 0.10692413 0.16819029 0.32421020 -0.01157593 0.01270852  -0.00383700 211 VAL   A O    
1616 C  CB   . VAL   A 99  ? 0.09576628 0.17110644 0.33652997 -0.01129245 -0.00370737 -0.00391566 211 VAL   A CB   
1617 C  CG1  . VAL   A 99  ? 0.09883495 0.17287435 0.33506262 -0.01188251 -0.00743346 -0.00386965 211 VAL   A CG1  
1618 C  CG2  . VAL   A 99  ? 0.09656139 0.17787200 0.33956763 -0.00937934 -0.00581227 -0.00202579 211 VAL   A CG2  
1619 H  H    . VAL   A 99  ? 0.09610056 0.16349046 0.33965284 -0.01559648 -0.00065818 -0.01087653 211 VAL   A H    
1620 H  HA   . VAL   A 99  ? 0.09674196 0.16486645 0.33367133 -0.01314407 0.00046843  -0.00857372 211 VAL   A HA   
1621 H  HB   . VAL   A 99  ? 0.09584210 0.17122056 0.33605599 -0.01141012 -0.00408585 -0.00441877 211 VAL   A HB   
1622 H  HG11 . VAL   A 99  ? 0.09876985 0.17247891 0.33550352 -0.01203901 -0.00646511 -0.00382981 211 VAL   A HG11 
1623 H  HG12 . VAL   A 99  ? 0.09817528 0.17233777 0.33541015 -0.01178222 -0.00628847 -0.00391263 211 VAL   A HG12 
1624 H  HG13 . VAL   A 99  ? 0.09813739 0.17237914 0.33548373 -0.01178236 -0.00634616 -0.00387384 211 VAL   A HG13 
1625 H  HG21 . VAL   A 99  ? 0.09657338 0.17631285 0.33880475 -0.00992423 -0.00512419 -0.00278361 211 VAL   A HG21 
1626 H  HG22 . VAL   A 99  ? 0.09706793 0.17633101 0.33873352 -0.00946896 -0.00500341 -0.00253151 211 VAL   A HG22 
1627 H  HG23 . VAL   A 99  ? 0.09681069 0.17608878 0.33872765 -0.00999402 -0.00523045 -0.00256944 211 VAL   A HG23 
1628 N  N    . ALA   A 100 ? 0.10710062 0.16483101 0.32183087 -0.01120182 0.00838168  -0.01332625 212 ALA   A N    
1629 C  CA   . ALA   A 100 ? 0.11916956 0.17417149 0.32232630 -0.01294142 0.00988610  -0.01451189 212 ALA   A CA   
1630 C  C    . ALA   A 100 ? 0.10970447 0.17547987 0.32030585 -0.01082332 0.01255342  -0.01648084 212 ALA   A C    
1631 O  O    . ALA   A 100 ? 0.10696793 0.18271241 0.33379015 -0.01918600 0.01910063  -0.01848163 212 ALA   A O    
1632 C  CB   . ALA   A 100 ? 0.13950247 0.18316877 0.32485935 -0.00540954 0.00571887  -0.01521872 212 ALA   A CB   
1633 H  H    . ALA   A 100 ? 0.10820682 0.16635890 0.32298380 -0.01110768 0.00897579  -0.01296952 212 ALA   A H    
1634 H  HA   . ALA   A 100 ? 0.11904135 0.17456475 0.32241163 -0.01141100 0.00902418  -0.01445900 212 ALA   A HA   
1635 H  HB1  . ALA   A 100 ? 0.13620591 0.18286249 0.32419339 -0.00542170 0.00678960  -0.01491540 212 ALA   A HB1  
1636 H  HB2  . ALA   A 100 ? 0.13579737 0.18140368 0.32442474 -0.00813155 0.00620987  -0.01459259 212 ALA   A HB2  
1637 H  HB3  . ALA   A 100 ? 0.13421389 0.18105440 0.32439101 -0.00734410 0.00684679  -0.01481417 212 ALA   A HB3  
1638 N  N    . VAL   A 101 ? 0.10030665 0.17677358 0.31652832 -0.01207532 0.00965093  -0.01703196 213 VAL   A N    
1639 C  CA   . VAL   A 101 ? 0.10165369 0.17318261 0.31392878 -0.01138564 0.00941950  -0.01455943 213 VAL   A CA   
1640 C  C    . VAL   A 101 ? 0.11448826 0.18137875 0.31169355 -0.00895590 0.00805107  -0.01673840 213 VAL   A C    
1641 O  O    . VAL   A 101 ? 0.10368880 0.18985215 0.30796194 -0.00732953 0.00389231  -0.01458017 213 VAL   A O    
1642 C  CB   . VAL   A 101 ? 0.09060404 0.17697573 0.31621486 -0.01178490 0.01263492  -0.01089531 213 VAL   A CB   
1643 C  CG1  . VAL   A 101 ? 0.10843229 0.17394185 0.31831872 -0.01557536 0.00952789  -0.01064247 213 VAL   A CG1  
1644 C  CG2  . VAL   A 101 ? 0.08849823 0.17937823 0.31967086 -0.01128344 0.01188645  -0.00824245 213 VAL   A CG2  
1645 H  H    . VAL   A 101 ? 0.10226857 0.17563115 0.31658033 -0.01157430 0.01074156  -0.01634814 213 VAL   A H    
1646 H  HA   . VAL   A 101 ? 0.10199118 0.17637831 0.31460199 -0.01118458 0.00989308  -0.01489954 213 VAL   A HA   
1647 H  HB   . VAL   A 101 ? 0.09339738 0.17600159 0.31588909 -0.01172966 0.01273184  -0.01141283 213 VAL   A HB   
1648 H  HG11 . VAL   A 101 ? 0.10579928 0.17519949 0.31853762 -0.01511066 0.00901379  -0.01034538 213 VAL   A HG11 
1649 H  HG12 . VAL   A 101 ? 0.10380215 0.17506632 0.31800213 -0.01451485 0.01011349  -0.01066443 213 VAL   A HG12 
1650 H  HG13 . VAL   A 101 ? 0.10386478 0.17543298 0.31816074 -0.01432942 0.01005987  -0.01073570 213 VAL   A HG13 
1651 H  HG21 . VAL   A 101 ? 0.08923568 0.17867282 0.31865180 -0.01143099 0.01208047  -0.00903264 213 VAL   A HG21 
1652 H  HG22 . VAL   A 101 ? 0.08931850 0.17873409 0.31864557 -0.01136213 0.01208397  -0.00905350 213 VAL   A HG22 
1653 H  HG23 . VAL   A 101 ? 0.08930541 0.17869091 0.31870258 -0.01145862 0.01201367  -0.00900579 213 VAL   A HG23 
1654 N  N    . ASN   A 102 ? 0.11767590 0.18681753 0.31003794 -0.00778048 0.00198531  -0.01891826 214 ASN   A N    
1655 C  CA   . ASN   A 102 ? 0.13345067 0.20114020 0.31138220 -0.00958181 -0.00037063 -0.02099456 214 ASN   A CA   
1656 C  C    . ASN   A 102 ? 0.14719838 0.22547451 0.31812847 -0.01149936 0.00196529  -0.00928784 214 ASN   A C    
1657 O  O    . ASN   A 102 ? 0.15641819 0.23712675 0.32468116 -0.00791839 0.00949134  -0.00834430 214 ASN   A O    
1658 C  CB   . ASN   A 102 ? 0.12793179 0.19837284 0.30660596 -0.00976816 0.00077506  -0.02528881 214 ASN   A CB   
1659 C  CG   . ASN   A 102 ? 0.12372740 0.18987305 0.30651858 -0.00955391 0.00058846  -0.03081110 214 ASN   A CG   
1660 O  OD1  . ASN   A 102 ? 0.11964101 0.18418506 0.30300161 -0.01185075 0.00214149  -0.03155173 214 ASN   A OD1  
1661 N  ND2  . ASN   A 102 ? 0.12573430 0.19110546 0.31633067 -0.00852805 -0.00025529 -0.02961182 214 ASN   A ND2  
1662 H  H    . ASN   A 102 ? 0.11987633 0.18832815 0.31065446 -0.00849154 0.00316826  -0.01878252 214 ASN   A H    
1663 H  HA   . ASN   A 102 ? 0.13277155 0.20146695 0.31120795 -0.00992457 0.00063459  -0.01942600 214 ASN   A HA   
1664 H  HB2  . ASN   A 102 ? 0.12798218 0.19682197 0.30764118 -0.00966697 0.00050078  -0.02554421 214 ASN   A HB2  
1665 H  HB3  . ASN   A 102 ? 0.12814687 0.19706738 0.30742854 -0.00967049 0.00039958  -0.02554626 214 ASN   A HB3  
1666 H  HD21 . ASN   A 102 ? 0.12576701 0.19096610 0.31374699 -0.00901681 -0.00059957 -0.02978707 214 ASN   A HD21 
1667 H  HD22 . ASN   A 102 ? 0.12532884 0.19108649 0.31350404 -0.00870492 -0.00027532 -0.03023715 214 ASN   A HD22 
1668 N  N    . ASP   A 103 ? 0.15817018 0.23418024 0.32687393 -0.01555253 -0.00173823 -0.00665771 215 ASP   A N    
1669 C  CA   . ASP   A 103 ? 0.17886120 0.25207818 0.34108573 -0.01754445 0.00331522  0.00395418  215 ASP   A CA   
1670 C  C    . ASP   A 103 ? 0.17671585 0.26064572 0.33962929 -0.01665002 0.00841059  0.00827675  215 ASP   A C    
1671 O  O    . ASP   A 103 ? 0.20568837 0.28404865 0.35175300 -0.01132374 0.01136473  0.02360595  215 ASP   A O    
1672 C  CB   . ASP   A 103 ? 0.20178296 0.26759279 0.35282749 -0.01628185 -0.00545775 0.00801688  215 ASP   A CB   
1673 C  CG   . ASP   A 103 ? 0.21477935 0.28437817 0.37248608 -0.01073295 -0.00236451 0.00830230  215 ASP   A CG   
1674 O  OD1  . ASP   A 103 ? 0.24955675 0.28904560 0.38571984 -0.01290174 -0.00937869 0.00762635  215 ASP   A OD1  
1675 O  OD2  . ASP   A 103 ? 0.23326400 0.30892304 0.40532836 -0.01877760 -0.01865827 0.00601172  215 ASP   A OD2  
1676 H  H    . ASP   A 103 ? 0.15858269 0.23440422 0.32727405 -0.01482763 0.00026687  -0.00533130 215 ASP   A H    
1677 H  HA   . ASP   A 103 ? 0.17808194 0.25268903 0.34000838 -0.01673928 0.00158820  0.00349548  215 ASP   A HA   
1678 H  HB2  . ASP   A 103 ? 0.19827592 0.26722029 0.35391578 -0.01527715 -0.00261331 0.00713439  215 ASP   A HB2  
1679 H  HB3  . ASP   A 103 ? 0.19861504 0.26741898 0.35392377 -0.01522814 -0.00257208 0.00709062  215 ASP   A HB3  
1680 N  N    . ALA   A 104 ? 0.15300837 0.26081952 0.33241019 -0.01465668 0.01819398  0.00437813  216 ALA   A N    
1681 C  CA   . ALA   A 104 ? 0.14796239 0.26154369 0.33432460 -0.02141002 0.01725389  -0.00080105 216 ALA   A CA   
1682 C  C    . ALA   A 104 ? 0.13712087 0.26252735 0.33336180 -0.01961134 0.02330105  -0.00447734 216 ALA   A C    
1683 O  O    . ALA   A 104 ? 0.13313650 0.25277421 0.32771930 -0.01455563 0.01629796  -0.00532360 216 ALA   A O    
1684 C  CB   . ALA   A 104 ? 0.14519055 0.26810339 0.33444291 -0.01763173 0.01591779  -0.00479704 216 ALA   A CB   
1685 H  H    . ALA   A 104 ? 0.15669599 0.25931597 0.33348072 -0.01693275 0.01580448  0.00438199  216 ALA   A H    
1686 H  HA   . ALA   A 104 ? 0.14675105 0.26259640 0.33368492 -0.01922814 0.01845702  -0.00076611 216 ALA   A HA   
1687 H  HB1  . ALA   A 104 ? 0.14581904 0.26632616 0.33431748 -0.01868715 0.01615405  -0.00379943 216 ALA   A HB1  
1688 H  HB2  . ALA   A 104 ? 0.14596307 0.26689938 0.33493376 -0.01844019 0.01603792  -0.00427776 216 ALA   A HB2  
1689 H  HB3  . ALA   A 104 ? 0.14534421 0.26632762 0.33448020 -0.01864040 0.01631564  -0.00377960 216 ALA   A HB3  
1690 N  N    . HIS   A 105 ? 0.14548613 0.26442468 0.33585894 -0.02473833 0.02853237  -0.00376010 217 HIS   A N    
1691 C  CA   . HIS   A 105 ? 0.14228871 0.27621707 0.34327647 -0.02840907 0.02521311  -0.00722530 217 HIS   A CA   
1692 C  C    . HIS   A 105 ? 0.13751626 0.27276224 0.34092078 -0.01945797 0.02464445  -0.01514072 217 HIS   A C    
1693 O  O    . HIS   A 105 ? 0.16024445 0.28881550 0.33450150 -0.01718112 0.02349513  -0.02383312 217 HIS   A O    
1694 C  CB   . HIS   A 105 ? 0.14746831 0.28456640 0.35278520 -0.03690191 0.02173325  -0.00698580 217 HIS   A CB   
1695 C  CG   . HIS   A 105 ? 0.16653889 0.30360153 0.36071000 -0.04443317 0.01489412  -0.00892928 217 HIS   A CG   
1696 N  ND1  . HIS   A 105 ? 0.18208510 0.31603831 0.37331781 -0.04444511 0.00489374  -0.01813082 217 HIS   A ND1  
1697 C  CD2  . HIS   A 105 ? 0.16866261 0.31224555 0.36575699 -0.04526898 0.01594621  -0.00817332 217 HIS   A CD2  
1698 C  CE1  . HIS   A 105 ? 0.17915249 0.31896809 0.37299764 -0.04203822 0.00315832  -0.01521599 217 HIS   A CE1  
1699 N  NE2  . HIS   A 105 ? 0.17144157 0.31710011 0.36607620 -0.05306870 0.01580463  -0.01132866 217 HIS   A NE2  
1700 H  H    . HIS   A 105 ? 0.14278996 0.26623732 0.33591452 -0.02445689 0.02660742  -0.00403048 217 HIS   A H    
1701 H  HA   . HIS   A 105 ? 0.14286119 0.27458695 0.34330314 -0.02745520 0.02489486  -0.00790853 217 HIS   A HA   
1702 H  HB2  . HIS   A 105 ? 0.15023267 0.28599301 0.35218519 -0.03617284 0.02096357  -0.00728736 217 HIS   A HB2  
1703 H  HB3  . HIS   A 105 ? 0.15026337 0.28658536 0.35196108 -0.03642389 0.02122832  -0.00756040 217 HIS   A HB3  
1704 H  HD1  . HIS   A 105 ? 0.31903505 0.31903505 0.31903505 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1705 H  HD2  . HIS   A 105 ? 0.16882528 0.31124038 0.36469728 -0.04675815 0.01554110  -0.00909632 217 HIS   A HD2  
1706 H  HE1  . HIS   A 105 ? 0.17778124 0.31710738 0.37172025 -0.04492250 0.00672886  -0.01436900 217 HIS   A HE1  
1707 H  HE2  . HIS   A 105 ? 0.29143769 0.29143769 0.29143769 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1708 N  N    . LEU   A 106 ? 0.11415417 0.25937641 0.33797002 -0.01277147 0.02783993  -0.01716942 218 LEU   A N    
1709 C  CA   . LEU   A 106 ? 0.12180801 0.25536367 0.33727831 -0.01136440 0.02228676  -0.01709649 218 LEU   A CA   
1710 C  C    . LEU   A 106 ? 0.11220659 0.25221696 0.33751631 -0.01091198 0.02298930  -0.01493860 218 LEU   A C    
1711 O  O    . LEU   A 106 ? 0.12050813 0.27024025 0.34890804 0.00067247  0.02170154  -0.01536394 218 LEU   A O    
1712 C  CB   . LEU   A 106 ? 0.12814112 0.24978815 0.34080520 -0.01026834 0.02262697  -0.01546080 218 LEU   A CB   
1713 C  CG   . LEU   A 106 ? 0.13404588 0.24917723 0.34580910 -0.00288812 0.02037827  -0.01810629 218 LEU   A CG   
1714 C  CD1  . LEU   A 106 ? 0.14385915 0.25024617 0.35157850 -0.00239161 0.02116510  -0.01831606 218 LEU   A CD1  
1715 C  CD2  . LEU   A 106 ? 0.13424163 0.24961224 0.34528491 -0.00465467 0.02202265  -0.02193988 218 LEU   A CD2  
1716 H  H    . LEU   A 106 ? 0.12076360 0.26012605 0.33751464 -0.01330091 0.02647775  -0.01772834 218 LEU   A H    
1717 H  HA   . LEU   A 106 ? 0.12020855 0.25485167 0.33824655 -0.01125455 0.02354259  -0.01648710 218 LEU   A HA   
1718 H  HB2  . LEU   A 106 ? 0.12803470 0.25089315 0.34116226 -0.00886365 0.02208186  -0.01634836 218 LEU   A HB2  
1719 H  HB3  . LEU   A 106 ? 0.12790802 0.25057730 0.34118873 -0.00898959 0.02188746  -0.01614629 218 LEU   A HB3  
1720 H  HG   . LEU   A 106 ? 0.13447857 0.24956937 0.34565783 -0.00458244 0.02115387  -0.01838675 218 LEU   A HG   
1721 H  HD11 . LEU   A 106 ? 0.14194417 0.25031525 0.35023302 -0.00209516 0.02046683  -0.01851790 218 LEU   A HD11 
1722 H  HD12 . LEU   A 106 ? 0.14128743 0.25030321 0.35015050 -0.00247379 0.02099472  -0.01844254 218 LEU   A HD12 
1723 H  HD13 . LEU   A 106 ? 0.14178613 0.25014576 0.35056031 -0.00222826 0.02146101  -0.01813192 218 LEU   A HD13 
1724 H  HD21 . LEU   A 106 ? 0.13413414 0.24932611 0.34521633 -0.00405557 0.02167772  -0.02113907 218 LEU   A HD21 
1725 H  HD22 . LEU   A 106 ? 0.13414675 0.24952738 0.34539160 -0.00416099 0.02155980  -0.02094751 218 LEU   A HD22 
1726 H  HD23 . LEU   A 106 ? 0.13423452 0.24988753 0.34553850 -0.00429223 0.02166941  -0.02115200 218 LEU   A HD23 
1727 N  N    . LEU   A 107 ? 0.09579176 0.24958715 0.33293134 -0.01370042 0.01406243  -0.01454290 219 LEU   A N    
1728 C  CA   . LEU   A 107 ? 0.09826420 0.25095734 0.33735195 -0.01579157 0.01163586  -0.01265047 219 LEU   A CA   
1729 C  C    . LEU   A 107 ? 0.10920706 0.24293183 0.34047425 -0.01538707 0.01241649  -0.00756244 219 LEU   A C    
1730 O  O    . LEU   A 107 ? 0.11592085 0.22765434 0.34576583 -0.00906911 0.01817874  -0.00643827 219 LEU   A O    
1731 C  CB   . LEU   A 107 ? 0.10188608 0.25282720 0.33601129 -0.01727687 0.01237630  -0.01187821 219 LEU   A CB   
1732 C  CG   . LEU   A 107 ? 0.10024200 0.25964358 0.33986047 -0.02112833 0.01074055  -0.00955623 219 LEU   A CG   
1733 C  CD1  . LEU   A 107 ? 0.09338326 0.26229399 0.34061560 -0.02050650 0.01597890  -0.00884032 219 LEU   A CD1  
1734 C  CD2  . LEU   A 107 ? 0.10048286 0.26333049 0.34218276 -0.01660134 0.00947267  -0.00839022 219 LEU   A CD2  
1735 H  H    . LEU   A 107 ? 0.09818812 0.25006354 0.33500960 -0.01241011 0.01604718  -0.01435524 219 LEU   A H    
1736 H  HA   . LEU   A 107 ? 0.10025416 0.24959731 0.33672646 -0.01550870 0.01279696  -0.01191081 219 LEU   A HA   
1737 H  HB2  . LEU   A 107 ? 0.10110683 0.25374681 0.33735090 -0.01765079 0.01209028  -0.01150919 219 LEU   A HB2  
1738 H  HB3  . LEU   A 107 ? 0.10084049 0.25346392 0.33711046 -0.01748240 0.01205427  -0.01187189 219 LEU   A HB3  
1739 H  HG   . LEU   A 107 ? 0.09930855 0.25948155 0.33967409 -0.01942972 0.01181446  -0.00966622 219 LEU   A HG   
1740 H  HD11 . LEU   A 107 ? 0.09536414 0.26160702 0.34033364 -0.02074623 0.01465509  -0.00910335 219 LEU   A HD11 
1741 H  HD12 . LEU   A 107 ? 0.09438108 0.26139751 0.33982581 -0.02106176 0.01522688  -0.00878785 219 LEU   A HD12 
1742 H  HD13 . LEU   A 107 ? 0.09521349 0.26150647 0.34027550 -0.02077349 0.01463727  -0.00901114 219 LEU   A HD13 
1743 H  HD21 . LEU   A 107 ? 0.10042055 0.26222423 0.34183973 -0.01788213 0.00974117  -0.00846186 219 LEU   A HD21 
1744 H  HD22 . LEU   A 107 ? 0.10026015 0.26207981 0.34150195 -0.01786060 0.00962240  -0.00866203 219 LEU   A HD22 
1745 H  HD23 . LEU   A 107 ? 0.10060177 0.26150811 0.34160545 -0.01774840 0.00939024  -0.00874001 219 LEU   A HD23 
1746 N  N    A GLN   A 108 ? 0.11572419 0.23988062 0.33941072 -0.01715593 0.01192385  -0.00721490 220 GLN   A N    
1747 N  N    B GLN   A 108 ? 0.11510915 0.24390924 0.34074798 -0.01550157 0.01299785  -0.00872302 220 GLN   A N    
1748 C  CA   A GLN   A 108 ? 0.13307640 0.24145280 0.34254372 -0.01891336 0.00993760  -0.00726688 220 GLN   A CA   
1749 C  CA   B GLN   A 108 ? 0.13350803 0.24871781 0.34498686 -0.01528990 0.01280839  -0.00992520 220 GLN   A CA   
1750 C  C    A GLN   A 108 ? 0.11895235 0.23197500 0.33997777 -0.02045826 0.00970574  -0.00821353 220 GLN   A C    
1751 C  C    B GLN   A 108 ? 0.11944289 0.23758399 0.34273905 -0.01547933 0.01160731  -0.00851709 220 GLN   A C    
1752 O  O    A GLN   A 108 ? 0.12838945 0.23384428 0.34334850 -0.01702377 0.00882059  -0.01002301 220 GLN   A O    
1753 O  O    B GLN   A 108 ? 0.12642792 0.24896371 0.34665141 -0.00581751 0.01145951  -0.00794015 220 GLN   A O    
1754 C  CB   A GLN   A 108 ? 0.15865469 0.24527319 0.34939876 -0.02100968 0.01133755  -0.00199458 220 GLN   A CB   
1755 C  CB   B GLN   A 108 ? 0.16338634 0.25531545 0.35438442 -0.01691349 0.01757222  -0.00668512 220 GLN   A CB   
1756 C  CG   A GLN   A 108 ? 0.17428567 0.25310814 0.35416448 -0.02014027 0.00734078  0.00125461  220 GLN   A CG   
1757 C  CG   B GLN   A 108 ? 0.16872081 0.27009290 0.36226690 -0.01519471 0.01717853  -0.00669412 220 GLN   A CG   
1758 C  CD   A GLN   A 108 ? 0.19962241 0.26279050 0.35808569 -0.02089433 0.01172143  0.00802449  220 GLN   A CD   
1759 C  CD   B GLN   A 108 ? 0.19376461 0.27495739 0.37080824 -0.01443501 0.02065964  -0.00488593 220 GLN   A CD   
1760 O  OE1  A GLN   A 108 ? 0.22940663 0.26824632 0.36519095 -0.01711215 0.00933933  0.01478562  220 GLN   A OE1  
1761 O  OE1  B GLN   A 108 ? 0.20643033 0.28212565 0.37291747 -0.00416357 0.02524805  -0.00722347 220 GLN   A OE1  
1762 N  NE2  A GLN   A 108 ? 0.20458739 0.26788789 0.35842764 -0.02336807 0.01068308  0.00799961  220 GLN   A NE2  
1763 N  NE2  B GLN   A 108 ? 0.19838354 0.28845826 0.38103220 -0.01481193 0.02253463  -0.00398878 220 GLN   A NE2  
1764 H  H    A GLN   A 108 ? 0.11653285 0.24085096 0.34027508 -0.01656632 0.01178447  -0.00746414 220 GLN   A H    
1765 H  H    B GLN   A 108 ? 0.11612559 0.24449763 0.34150705 -0.01484152 0.01293582  -0.00882075 220 GLN   A H    
1766 H  HA   A GLN   A 108 ? 0.13233344 0.23953997 0.34263048 -0.01949055 0.01030458  -0.00652954 220 GLN   A HA   
1767 H  HA   B GLN   A 108 ? 0.13287382 0.24586990 0.34518597 -0.01591615 0.01302090  -0.00880726 220 GLN   A HA   
1768 H  HB2  A GLN   A 108 ? 0.15675375 0.24615286 0.34894896 -0.02069035 0.00969589  -0.00233940 220 GLN   A HB2  
1769 H  HB2  B GLN   A 108 ? 0.15710528 0.25708890 0.35388511 -0.01630687 0.01627976  -0.00729760 220 GLN   A HB2  
1770 H  HB3  A GLN   A 108 ? 0.15588881 0.24618174 0.34900856 -0.02034169 0.01010838  -0.00229720 220 GLN   A HB3  
1771 H  HB3  B GLN   A 108 ? 0.15705681 0.25683600 0.35425043 -0.01618207 0.01644074  -0.00745755 220 GLN   A HB3  
1772 H  HG2  A GLN   A 108 ? 0.17578350 0.25311053 0.35390803 -0.02060090 0.00928915  0.00188812  220 GLN   A HG2  
1773 H  HG2  B GLN   A 108 ? 0.17295770 0.26800290 0.36226252 -0.01547479 0.01796671  -0.00611136 220 GLN   A HG2  
1774 H  HG3  A GLN   A 108 ? 0.17559086 0.25327393 0.35364780 -0.02101308 0.00896661  0.00147340  220 GLN   A HG3  
1775 H  HG3  B GLN   A 108 ? 0.17369884 0.26909035 0.36238122 -0.01521404 0.01794567  -0.00588016 220 GLN   A HG3  
1776 H  HE21 A GLN   A 108 ? 0.20313287 0.26642263 0.35859537 -0.02260943 0.01104949  0.00782891  220 GLN   A HE21 
1777 H  HE21 B GLN   A 108 ? 0.19758256 0.28564677 0.37812370 -0.01532271 0.02230451  -0.00500534 220 GLN   A HE21 
1778 H  HE22 A GLN   A 108 ? 0.20328467 0.26647672 0.35854551 -0.02242244 0.01082822  0.00781257  220 GLN   A HE22 
1779 H  HE22 B GLN   A 108 ? 0.19749421 0.28578153 0.37804145 -0.01409066 0.02174332  -0.00494515 220 GLN   A HE22 
1780 N  N    . TYR   A 109 ? 0.11202279 0.22203887 0.33601335 -0.02117026 0.00738218  -0.00870685 221 TYR   A N    
1781 C  CA   . TYR   A 109 ? 0.10121310 0.20984854 0.33544478 -0.02460248 0.00871967  -0.00673470 221 TYR   A CA   
1782 C  C    . TYR   A 109 ? 0.10715447 0.21033691 0.33665445 -0.02404887 0.00331929  -0.00709846 221 TYR   A C    
1783 O  O    . TYR   A 109 ? 0.11417008 0.19688921 0.33654973 -0.02070219 0.00577179  -0.00622285 221 TYR   A O    
1784 C  CB   . TYR   A 109 ? 0.10304911 0.19917046 0.33032426 -0.02527426 0.00803278  -0.01000056 221 TYR   A CB   
1785 C  CG   . TYR   A 109 ? 0.10641166 0.19667609 0.32684714 -0.02831426 0.01212039  -0.01145518 221 TYR   A CG   
1786 C  CD1  . TYR   A 109 ? 0.10335639 0.19657449 0.32474193 -0.02797966 0.01395900  -0.01417652 221 TYR   A CD1  
1787 C  CD2  . TYR   A 109 ? 0.10383654 0.19684511 0.32882798 -0.02537265 0.01463891  -0.01183245 221 TYR   A CD2  
1788 C  CE1  . TYR   A 109 ? 0.10071918 0.19340208 0.32502204 -0.03030680 0.01290396  -0.01331487 221 TYR   A CE1  
1789 C  CE2  . TYR   A 109 ? 0.10519350 0.20168449 0.32858852 -0.02560820 0.01600426  -0.01463138 221 TYR   A CE2  
1790 C  CZ   . TYR   A 109 ? 0.09993103 0.20013428 0.32693735 -0.02848284 0.01398259  -0.01254648 221 TYR   A CZ   
1791 O  OH   . TYR   A 109 ? 0.10300510 0.20430972 0.32867649 -0.02561138 0.01015441  -0.01200883 221 TYR   A OH   
1792 H  H    . TYR   A 109 ? 0.11246950 0.22422066 0.33794281 -0.02019395 0.00881527  -0.00812299 221 TYR   A H    
1793 H  HA   . TYR   A 109 ? 0.10379663 0.21064249 0.33528388 -0.02293619 0.00732421  -0.00772814 221 TYR   A HA   
1794 H  HB2  . TYR   A 109 ? 0.10329618 0.20038684 0.33030590 -0.02586561 0.00903676  -0.01001638 221 TYR   A HB2  
1795 H  HB3  . TYR   A 109 ? 0.10289828 0.20058402 0.33059922 -0.02545601 0.00914531  -0.00970224 221 TYR   A HB3  
1796 H  HD1  . TYR   A 109 ? 0.10335235 0.19576146 0.32488587 -0.02845442 0.01342997  -0.01360172 221 TYR   A HD1  
1797 H  HD2  . TYR   A 109 ? 0.10441792 0.19711030 0.32827011 -0.02568171 0.01429348  -0.01235561 221 TYR   A HD2  
1798 H  HE1  . TYR   A 109 ? 0.10107990 0.19526589 0.32545930 -0.02897991 0.01336464  -0.01328338 221 TYR   A HE1  
1799 H  HE2  . TYR   A 109 ? 0.10360081 0.20003210 0.32795414 -0.02621000 0.01520967  -0.01361109 221 TYR   A HE2  
1800 H  HH   . TYR   A 109 ? 0.21700464 0.21700464 0.21700464 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1801 N  N    . ASN   A 110 ? 0.10817885 0.21715185 0.34226310 -0.02896623 0.00190244  -0.00326215 222 ASN   A N    
1802 C  CA   . ASN   A 110 ? 0.12802766 0.21682256 0.34792650 -0.03416862 -0.00015821 0.00093840  222 ASN   A CA   
1803 C  C    . ASN   A 110 ? 0.12255634 0.20412299 0.33898857 -0.03858710 -0.00174493 0.00318894  222 ASN   A C    
1804 O  O    . ASN   A 110 ? 0.13897255 0.20575747 0.33393857 -0.03509815 0.00479783  0.00730638  222 ASN   A O    
1805 C  CB   . ASN   A 110 ? 0.12894116 0.25040489 0.36897337 -0.02430507 -0.00116399 0.00047505  222 ASN   A CB   
1806 C  CG   . ASN   A 110 ? 0.16050307 0.28524834 0.38531831 -0.02789336 0.00772628  0.00673118  222 ASN   A CG   
1807 O  OD1  . ASN   A 110 ? 0.17203604 0.33782884 0.42203829 -0.01813663 0.01220872  0.00601815  222 ASN   A OD1  
1808 N  ND2  . ASN   A 110 ? 0.16045761 0.29947293 0.39318851 -0.02733134 0.01011315  0.00814115  222 ASN   A ND2  
1809 H  H    . ASN   A 110 ? 0.11168069 0.21531081 0.34223509 -0.02827101 0.00204556  -0.00339909 222 ASN   A H    
1810 H  HA   . ASN   A 110 ? 0.12374794 0.21941847 0.34847671 -0.03235864 -0.00004274 0.00075404  222 ASN   A HA   
1811 H  HB2  . ASN   A 110 ? 0.13470618 0.24805133 0.36663577 -0.02736723 0.00095039  0.00203244  222 ASN   A HB2  
1812 H  HB3  . ASN   A 110 ? 0.13480124 0.24837960 0.36745900 -0.02726835 0.00109782  0.00215523  222 ASN   A HB3  
1813 H  HD21 . ASN   A 110 ? 0.16093740 0.29328650 0.38980234 -0.02889303 0.00891865  0.00787925  222 ASN   A HD21 
1814 H  HD22 . ASN   A 110 ? 0.16065553 0.29471901 0.39151806 -0.02790238 0.00903664  0.00812725  222 ASN   A HD22 
1815 N  N    . HIS   A 111 ? 0.12960254 0.19617413 0.32597438 -0.04702022 -0.00256745 0.00524285  223 HIS   A N    
1816 C  CA   . HIS   A 111 ? 0.13204758 0.19404712 0.32675448 -0.05253454 0.00044485  0.00373612  223 HIS   A CA   
1817 C  C    . HIS   A 111 ? 0.14075921 0.20319183 0.33093092 -0.05569357 -0.00376389 0.00511474  223 HIS   A C    
1818 O  O    . HIS   A 111 ? 0.15823592 0.21453549 0.34746504 -0.07403848 0.00176278  0.01344118  223 HIS   A O    
1819 C  CB   . HIS   A 111 ? 0.13501057 0.19377176 0.32067230 -0.05341535 0.00473394  0.00356063  223 HIS   A CB   
1820 C  CG   . HIS   A 111 ? 0.12847759 0.19038479 0.31846491 -0.05438692 0.00864451  0.00329252  223 HIS   A CG   
1821 N  ND1  . HIS   A 111 ? 0.13165429 0.18792145 0.31641701 -0.05451921 0.00716164  0.00191072  223 HIS   A ND1  
1822 C  CD2  . HIS   A 111 ? 0.13162334 0.19489123 0.32053933 -0.05284088 0.00746663  0.00340398  223 HIS   A CD2  
1823 C  CE1  . HIS   A 111 ? 0.13104069 0.18896003 0.31891027 -0.05511921 0.00503584  0.00317222  223 HIS   A CE1  
1824 N  NE2  . HIS   A 111 ? 0.13368548 0.19205530 0.31888238 -0.05534688 0.00574639  0.00235549  223 HIS   A NE2  
1825 H  H    . HIS   A 111 ? 0.12853403 0.19658126 0.32868013 -0.04634577 -0.00145700 0.00518929  223 HIS   A H    
1826 H  HA   . HIS   A 111 ? 0.13270225 0.19521502 0.32637861 -0.05303830 -0.00009270 0.00431189  223 HIS   A HA   
1827 H  HB2  . HIS   A 111 ? 0.13345404 0.19361348 0.32151353 -0.05284495 0.00461177  0.00342679  223 HIS   A HB2  
1828 H  HB3  . HIS   A 111 ? 0.13324536 0.19322057 0.32143214 -0.05327378 0.00472636  0.00346315  223 HIS   A HB3  
1829 H  HD1  . HIS   A 111 ? 0.20523871 0.20523871 0.20523871 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1830 H  HD2  . HIS   A 111 ? 0.13203959 0.19429415 0.31983340 -0.05300797 0.00736737  0.00304837  223 HIS   A HD2  
1831 H  HE1  . HIS   A 111 ? 0.13128920 0.18935570 0.31825244 -0.05525604 0.00551071  0.00259453  223 HIS   A HE1  
1832 H  HE2  . HIS   A 111 ? 0.21996827 0.21996827 0.21996827 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1833 N  N    . ARG   A 112 ? 0.13528131 0.20070381 0.33413818 -0.05275560 -0.00482145 0.00380986  224 ARG   A N    
1834 C  CA   . ARG   A 112 ? 0.13860349 0.20759021 0.33501223 -0.05017841 -0.00815027 0.00193952  224 ARG   A CA   
1835 C  C    . ARG   A 112 ? 0.15184018 0.20552444 0.33736452 -0.04773775 -0.00824375 0.00071757  224 ARG   A C    
1836 O  O    . ARG   A 112 ? 0.18029016 0.21547516 0.33134726 -0.03515419 -0.01452984 -0.00514967 224 ARG   A O    
1837 C  CB   . ARG   A 112 ? 0.12873156 0.21204646 0.33251557 -0.04200914 -0.00924949 0.00126294  224 ARG   A CB   
1838 C  CG   . ARG   A 112 ? 0.12144829 0.21737590 0.33557260 -0.03952374 -0.00740795 0.00047324  224 ARG   A CG   
1839 C  CD   . ARG   A 112 ? 0.11602116 0.22065143 0.33491150 -0.03598952 -0.00740001 -0.00007063 224 ARG   A CD   
1840 N  NE   . ARG   A 112 ? 0.11366295 0.22625013 0.33516616 -0.02706658 -0.00435748 0.00245428  224 ARG   A NE   
1841 C  CZ   . ARG   A 112 ? 0.11442823 0.22731499 0.33546102 -0.02180680 -0.00253976 0.00179229  224 ARG   A CZ   
1842 N  NH1  . ARG   A 112 ? 0.10336485 0.23376489 0.33434293 -0.01976202 0.00068097  0.00088358  224 ARG   A NH1  
1843 N  NH2  . ARG   A 112 ? 0.12606928 0.23111312 0.33715564 -0.01991723 -0.00097431 0.00301660  224 ARG   A NH2  
1844 H  H    . ARG   A 112 ? 0.13665064 0.20222743 0.33342493 -0.05339718 -0.00548847 0.00342297  224 ARG   A H    
1845 H  HA   . ARG   A 112 ? 0.13811092 0.20659293 0.33483940 -0.04913894 -0.00759867 0.00206444  224 ARG   A HA   
1846 H  HB2  . ARG   A 112 ? 0.12964736 0.21232547 0.33365238 -0.04308606 -0.00870309 0.00123404  224 ARG   A HB2  
1847 H  HB3  . ARG   A 112 ? 0.12915494 0.21224639 0.33313608 -0.04317532 -0.00897061 0.00133812  224 ARG   A HB3  
1848 H  HG2  . ARG   A 112 ? 0.12163483 0.21679178 0.33475554 -0.03945410 -0.00771212 0.00057428  224 ARG   A HG2  
1849 H  HG3  . ARG   A 112 ? 0.12202270 0.21680406 0.33498281 -0.03937438 -0.00760416 0.00055530  224 ARG   A HG3  
1850 H  HD2  . ARG   A 112 ? 0.11556739 0.22070998 0.33499902 -0.03409590 -0.00633146 0.00080510  224 ARG   A HD2  
1851 H  HD3  . ARG   A 112 ? 0.11614218 0.22109726 0.33477634 -0.03457762 -0.00695360 0.00067263  224 ARG   A HD3  
1852 H  HE   . ARG   A 112 ? 0.11458901 0.22515187 0.33508471 -0.02787139 -0.00457441 0.00179120  224 ARG   A HE   
1853 H  HH11 . ARG   A 112 ? 0.10710395 0.23289172 0.33471236 -0.02020820 -0.00032751 0.00125376  224 ARG   A HH11 
1854 H  HH12 . ARG   A 112 ? 0.10695998 0.23187453 0.33465034 -0.02054402 -0.00040008 0.00115223  224 ARG   A HH12 
1855 H  HH21 . ARG   A 112 ? 0.12207828 0.23067477 0.33663502 -0.02053794 -0.00144438 0.00259644  224 ARG   A HH21 
1856 H  HH22 . ARG   A 112 ? 0.12224559 0.23031341 0.33683005 -0.02051493 -0.00147582 0.00250065  224 ARG   A HH22 
1857 N  N    . VAL   A 113 ? 0.15353054 0.21056511 0.34349626 -0.04932446 -0.00145898 -0.00122667 225 VAL   A N    
1858 C  CA   . VAL   A 113 ? 0.16159217 0.20808382 0.34649384 -0.05089045 -0.00085788 -0.00408469 225 VAL   A CA   
1859 C  C    . VAL   A 113 ? 0.17738324 0.20984662 0.35340530 -0.04571438 0.00129093  -0.00289789 225 VAL   A C    
1860 O  O    . VAL   A 113 ? 0.20141919 0.19998685 0.34695673 -0.03922900 0.00241299  -0.00443851 225 VAL   A O    
1861 C  CB   . VAL   A 113 ? 0.16143711 0.20981470 0.35156292 -0.05013077 0.00328922  -0.00169565 225 VAL   A CB   
1862 C  CG1  . VAL   A 113 ? 0.16197515 0.21002351 0.35205871 -0.04711270 0.00060953  -0.00313369 225 VAL   A CG1  
1863 C  CG2  . VAL   A 113 ? 0.16108786 0.21645737 0.35400292 -0.04371658 0.00308985  -0.00031074 225 VAL   A CG2  
1864 H  H    . VAL   A 113 ? 0.15478195 0.20923179 0.34302363 -0.04901781 -0.00266580 -0.00080580 225 VAL   A H    
1865 H  HA   . VAL   A 113 ? 0.16273582 0.20925093 0.34712213 -0.04950321 -0.00037852 -0.00300540 225 VAL   A HA   
1866 H  HB   . VAL   A 113 ? 0.16153099 0.21073483 0.35150620 -0.04848982 0.00212398  -0.00204732 225 VAL   A HB   
1867 H  HG11 . VAL   A 113 ? 0.16196303 0.21000332 0.35175523 -0.04792063 0.00129752  -0.00278080 225 VAL   A HG11 
1868 H  HG12 . VAL   A 113 ? 0.16204815 0.20999832 0.35187623 -0.04788666 0.00134677  -0.00272555 225 VAL   A HG12 
1869 H  HG13 . VAL   A 113 ? 0.16249053 0.21023196 0.35190079 -0.04757426 0.00125357  -0.00279998 225 VAL   A HG13 
1870 H  HG21 . VAL   A 113 ? 0.16182420 0.21446800 0.35303199 -0.04457111 0.00298362  -0.00080719 225 VAL   A HG21 
1871 H  HG22 . VAL   A 113 ? 0.16130893 0.21443465 0.35322341 -0.04537654 0.00312549  -0.00073722 225 VAL   A HG22 
1872 H  HG23 . VAL   A 113 ? 0.16141528 0.21446820 0.35356900 -0.04533880 0.00328031  -0.00067221 225 VAL   A HG23 
1873 N  N    . LYS   A 114 ? 0.18306381 0.21285714 0.36565021 -0.05070231 0.00603592  -0.00531926 226 LYS   A N    
1874 C  CA   . LYS   A 114 ? 0.18733425 0.22082710 0.38568053 -0.05322176 0.01172291  0.00076963  226 LYS   A CA   
1875 C  C    . LYS   A 114 ? 0.19267499 0.21940640 0.39336491 -0.04780113 0.02447412  0.00601824  226 LYS   A C    
1876 O  O    . LYS   A 114 ? 0.18879072 0.22107424 0.41369462 -0.04797938 0.03210355  0.01441296  226 LYS   A O    
1877 C  CB   . LYS   A 114 ? 0.19323553 0.23696730 0.39644477 -0.06213019 0.01050325  -0.00193287 226 LYS   A CB   
1878 C  CG   . LYS   A 114 ? 0.19629534 0.25089344 0.40449926 -0.06252956 0.01145982  -0.00028373 226 LYS   A CG   
1879 C  CD   . LYS   A 114 ? 0.20039746 0.25769159 0.40755716 -0.06679032 0.01109511  -0.00053122 226 LYS   A CD   
1880 C  CE   . LYS   A 114 ? 0.19126420 0.27210775 0.40962121 -0.07607028 0.01178456  -0.00209269 226 LYS   A CE   
1881 N  NZ   . LYS   A 114 ? 0.18656646 0.28375253 0.41199556 -0.08209978 0.01096042  -0.00156438 226 LYS   A NZ   
1882 H  H    . LYS   A 114 ? 0.18240225 0.21393830 0.36668700 -0.05009552 0.00616214  -0.00328278 226 LYS   A H    
1883 H  HA   . LYS   A 114 ? 0.18849108 0.22164291 0.38492346 -0.05321511 0.01236259  -0.00000276 226 LYS   A HA   
1884 H  HB2  . LYS   A 114 ? 0.19254868 0.23627938 0.39603683 -0.06010411 0.01087926  -0.00092114 226 LYS   A HB2  
1885 H  HB3  . LYS   A 114 ? 0.19253176 0.23676550 0.39586794 -0.06002265 0.01094664  -0.00121090 226 LYS   A HB3  
1886 H  HG2  . LYS   A 114 ? 0.19651614 0.24943200 0.40335277 -0.06315155 0.01117217  -0.00104905 226 LYS   A HG2  
1887 H  HG3  . LYS   A 114 ? 0.19707677 0.24971355 0.40348256 -0.06275334 0.01151741  -0.00043545 226 LYS   A HG3  
1888 H  HD2  . LYS   A 114 ? 0.19738790 0.25914568 0.40704298 -0.06780749 0.01135039  -0.00045818 226 LYS   A HD2  
1889 H  HD3  . LYS   A 114 ? 0.19759460 0.25967950 0.40726584 -0.06747284 0.01151161  -0.00053758 226 LYS   A HD3  
1890 H  HE2  . LYS   A 114 ? 0.19222194 0.27173394 0.40988463 -0.07540158 0.01143525  -0.00184873 226 LYS   A HE2  
1891 H  HE3  . LYS   A 114 ? 0.19204879 0.27125818 0.40968376 -0.07559736 0.01132625  -0.00178917 226 LYS   A HE3  
1892 H  HZ1  . LYS   A 114 ? 0.18803500 0.28032225 0.41138759 -0.08022569 0.01123674  -0.00185684 226 LYS   A HZ1  
1893 H  HZ2  . LYS   A 114 ? 0.18802911 0.28083026 0.41177741 -0.08026212 0.01127379  -0.00231059 226 LYS   A HZ2  
1894 H  HZ3  . LYS   A 114 ? 0.18803969 0.28031388 0.41138580 -0.08023552 0.01123456  -0.00186089 226 LYS   A HZ3  
1895 N  N    . LYS   A 115 ? 0.19594316 0.20701373 0.39744714 -0.04354958 0.03051929  0.00267898  227 LYS   A N    
1896 C  CA   . LYS   A 115 ? 0.19609562 0.20636778 0.39743188 -0.04321451 0.03563099  -0.00125756 227 LYS   A CA   
1897 C  C    . LYS   A 115 ? 0.18168145 0.17368101 0.38538024 -0.03296951 0.04363734  -0.00336673 227 LYS   A C    
1898 O  O    . LYS   A 115 ? 0.17317724 0.18121791 0.37679031 -0.02356433 0.05375673  0.00187839  227 LYS   A O    
1899 C  CB   . LYS   A 115 ? 0.22863014 0.23514146 0.40645790 -0.04634381 0.03157093  -0.00208195 227 LYS   A CB   
1900 C  CG   . LYS   A 115 ? 0.24680382 0.26222575 0.41908410 -0.05242848 0.02493551  -0.00557315 227 LYS   A CG   
1901 C  CD   . LYS   A 115 ? 0.26087591 0.28396061 0.42858303 -0.05677452 0.02802268  -0.00541085 227 LYS   A CD   
1902 C  CE   . LYS   A 115 ? 0.27625027 0.29462507 0.43930426 -0.06153615 0.02544161  -0.00984552 227 LYS   A CE   
1903 N  NZ   . LYS   A 115 ? 0.28621161 0.30773431 0.44649869 -0.06477301 0.02625830  -0.00754318 227 LYS   A NZ   
1904 H  H    . LYS   A 115 ? 0.19525622 0.20959884 0.39563861 -0.04443011 0.02958215  0.00289226  227 LYS   A H    
1905 H  HA   . LYS   A 115 ? 0.19816670 0.20544752 0.39644212 -0.04157094 0.03553612  -0.00113577 227 LYS   A HA   
1906 H  HB2  . LYS   A 115 ? 0.22435649 0.23417823 0.40671590 -0.04700793 0.03113396  -0.00275982 227 LYS   A HB2  
1907 H  HB3  . LYS   A 115 ? 0.22616240 0.23314112 0.40651309 -0.04743204 0.03100357  -0.00250179 227 LYS   A HB3  
1908 H  HG2  . LYS   A 115 ? 0.24548292 0.26155314 0.41802466 -0.05199015 0.02721763  -0.00503391 227 LYS   A HG2  
1909 H  HG3  . LYS   A 115 ? 0.24654776 0.26045480 0.41797063 -0.05229511 0.02707413  -0.00469392 227 LYS   A HG3  
1910 H  HD2  . LYS   A 115 ? 0.26066396 0.28201383 0.42831501 -0.05703096 0.02654386  -0.00696653 227 LYS   A HD2  
1911 H  HD3  . LYS   A 115 ? 0.26077446 0.28086871 0.42837852 -0.05669607 0.02670988  -0.00664982 227 LYS   A HD3  
1912 H  HE2  . LYS   A 115 ? 0.27512479 0.29516137 0.43834883 -0.06115580 0.02611406  -0.00830987 227 LYS   A HE2  
1913 H  HE3  . LYS   A 115 ? 0.27634561 0.29483914 0.43835580 -0.06083630 0.02550502  -0.00846692 227 LYS   A HE3  
1914 H  HZ1  . LYS   A 115 ? 0.28483674 0.30425423 0.44454154 -0.06371175 0.02558905  -0.00817233 227 LYS   A HZ1  
1915 H  HZ2  . LYS   A 115 ? 0.28391096 0.30576807 0.44430739 -0.06459276 0.02611362  -0.00829279 227 LYS   A HZ2  
1916 H  HZ3  . LYS   A 115 ? 0.28401923 0.30496764 0.44485733 -0.06326550 0.02646577  -0.00755201 227 LYS   A HZ3  
1917 N  N    . LEU   A 116 ? 0.17822266 0.15645823 0.38151696 -0.02440993 0.05016449  -0.00776270 228 LEU   A N    
1918 C  CA   . LEU   A 116 ? 0.16829416 0.16073947 0.37651008 -0.01195657 0.04944943  -0.00531809 228 LEU   A CA   
1919 C  C    . LEU   A 116 ? 0.17321843 0.15838704 0.38321936 -0.00785233 0.05194404  -0.00471445 228 LEU   A C    
1920 O  O    . LEU   A 116 ? 0.15448159 0.16082780 0.38687232 0.00022450  0.05131348  -0.00175445 228 LEU   A O    
1921 C  CB   . LEU   A 116 ? 0.15903670 0.17886321 0.36806598 -0.01060389 0.05014268  -0.01783998 228 LEU   A CB   
1922 C  CG   . LEU   A 116 ? 0.15509462 0.18893683 0.36785594 -0.01079967 0.04830868  -0.01320883 228 LEU   A CG   
1923 C  CD1  . LEU   A 116 ? 0.14879999 0.19712402 0.36406869 -0.01140435 0.04824253  -0.01121335 228 LEU   A CD1  
1924 C  CD2  . LEU   A 116 ? 0.16372313 0.19141963 0.36669469 -0.00425946 0.04878952  -0.01598344 228 LEU   A CD2  
1925 H  H    . LEU   A 116 ? 0.17556965 0.16161579 0.38109317 -0.02472807 0.04867303  -0.00580679 228 LEU   A H    
1926 H  HA   . LEU   A 116 ? 0.16909434 0.16166219 0.37676087 -0.01298929 0.04991025  -0.00820626 228 LEU   A HA   
1927 H  HB2  . LEU   A 116 ? 0.16009924 0.17761822 0.36986795 -0.01102367 0.04944298  -0.01381691 228 LEU   A HB2  
1928 H  HB3  . LEU   A 116 ? 0.15945199 0.17714708 0.36958516 -0.01104045 0.04893040  -0.01368963 228 LEU   A HB3  
1929 H  HG   . LEU   A 116 ? 0.15607649 0.18875460 0.36692229 -0.00992285 0.04852220  -0.01427993 228 LEU   A HG   
1930 H  HD11 . LEU   A 116 ? 0.15045415 0.19629173 0.36511943 -0.01147583 0.04830774  -0.01173595 228 LEU   A HD11 
1931 H  HD12 . LEU   A 116 ? 0.14977080 0.19502531 0.36494195 -0.01114496 0.04865112  -0.01188760 228 LEU   A HD12 
1932 H  HD13 . LEU   A 116 ? 0.15027907 0.19489574 0.36503595 -0.01138274 0.04818773  -0.01190826 228 LEU   A HD13 
1933 H  HD21 . LEU   A 116 ? 0.16154893 0.19039622 0.36736366 -0.00618400 0.04871470  -0.01498195 228 LEU   A HD21 
1934 H  HD22 . LEU   A 116 ? 0.16213143 0.19095805 0.36747465 -0.00568704 0.04910912  -0.01476827 228 LEU   A HD22 
1935 H  HD23 . LEU   A 116 ? 0.16190898 0.19068334 0.36737481 -0.00618514 0.04843832  -0.01499960 228 LEU   A HD23 
1936 N  N    . ASN   A 117 ? 0.19316842 0.14972664 0.39394099 -0.01263852 0.05084995  -0.00350601 229 ASN   A N    
1937 C  CA   . ASN   A 117 ? 0.20853551 0.16675267 0.40334076 -0.00354521 0.05298959  -0.01067426 229 ASN   A CA   
1938 C  C    . ASN   A 117 ? 0.20490597 0.16539676 0.39435536 -0.00120444 0.04999045  -0.00879689 229 ASN   A C    
1939 O  O    . ASN   A 117 ? 0.20953491 0.17991646 0.40123832 0.00027948  0.06137028  0.00385317  229 ASN   A O    
1940 C  CB   . ASN   A 117 ? 0.24941142 0.17130136 0.42569542 0.00301422  0.05077102  -0.01543392 229 ASN   A CB   
1941 C  CG   . ASN   A 117 ? 0.28742230 0.17879562 0.44559681 -0.00285364 0.03989571  -0.02610070 229 ASN   A CG   
1942 O  OD1  . ASN   A 117 ? 0.34029174 0.16795008 0.46294761 -0.00923888 0.01927333  -0.02463463 229 ASN   A OD1  
1943 N  ND2  . ASN   A 117 ? 0.31994376 0.19115755 0.46546355 0.00822454  0.03714829  -0.03414427 229 ASN   A ND2  
1944 H  H    . ASN   A 117 ? 0.19028863 0.15496688 0.39310777 -0.01067266 0.05098727  -0.00582771 229 ASN   A H    
1945 H  HA   . ASN   A 117 ? 0.20990890 0.16427422 0.40323579 -0.00322197 0.05158314  -0.00910672 229 ASN   A HA   
1946 H  HB2  . ASN   A 117 ? 0.24724174 0.17182773 0.42406985 0.00005096  0.04899740  -0.01642652 229 ASN   A HB2  
1947 H  HB3  . ASN   A 117 ? 0.24696292 0.17177278 0.42421156 0.00017030  0.04896111  -0.01657303 229 ASN   A HB3  
1948 H  HD21 . ASN   A 117 ? 0.31044644 0.18805601 0.45973632 0.00337967  0.03957375  -0.03206854 229 ASN   A HD21 
1949 H  HD22 . ASN   A 117 ? 0.31038779 0.18756291 0.46097341 0.00480976  0.03944025  -0.03072772 229 ASN   A HD22 
1950 N  N    . GLU   A 118 ? 0.19780667 0.16465087 0.37813807 -0.00747442 0.04103427  -0.00945450 230 GLU   A N    
1951 C  CA   . GLU   A 118 ? 0.18144000 0.16259664 0.36731860 -0.00940397 0.03202380  -0.01454955 230 GLU   A CA   
1952 C  C    . GLU   A 118 ? 0.14985798 0.15831944 0.35030365 -0.00459362 0.02150293  -0.00972315 230 GLU   A C    
1953 O  O    . GLU   A 118 ? 0.12444070 0.15815464 0.34532601 -0.00366520 0.01483749  -0.00614753 230 GLU   A O    
1954 C  CB   . GLU   A 118 ? 0.19938017 0.17638952 0.37235141 -0.01486560 0.02841736  -0.01774678 230 GLU   A CB   
1955 C  CG   . GLU   A 118 ? 0.23023261 0.18566184 0.38245708 -0.01851378 0.03008956  -0.02397980 230 GLU   A CG   
1956 C  CD   . GLU   A 118 ? 0.25110683 0.20874979 0.38910183 -0.02937963 0.02959551  -0.03090282 230 GLU   A CD   
1957 O  OE1  . GLU   A 118 ? 0.26108611 0.22873259 0.38687649 -0.03372842 0.02018904  -0.02966762 230 GLU   A OE1  
1958 O  OE2  . GLU   A 118 ? 0.29858488 0.22923186 0.40241045 -0.03187151 0.03890885  -0.04205035 230 GLU   A OE2  
1959 H  H    . GLU   A 118 ? 0.19631657 0.16411403 0.37927040 -0.00677597 0.04031178  -0.01028081 230 GLU   A H    
1960 H  HA   . GLU   A 118 ? 0.18092839 0.16451250 0.36678448 -0.00889252 0.03132258  -0.01309357 230 GLU   A HA   
1961 H  HB2  . GLU   A 118 ? 0.20088920 0.17495391 0.37311953 -0.01423302 0.02974875  -0.01832522 230 GLU   A HB2  
1962 H  HB3  . GLU   A 118 ? 0.20070983 0.17499259 0.37293911 -0.01425698 0.02946975  -0.01825716 230 GLU   A HB3  
1963 H  HG2  . GLU   A 118 ? 0.22808613 0.18835151 0.38140473 -0.02024468 0.02939447  -0.02389847 230 GLU   A HG2  
1964 H  HG3  . GLU   A 118 ? 0.22723846 0.18833235 0.38141277 -0.01997660 0.02952735  -0.02398372 230 GLU   A HG3  
1965 N  N    . ILE   A 119 ? 0.13670821 0.15013993 0.34341863 0.00122380  0.01784017  -0.01126390 231 ILE   A N    
1966 C  CA   . ILE   A 119 ? 0.13161854 0.14582321 0.34174544 0.01051214  0.01524789  -0.01147699 231 ILE   A CA   
1967 C  C    . ILE   A 119 ? 0.13342148 0.15339804 0.34251812 0.02481400  0.01021345  -0.01011571 231 ILE   A C    
1968 O  O    . ILE   A 119 ? 0.14319076 0.16871774 0.34627536 0.03949691  0.01325132  -0.00370750 231 ILE   A O    
1969 C  CB   . ILE   A 119 ? 0.13030978 0.14977406 0.34062907 0.00870663  0.01371167  -0.01129588 231 ILE   A CB   
1970 C  CG1  . ILE   A 119 ? 0.13074815 0.14625993 0.34020582 0.00899493  0.01256373  -0.01070028 231 ILE   A CG1  
1971 C  CG2  . ILE   A 119 ? 0.11928171 0.14948685 0.34007251 0.01335613  0.01291553  -0.01125542 231 ILE   A CG2  
1972 C  CD1  . ILE   A 119 ? 0.13739756 0.14949855 0.34104791 0.00441190  0.01359316  -0.00945055 231 ILE   A CD1  
1973 H  H    . ILE   A 119 ? 0.13940129 0.15075205 0.34497097 0.00170207  0.01870437  -0.01061423 231 ILE   A H    
1974 H  HA   . ILE   A 119 ? 0.13268822 0.14860748 0.34180498 0.01095418  0.01435946  -0.01085725 231 ILE   A HA   
1975 H  HB   . ILE   A 119 ? 0.12862498 0.14874503 0.34094697 0.01002808  0.01370734  -0.01147342 231 ILE   A HB   
1976 H  HG12 . ILE   A 119 ? 0.13215496 0.14728603 0.34018487 0.00796060  0.01299029  -0.01027021 231 ILE   A HG12 
1977 H  HG13 . ILE   A 119 ? 0.13235475 0.14720438 0.34038782 0.00764409  0.01323333  -0.01081336 231 ILE   A HG13 
1978 H  HG21 . ILE   A 119 ? 0.12195970 0.14955351 0.33975816 0.01198981  0.01331797  -0.01125615 231 ILE   A HG21 
1979 H  HG22 . ILE   A 119 ? 0.12203296 0.14944297 0.33997500 0.01205345  0.01303480  -0.01114273 231 ILE   A HG22 
1980 H  HG23 . ILE   A 119 ? 0.12077224 0.14963549 0.33990645 0.01210167  0.01254020  -0.01124002 231 ILE   A HG23 
1981 H  HD11 . ILE   A 119 ? 0.13569538 0.14893186 0.34117052 0.00566174  0.01362870  -0.00988878 231 ILE   A HD11 
1982 H  HD12 . ILE   A 119 ? 0.13616757 0.14877591 0.34101728 0.00592070  0.01367607  -0.00972439 231 ILE   A HD12 
1983 H  HD13 . ILE   A 119 ? 0.13521211 0.14925933 0.34091848 0.00582796  0.01336986  -0.00956910 231 ILE   A HD13 
1984 N  N    . SER   A 120 ? 0.11942639 0.14558424 0.34983221 0.02710559  0.00689055  -0.00944204 232 SER   A N    
1985 C  CA   . SER   A 120 ? 0.11684974 0.16069597 0.35846308 0.02677052  0.00410775  -0.01642468 232 SER   A CA   
1986 C  C    . SER   A 120 ? 0.11400997 0.16413470 0.36454841 0.02451372  0.00440421  -0.01999539 232 SER   A C    
1987 O  O    . SER   A 120 ? 0.11564562 0.17174810 0.36914602 0.03614974  0.00940254  -0.02187257 232 SER   A O    
1988 C  CB   . SER   A 120 ? 0.12692417 0.17017449 0.36412150 0.02980678  0.00252415  -0.02083666 232 SER   A CB   
1989 O  OG   . SER   A 120 ? 0.13914065 0.18153019 0.37719852 0.02926591  0.00041773  -0.02622063 232 SER   A OG   
1990 H  H    . SER   A 120 ? 0.12192393 0.15022534 0.34886935 0.02658695  0.00663308  -0.01039197 232 SER   A H    
1991 H  HA   . SER   A 120 ? 0.11902957 0.16053030 0.35877070 0.02742658  0.00439708  -0.01656236 232 SER   A HA   
1992 H  HB2  . SER   A 120 ? 0.12710503 0.17018254 0.36535132 0.02904510  0.00239301  -0.02073990 232 SER   A HB2  
1993 H  HB3  . SER   A 120 ? 0.12669353 0.17034480 0.36560759 0.02914201  0.00243055  -0.02094610 232 SER   A HB3  
1994 H  HG   . SER   A 120 ? 0.25132719 0.25132719 0.25132719 0.00000000  0.00000000  0.00000000  232 SER   A HG   
1995 N  N    . LYS   A 121 ? 0.10571133 0.16552567 0.36566079 0.02017454  0.00540676  -0.02206357 233 LYS   A N    
1996 C  CA   . LYS   A 121 ? 0.10148349 0.17972478 0.36504248 0.01269169  -0.00182993 -0.02619866 233 LYS   A CA   
1997 C  C    . LYS   A 121 ? 0.08025862 0.17209528 0.36359453 0.01119210  -0.00363381 -0.02691286 233 LYS   A C    
1998 O  O    . LYS   A 121 ? 0.07760336 0.16300544 0.35548234 0.00883341  -0.00779666 -0.03007082 233 LYS   A O    
1999 C  CB   . LYS   A 121 ? 0.11978518 0.19509932 0.37595099 0.00032088  -0.00393596 -0.02253267 233 LYS   A CB   
2000 C  CG   . LYS   A 121 ? 0.13363825 0.21165211 0.38244441 0.00324219  -0.00197205 -0.01939684 233 LYS   A CG   
2001 C  CD   . LYS   A 121 ? 0.15468636 0.22132714 0.39304501 -0.00296602 -0.01015349 -0.00887383 233 LYS   A CD   
2002 H  H    . LYS   A 121 ? 0.10577285 0.16812098 0.36496183 0.01966789  0.00358308  -0.02228528 233 LYS   A H    
2003 H  HA   . LYS   A 121 ? 0.10084138 0.17789245 0.36664620 0.01206369  -0.00113514 -0.02489028 233 LYS   A HA   
2004 H  HB2  . LYS   A 121 ? 0.11868247 0.19460204 0.37479621 0.00388925  -0.00270099 -0.02279815 233 LYS   A HB2  
2005 H  HB3  . LYS   A 121 ? 0.11830199 0.19419807 0.37479916 0.00379687  -0.00303089 -0.02299394 233 LYS   A HB3  
2006 H  HG2  . LYS   A 121 ? 0.13494770 0.20962113 0.38316080 0.00127548  -0.00386735 -0.01784303 233 LYS   A HG2  
2007 H  HG3  . LYS   A 121 ? 0.13450448 0.21016453 0.38304603 0.00186108  -0.00387619 -0.01746211 233 LYS   A HG3  
2008 H  HD2  . LYS   A 121 ? 0.14994252 0.21834522 0.39041716 -0.00131822 -0.00651731 -0.01224916 233 LYS   A HD2  
2009 H  HD3  . LYS   A 121 ? 0.31546348 0.31546348 0.31546348 0.00000000  0.00000000  0.00000000  233 LYS   A HD3  
2010 N  N    . LEU   A 122 ? 0.08665694 0.17849389 0.36783490 0.01208630  -0.00492513 -0.03000095 234 LEU   A N    
2011 C  CA   . LEU   A 122 ? 0.09396295 0.18509148 0.37111500 0.00739196  -0.00241232 -0.03151443 234 LEU   A CA   
2012 C  C    . LEU   A 122 ? 0.09093361 0.19035050 0.38221312 0.00049265  0.00036026  -0.03371838 234 LEU   A C    
2013 O  O    . LEU   A 122 ? 0.08819949 0.20222177 0.39760169 -0.00436117 0.00559542  -0.02738465 234 LEU   A O    
2014 C  CB   . LEU   A 122 ? 0.11298733 0.19026130 0.37095478 0.01244397  -0.00605425 -0.03117194 234 LEU   A CB   
2015 C  CG   . LEU   A 122 ? 0.13134605 0.19188438 0.36995029 0.01546631  -0.00726184 -0.03043070 234 LEU   A CG   
2016 C  CD1  . LEU   A 122 ? 0.13171281 0.18910523 0.36825302 0.01487604  -0.00738858 -0.03011642 234 LEU   A CD1  
2017 C  CD2  . LEU   A 122 ? 0.14886706 0.20352054 0.37171301 0.01421754  -0.00963110 -0.03130529 234 LEU   A CD2  
2018 H  H    . LEU   A 122 ? 0.08615059 0.17831409 0.36747363 0.01103592  -0.00406777 -0.02950376 234 LEU   A H    
2019 H  HA   . LEU   A 122 ? 0.09445715 0.18535158 0.37213323 0.00791430  -0.00309738 -0.03148238 234 LEU   A HA   
2020 H  HB2  . LEU   A 122 ? 0.11281315 0.18993421 0.37085730 0.01247664  -0.00548777 -0.03126974 234 LEU   A HB2  
2021 H  HB3  . LEU   A 122 ? 0.11261788 0.18980858 0.37108809 0.01209170  -0.00551334 -0.03127646 234 LEU   A HB3  
2022 H  HG   . LEU   A 122 ? 0.13081716 0.19322230 0.37020025 0.01460153  -0.00745544 -0.03070403 234 LEU   A HG   
2023 H  HD11 . LEU   A 122 ? 0.13102938 0.18973947 0.36857361 0.01491549  -0.00727788 -0.03012836 234 LEU   A HD11 
2024 H  HD12 . LEU   A 122 ? 0.13125077 0.18980516 0.36863965 0.01491632  -0.00717435 -0.03026113 234 LEU   A HD12 
2025 H  HD13 . LEU   A 122 ? 0.13130610 0.18967904 0.36868694 0.01484852  -0.00729072 -0.03018462 234 LEU   A HD13 
2026 H  HD21 . LEU   A 122 ? 0.14742312 0.20075174 0.37141818 0.01377663  -0.00859888 -0.03104206 234 LEU   A HD21 
2027 H  HD22 . LEU   A 122 ? 0.14523672 0.20185867 0.37165707 0.01542227  -0.00888403 -0.03108902 234 LEU   A HD22 
2028 H  HD23 . LEU   A 122 ? 0.14460678 0.20093644 0.37182677 0.01444026  -0.00900830 -0.03054577 234 LEU   A HD23 
2029 N  N    . GLY   A 123 ? 0.07490107 0.18841901 0.37923178 -0.00668324 0.00126123  -0.03658775 235 GLY   A N    
2030 C  CA   . GLY   A 123 ? 0.06930125 0.18861654 0.37853014 -0.00729712 0.00973857  -0.03883033 235 GLY   A CA   
2031 C  C    . GLY   A 123 ? 0.06594565 0.19090439 0.38060117 -0.01159536 0.01180274  -0.04106122 235 GLY   A C    
2032 O  O    . GLY   A 123 ? 0.06310973 0.20001994 0.38604116 -0.01291039 0.01656017  -0.04574856 235 GLY   A O    
2033 H  H    . GLY   A 123 ? 0.07457722 0.18874691 0.37928689 -0.00549726 0.00193853  -0.03653933 235 GLY   A H    
2034 H  HA2  . GLY   A 123 ? 0.06887431 0.18941632 0.37945852 -0.00803507 0.00841161  -0.03872924 235 GLY   A HA2  
2035 H  HA3  . GLY   A 123 ? 0.06969255 0.18915653 0.37924170 -0.00810305 0.00825078  -0.03879922 235 GLY   A HA3  
2036 N  N    . ILE   A 124 ? 0.06865232 0.19902340 0.38216996 -0.00886818 0.00048906  -0.03871794 236 ILE   A N    
2037 C  CA   . ILE   A 124 ? 0.07192054 0.18913734 0.38799423 -0.00665509 0.00289237  -0.03697215 236 ILE   A CA   
2038 C  C    . ILE   A 124 ? 0.07937747 0.18886393 0.39170298 -0.00943740 0.00609702  -0.03544873 236 ILE   A C    
2039 O  O    . ILE   A 124 ? 0.08219220 0.18418895 0.39676777 -0.01324295 0.01268996  -0.03977776 236 ILE   A O    
2040 C  CB   . ILE   A 124 ? 0.08750089 0.20001522 0.39302212 -0.01077849 -0.00621948 -0.03391345 236 ILE   A CB   
2041 C  CG1  . ILE   A 124 ? 0.10972479 0.20295626 0.39999112 -0.00650735 -0.00358957 -0.02813247 236 ILE   A CG1  
2042 C  CG2  . ILE   A 124 ? 0.09445981 0.19889641 0.39507455 -0.01349174 -0.00604177 -0.03415556 236 ILE   A CG2  
2043 C  CD1  . ILE   A 124 ? 0.11219953 0.21105349 0.40600663 -0.00557613 -0.00402573 -0.02537701 236 ILE   A CD1  
2044 H  H    . ILE   A 124 ? 0.07028490 0.19472501 0.38357329 -0.00902229 0.00300173  -0.03885636 236 ILE   A H    
2045 H  HA   . ILE   A 124 ? 0.07259937 0.19287595 0.38796178 -0.00845154 0.00270360  -0.03653732 236 ILE   A HA   
2046 H  HB   . ILE   A 124 ? 0.08920276 0.19814654 0.39354002 -0.00973978 -0.00383508 -0.03351249 236 ILE   A HB   
2047 H  HG12 . ILE   A 124 ? 0.10665546 0.20412926 0.40007371 -0.00713331 -0.00516900 -0.02887981 236 ILE   A HG12 
2048 H  HG13 . ILE   A 124 ? 0.10470475 0.20402034 0.39980558 -0.00728106 -0.00432605 -0.02880024 236 ILE   A HG13 
2049 H  HG21 . ILE   A 124 ? 0.09316634 0.19936901 0.39495200 -0.01277882 -0.00586731 -0.03414808 236 ILE   A HG21 
2050 H  HG22 . ILE   A 124 ? 0.09375253 0.19919693 0.39474389 -0.01271083 -0.00646727 -0.03409147 236 ILE   A HG22 
2051 H  HG23 . ILE   A 124 ? 0.09273024 0.19892187 0.39458209 -0.01277166 -0.00603371 -0.03403983 236 ILE   A HG23 
2052 H  HD11 . ILE   A 124 ? 0.11223301 0.20929471 0.40469962 -0.00561390 -0.00395256 -0.02609430 236 ILE   A HD11 
2053 H  HD12 . ILE   A 124 ? 0.11202084 0.21013036 0.40422446 -0.00550190 -0.00370242 -0.02616310 236 ILE   A HD12 
2054 H  HD13 . ILE   A 124 ? 0.11177255 0.20913638 0.40482906 -0.00579152 -0.00367709 -0.02584375 236 ILE   A HD13 
2055 N  N    . SER   A 125 ? 0.08430088 0.18369173 0.38955656 -0.00968511 0.01322661  -0.03526057 237 SER   A N    
2056 C  CA   . SER   A 125 ? 0.10380883 0.18731068 0.39548990 -0.01053847 0.01431095  -0.03113830 237 SER   A CA   
2057 C  C    . SER   A 125 ? 0.10825608 0.18480562 0.39378110 -0.00819302 0.01730576  -0.02729641 237 SER   A C    
2058 O  O    . SER   A 125 ? 0.09470841 0.18034677 0.39750436 -0.01191997 0.01799440  -0.03223876 237 SER   A O    
2059 C  CB   . SER   A 125 ? 0.12228370 0.19913523 0.40204421 -0.00729800 0.01182460  -0.02604476 237 SER   A CB   
2060 O  OG   . SER   A 125 ? 0.12624678 0.22296962 0.41688719 -0.00339386 0.00517089  -0.02613446 237 SER   A OG   
2061 H  H    . SER   A 125 ? 0.08523684 0.18564199 0.39065114 -0.01031906 0.01273493  -0.03407931 237 SER   A H    
2062 H  HA   . SER   A 125 ? 0.10334237 0.18806131 0.39501035 -0.00938714 0.01414735  -0.03046102 237 SER   A HA   
2063 H  HB2  . SER   A 125 ? 0.11849233 0.19977395 0.40339607 -0.00742579 0.01114722  -0.02682879 237 SER   A HB2  
2064 H  HB3  . SER   A 125 ? 0.11853430 0.20103119 0.40355581 -0.00722095 0.01098968  -0.02719015 237 SER   A HB3  
2065 H  HG   . SER   A 125 ? 0.28283808 0.28283808 0.28283808 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2066 N  N    . GLY   A 126 ? 0.11868746 0.18539679 0.39509842 -0.00604794 0.02283160  -0.02175413 238 GLY   A N    
2067 C  CA   . GLY   A 126 ? 0.12558120 0.18257712 0.39679861 -0.00212915 0.02101293  -0.02001553 238 GLY   A CA   
2068 C  C    . GLY   A 126 ? 0.12002206 0.19108669 0.39579448 0.00433774  0.01567421  -0.01479461 238 GLY   A C    
2069 O  O    . GLY   A 126 ? 0.11605098 0.19779518 0.39401472 0.00116733  0.01190331  -0.01148221 238 GLY   A O    
2070 H  H    . GLY   A 126 ? 0.11704795 0.18476427 0.39473668 -0.00592915 0.02141210  -0.02262108 238 GLY   A H    
2071 H  HA2  . GLY   A 126 ? 0.12337284 0.18560480 0.39650434 -0.00157918 0.01997190  -0.01924440 238 GLY   A HA2  
2072 H  HA3  . GLY   A 126 ? 0.12304356 0.18528092 0.39647478 -0.00139535 0.01982397  -0.01958766 238 GLY   A HA3  
2073 N  N    . ASP   A 127 ? 0.13640659 0.20376356 0.39430463 0.00150754  0.01982167  -0.01373794 239 ASP   A N    
2074 C  CA   . ASP   A 127 ? 0.14897116 0.20604986 0.39598846 0.00601513  0.01874777  -0.01671139 239 ASP   A CA   
2075 C  C    . ASP   A 127 ? 0.14472690 0.20883827 0.39038870 0.00533404  0.02225947  -0.01923121 239 ASP   A C    
2076 O  O    . ASP   A 127 ? 0.14870940 0.20820716 0.38968948 0.01962567  0.02276232  -0.01851630 239 ASP   A O    
2077 C  CB   . ASP   A 127 ? 0.16126087 0.21330151 0.41001549 0.01343579  0.02191486  -0.01341903 239 ASP   A CB   
2078 C  CG   . ASP   A 127 ? 0.17113604 0.22996794 0.42335990 0.01538286  0.01649727  -0.00558514 239 ASP   A CG   
2079 O  OD1  . ASP   A 127 ? 0.18833554 0.25745088 0.43295979 0.02605940  0.02289835  0.00860330  239 ASP   A OD1  
2080 O  OD2  . ASP   A 127 ? 0.17855535 0.22652659 0.44234625 0.02495092  0.01441462  -0.00267397 239 ASP   A OD2  
2081 H  H    . ASP   A 127 ? 0.13526303 0.20085883 0.39515853 0.00323342  0.01855064  -0.01473338 239 ASP   A H    
2082 H  HA   . ASP   A 127 ? 0.14812428 0.20751113 0.39734581 0.00666479  0.01972260  -0.01604968 239 ASP   A HA   
2083 H  HB2  . ASP   A 127 ? 0.16030104 0.21503963 0.40935716 0.01224642  0.02003062  -0.01240808 239 ASP   A HB2  
2084 H  HB3  . ASP   A 127 ? 0.16045228 0.21523868 0.40949669 0.01234929  0.02019885  -0.01223692 239 ASP   A HB3  
2085 N  N    . ILE   A 128 ? 0.13962883 0.21512096 0.38447690 0.00646838  0.02201758  -0.01621974 240 ILE   A N    
2086 C  CA   . ILE   A 128 ? 0.13080485 0.22723904 0.38103271 0.00450476  0.02359029  -0.01665010 240 ILE   A CA   
2087 C  C    . ILE   A 128 ? 0.13330145 0.23473915 0.38269132 0.00103887  0.02528930  -0.02056307 240 ILE   A C    
2088 O  O    . ILE   A 128 ? 0.13670975 0.23129551 0.37522164 0.00913102  0.01589251  -0.01391542 240 ILE   A O    
2089 C  CB   . ILE   A 128 ? 0.12774369 0.23177461 0.38359532 0.00437604  0.02557372  -0.01486152 240 ILE   A CB   
2090 C  CG1  . ILE   A 128 ? 0.13068552 0.24164766 0.38014382 0.00256687  0.02693385  -0.01456563 240 ILE   A CG1  
2091 C  CG2  . ILE   A 128 ? 0.12495965 0.23995955 0.38456681 0.00206787  0.02478530  -0.01396686 240 ILE   A CG2  
2092 C  CD1  . ILE   A 128 ? 0.13470729 0.24219108 0.38004285 0.00327811  0.02901091  -0.01416107 240 ILE   A CD1  
2093 H  H    . ILE   A 128 ? 0.13875337 0.21625984 0.38511288 0.00572784  0.02242062  -0.01705050 240 ILE   A H    
2094 H  HA   . ILE   A 128 ? 0.13285212 0.22690502 0.38229877 0.00420328  0.02401462  -0.01731152 240 ILE   A HA   
2095 H  HB   . ILE   A 128 ? 0.12830605 0.23420420 0.38255405 0.00368199  0.02524368  -0.01490650 240 ILE   A HB   
2096 H  HG12 . ILE   A 128 ? 0.13085054 0.23946655 0.38088655 0.00315032  0.02707838  -0.01453036 240 ILE   A HG12 
2097 H  HG13 . ILE   A 128 ? 0.13068719 0.23940852 0.38086447 0.00311892  0.02710648  -0.01455151 240 ILE   A HG13 
2098 H  HG21 . ILE   A 128 ? 0.12610309 0.23833579 0.38443837 0.00309321  0.02496206  -0.01434263 240 ILE   A HG21 
2099 H  HG22 . ILE   A 128 ? 0.12626272 0.23716047 0.38482475 0.00294547  0.02476402  -0.01455994 240 ILE   A HG22 
2100 H  HG23 . ILE   A 128 ? 0.12594610 0.23772521 0.38476357 0.00282601  0.02490742  -0.01412319 240 ILE   A HG23 
2101 H  HD11 . ILE   A 128 ? 0.13379286 0.24207397 0.38029325 0.00301048  0.02852549  -0.01440107 240 ILE   A HD11 
2102 H  HD12 . ILE   A 128 ? 0.13365717 0.24201094 0.38009733 0.00308096  0.02839027  -0.01434792 240 ILE   A HD12 
2103 H  HD13 . ILE   A 128 ? 0.13410562 0.24202763 0.38021123 0.00318286  0.02822335  -0.01434796 240 ILE   A HD13 
2104 N  N    . ASP   A 129 ? 0.14208941 0.23663303 0.38036561 -0.00161708 0.02524056  -0.02715809 241 ASP   A N    
2105 C  CA   . ASP   A 129 ? 0.14625895 0.25437501 0.39157289 0.00002374  0.03220068  -0.03289362 241 ASP   A CA   
2106 C  C    . ASP   A 129 ? 0.12808287 0.24802390 0.37956327 -0.00341913 0.03196744  -0.03740647 241 ASP   A C    
2107 O  O    . ASP   A 129 ? 0.16211429 0.24617901 0.38187391 0.01253529  0.04182190  -0.04139487 241 ASP   A O    
2108 C  CB   . ASP   A 129 ? 0.18438429 0.28647807 0.40632993 -0.00925870 0.02739646  -0.03900176 241 ASP   A CB   
2109 C  CG   . ASP   A 129 ? 0.24178703 0.30583060 0.43022078 -0.01608041 0.02882118  -0.03671501 241 ASP   A CG   
2110 O  OD1  . ASP   A 129 ? 0.28381309 0.34393936 0.44077206 -0.03381832 0.02792260  -0.02725062 241 ASP   A OD1  
2111 O  OD2  . ASP   A 129 ? 0.31525898 0.36114472 0.45192873 -0.01523334 0.02081697  -0.05327195 241 ASP   A OD2  
2112 H  H    . ASP   A 129 ? 0.14061497 0.23973551 0.38280657 -0.00048786 0.02694960  -0.02676705 241 ASP   A H    
2113 H  HA   . ASP   A 129 ? 0.14750177 0.25441718 0.38921484 -0.00260310 0.02975884  -0.03348574 241 ASP   A HA   
2114 H  HB2  . ASP   A 129 ? 0.18606073 0.28210548 0.40744168 -0.00835304 0.02875734  -0.03711081 241 ASP   A HB2  
2115 H  HB3  . ASP   A 129 ? 0.18586299 0.28188938 0.40708593 -0.00846422 0.02886350  -0.03700723 241 ASP   A HB3  
2116 N  N    . LEU   A 130 ? 0.09335507 0.24270301 0.37755769 -0.00756205 0.02934622  -0.03838286 242 LEU   A N    
2117 C  CA   . LEU   A 130 ? 0.08775529 0.24177904 0.37376085 -0.01289008 0.02760023  -0.04063105 242 LEU   A CA   
2118 C  C    . LEU   A 130 ? 0.08085496 0.24385422 0.37653670 -0.01522806 0.02355413  -0.04481313 242 LEU   A C    
2119 O  O    . LEU   A 130 ? 0.08687529 0.26362979 0.38068599 -0.01865925 0.02972598  -0.03647096 242 LEU   A O    
2120 C  CB   . LEU   A 130 ? 0.08458852 0.24205664 0.37188682 -0.01642096 0.02587832  -0.04090632 242 LEU   A CB   
2121 C  CG   . LEU   A 130 ? 0.08596155 0.24149838 0.37257636 -0.02093234 0.02293677  -0.03986288 242 LEU   A CG   
2122 C  CD1  . LEU   A 130 ? 0.08125256 0.23584306 0.36989394 -0.02131857 0.01918306  -0.04276527 242 LEU   A CD1  
2123 C  CD2  . LEU   A 130 ? 0.07550572 0.23867238 0.37128621 -0.02352564 0.02509730  -0.04215808 242 LEU   A CD2  
2124 H  H    . LEU   A 130 ? 0.09989884 0.24366859 0.37687424 -0.00797403 0.02965152  -0.03847692 242 LEU   A H    
2125 H  HA   . LEU   A 130 ? 0.08693497 0.24233340 0.37448221 -0.01295044 0.02707270  -0.04098103 242 LEU   A HA   
2126 H  HB2  . LEU   A 130 ? 0.08527232 0.24177842 0.37238362 -0.01650461 0.02553619  -0.04051769 242 LEU   A HB2  
2127 H  HB3  . LEU   A 130 ? 0.08528898 0.24180824 0.37229565 -0.01669741 0.02586327  -0.04047640 242 LEU   A HB3  
2128 H  HG   . LEU   A 130 ? 0.08370592 0.24025856 0.37191561 -0.02113703 0.02360364  -0.04128251 242 LEU   A HG   
2129 H  HD11 . LEU   A 130 ? 0.08260041 0.23687966 0.37003005 -0.02097096 0.02025563  -0.04187055 242 LEU   A HD11 
2130 H  HD12 . LEU   A 130 ? 0.08246266 0.23628046 0.37046665 -0.02116273 0.02020742  -0.04202883 242 LEU   A HD12 
2131 H  HD13 . LEU   A 130 ? 0.08192652 0.23692189 0.37039638 -0.02079314 0.01999868  -0.04178552 242 LEU   A HD13 
2132 H  HD21 . LEU   A 130 ? 0.07684607 0.23955604 0.37156823 -0.02331929 0.02526167  -0.04093727 242 LEU   A HD21 
2133 H  HD22 . LEU   A 130 ? 0.07776602 0.23928368 0.37154561 -0.02272293 0.02448170  -0.04127052 242 LEU   A HD22 
2134 H  HD23 . LEU   A 130 ? 0.07804025 0.23887762 0.37161505 -0.02291632 0.02462059  -0.04138961 242 LEU   A HD23 
2135 N  N    . THR   A 131 ? 0.08425545 0.24084432 0.37697494 -0.01140217 0.01731888  -0.04516976 243 THR   A N    
2136 C  CA   . THR   A 131 ? 0.11343324 0.24586752 0.38364491 -0.00494649 0.00782024  -0.04434603 243 THR   A CA   
2137 C  C    . THR   A 131 ? 0.10577756 0.24362211 0.38424760 0.00080958  0.00738120  -0.04267347 243 THR   A C    
2138 O  O    . THR   A 131 ? 0.10812958 0.24718545 0.40030384 0.00897514  0.01168225  -0.03647386 243 THR   A O    
2139 C  CB   . THR   A 131 ? 0.15088762 0.26096487 0.38557649 -0.00677777 0.00320809  -0.04593193 243 THR   A CB   
2140 O  OG1  . THR   A 131 ? 0.19416943 0.26389113 0.39358261 -0.00549556 -0.00147970 -0.04688773 243 THR   A OG1  
2141 C  CG2  . THR   A 131 ? 0.16121094 0.27280420 0.38520384 -0.00942677 -0.00039476 -0.04779860 243 THR   A CG2  
2142 H  H    . THR   A 131 ? 0.08569220 0.24264079 0.37773633 -0.01150461 0.01830809  -0.04465561 243 THR   A H    
2143 H  HA   . THR   A 131 ? 0.11250559 0.24781775 0.38302723 -0.00491125 0.00895371  -0.04434636 243 THR   A HA   
2144 H  HB   . THR   A 131 ? 0.15184687 0.25983399 0.38617909 -0.00707064 0.00284541  -0.04592972 243 THR   A HB   
2145 H  HG1  . THR   A 131 ? 0.30510339 0.30510339 0.30510339 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2146 H  HG21 . THR   A 131 ? 0.15840650 0.26974243 0.38553315 -0.00844818 0.00058168  -0.04713353 243 THR   A HG21 
2147 H  HG22 . THR   A 131 ? 0.15961055 0.27009687 0.38544989 -0.00778981 0.00037781  -0.04726680 243 THR   A HG22 
2148 H  HG23 . THR   A 131 ? 0.15817285 0.27104762 0.38550898 -0.00853275 0.00060595  -0.04672607 243 THR   A HG23 
2149 N  N    . SER   A 132 ? 0.10741363 0.23729038 0.38694862 0.00122537  0.01044646  -0.03905254 244 SER   A N    
2150 C  CA   . SER   A 132 ? 0.10561429 0.23622754 0.38978437 0.00311460  0.00846695  -0.03960352 244 SER   A CA   
2151 C  C    . SER   A 132 ? 0.09614593 0.22192296 0.38823912 0.00917218  0.01434054  -0.04260652 244 SER   A C    
2152 O  O    . SER   A 132 ? 0.10628701 0.20872210 0.37575552 0.01179177  0.02012053  -0.04654067 244 SER   A O    
2153 C  CB   . SER   A 132 ? 0.12374787 0.25476557 0.39828849 0.00582483  0.00244226  -0.03451307 244 SER   A CB   
2154 O  OG   . SER   A 132 ? 0.15400696 0.27244270 0.40088516 0.00790658  0.00463175  -0.02946596 244 SER   A OG   
2155 H  H    . SER   A 132 ? 0.10675545 0.23856968 0.38688681 0.00135470  0.00925515  -0.04007854 244 SER   A H    
2156 H  HA   . SER   A 132 ? 0.10699975 0.23678908 0.39026082 0.00439479  0.00912058  -0.03920131 244 SER   A HA   
2157 H  HB2  . SER   A 132 ? 0.12530683 0.25438905 0.39678320 0.00548662  0.00427772  -0.03434598 244 SER   A HB2  
2158 H  HB3  . SER   A 132 ? 0.12408406 0.25370908 0.39651978 0.00518617  0.00399888  -0.03474062 244 SER   A HB3  
2159 H  HG   . SER   A 132 ? 0.30040461 0.30040461 0.30040461 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2160 N  N    . ALA   A 133 ? 0.09388167 0.22437797 0.39719701 0.00528890  0.01707490  -0.04536527 245 ALA   A N    
2161 C  CA   . ALA   A 133 ? 0.09689474 0.22309294 0.40195456 0.00301592  0.01788257  -0.04194556 245 ALA   A CA   
2162 C  C    . ALA   A 133 ? 0.10018516 0.22472228 0.41058362 0.00955460  0.02188765  -0.04008640 245 ALA   A C    
2163 O  O    . ALA   A 133 ? 0.11331297 0.24422887 0.41379988 0.01323564  0.03150959  -0.04182947 245 ALA   A O    
2164 C  CB   . ALA   A 133 ? 0.11110932 0.23186634 0.40428087 -0.00145869 0.01712785  -0.03952834 245 ALA   A CB   
2165 H  H    . ALA   A 133 ? 0.09431733 0.22363319 0.39593959 0.00597593  0.01690514  -0.04394112 245 ALA   A H    
2166 H  HA   . ALA   A 133 ? 0.09906479 0.22478372 0.40247750 0.00408132  0.01879032  -0.04182569 245 ALA   A HA   
2167 H  HB1  . ALA   A 133 ? 0.10741704 0.23135787 0.40389603 -0.00048597 0.01716013  -0.03973887 245 ALA   A HB1  
2168 H  HB2  . ALA   A 133 ? 0.10809228 0.22976103 0.40445772 -0.00010039 0.01654350  -0.04004703 245 ALA   A HB2  
2169 H  HB3  . ALA   A 133 ? 0.10824044 0.23004638 0.40397748 0.00041860  0.01765633  -0.03979582 245 ALA   A HB3  
2170 N  N    . SER   A 134 ? 0.09867688 0.22104710 0.41882849 0.01122020  0.01562031  -0.03997717 246 SER   A N    
2171 C  CA   . SER   A 134 ? 0.12222758 0.22413266 0.43278062 0.01844073  0.01017680  -0.03957373 246 SER   A CA   
2172 C  C    . SER   A 134 ? 0.12561470 0.20662673 0.43718058 0.02214145  0.00636385  -0.04640649 246 SER   A C    
2173 O  O    . SER   A 134 ? 0.13118911 0.20240720 0.43285096 0.02597029  0.01433469  -0.04787327 246 SER   A O    
2174 C  CB   . SER   A 134 ? 0.13210715 0.24184263 0.43795499 0.02001875  0.00723536  -0.03571268 246 SER   A CB   
2175 O  OG   . SER   A 134 ? 0.15973225 0.27043319 0.44324368 0.01917598  0.00499103  -0.03455755 246 SER   A OG   
2176 H  H    . SER   A 134 ? 0.10267676 0.22233246 0.41891265 0.01279606  0.01687969  -0.04032835 246 SER   A H    
2177 H  HA   . SER   A 134 ? 0.11951990 0.22335932 0.43193045 0.01781582  0.01004472  -0.04008960 246 SER   A HA   
2178 H  HB2  . SER   A 134 ? 0.13537325 0.24214062 0.43793875 0.01968803  0.00743532  -0.03654418 246 SER   A HB2  
2179 H  HB3  . SER   A 134 ? 0.13446534 0.24282432 0.43774933 0.01880396  0.00774038  -0.03620516 246 SER   A HB3  
2180 H  HG   . SER   A 134 ? 0.32116279 0.32116279 0.32116279 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2181 N  N    . TYR   A 135 ? 0.14264295 0.20818675 0.45230213 0.03380844  0.00038784  -0.05025936 247 TYR   A N    
2182 C  CA   . TYR   A 135 ? 0.15366119 0.20883828 0.46516910 0.02670701  -0.01053270 -0.05166466 247 TYR   A CA   
2183 C  C    . TYR   A 135 ? 0.16069806 0.21012674 0.46815130 0.02951623  -0.01282314 -0.04851525 247 TYR   A C    
2184 O  O    . TYR   A 135 ? 0.15927748 0.21541865 0.47304815 0.02353648  -0.00969635 -0.05050032 247 TYR   A O    
2185 C  CB   . TYR   A 135 ? 0.17437138 0.22251862 0.47725248 0.02906975  -0.02393817 -0.05652718 247 TYR   A CB   
2186 C  CG   . TYR   A 135 ? 0.18076319 0.23208399 0.48381895 0.04326433  -0.03490033 -0.07108963 247 TYR   A CG   
2187 C  CD1  . TYR   A 135 ? 0.21422102 0.23858225 0.49948823 0.04665539  -0.03852975 -0.07599187 247 TYR   A CD1  
2188 C  CD2  . TYR   A 135 ? 0.18890025 0.23855372 0.49325430 0.04350311  -0.04050309 -0.07301700 247 TYR   A CD2  
2189 C  CE1  . TYR   A 135 ? 0.23574466 0.25857839 0.49903712 0.04489500  -0.03907836 -0.08168647 247 TYR   A CE1  
2190 C  CE2  . TYR   A 135 ? 0.22432430 0.25782520 0.49512219 0.03938271  -0.03995550 -0.08092435 247 TYR   A CE2  
2191 C  CZ   . TYR   A 135 ? 0.24047166 0.26349938 0.50249058 0.04764779  -0.03965886 -0.08355277 247 TYR   A CZ   
2192 O  OH   . TYR   A 135 ? 0.24506989 0.31324258 0.51622057 0.05619068  -0.03809685 -0.09121238 247 TYR   A OH   
2193 H  H    . TYR   A 135 ? 0.13932659 0.20821528 0.45087221 0.02977013  0.00012702  -0.04958906 247 TYR   A H    
2194 H  HA   . TYR   A 135 ? 0.15561980 0.21121253 0.46446392 0.02886250  -0.01073001 -0.05123548 247 TYR   A HA   
2195 H  HB2  . TYR   A 135 ? 0.17073926 0.22148103 0.47580153 0.03134803  -0.02306846 -0.05860684 247 TYR   A HB2  
2196 H  HB3  . TYR   A 135 ? 0.17120534 0.22275113 0.47589925 0.03083194  -0.02293640 -0.05895741 247 TYR   A HB3  
2197 H  HD1  . TYR   A 135 ? 0.21057300 0.24189223 0.49575049 0.04546012  -0.03786048 -0.07636154 247 TYR   A HD1  
2198 H  HD2  . TYR   A 135 ? 0.19475089 0.23914374 0.49092272 0.04291724  -0.03873966 -0.07445486 247 TYR   A HD2  
2199 H  HE1  . TYR   A 135 ? 0.23095636 0.25768754 0.49979252 0.04522101  -0.03907442 -0.08029944 247 TYR   A HE1  
2200 H  HE2  . TYR   A 135 ? 0.21953620 0.25590959 0.49639344 0.04244386  -0.04016447 -0.07988305 247 TYR   A HE2  
2201 H  HH   . TYR   A 135 ? 0.41976100 0.41976100 0.41976100 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2202 N  N    . THR   A 136 ? 0.17203467 0.21812545 0.47509894 0.03480181  -0.00926632 -0.03353017 248 THR   A N    
2203 C  CA   . THR   A 136 ? 0.19734596 0.23080422 0.48316020 0.03563937  -0.01786523 -0.02183850 248 THR   A CA   
2204 C  C    . THR   A 136 ? 0.20426640 0.23610260 0.48220289 0.03245739  -0.01780269 -0.01541692 248 THR   A C    
2205 O  O    . THR   A 136 ? 0.19548512 0.21165882 0.48903558 0.02605283  -0.01636365 -0.01998375 248 THR   A O    
2206 C  CB   . THR   A 136 ? 0.23673320 0.25813478 0.48936087 0.03053663  -0.02129064 -0.02435526 248 THR   A CB   
2207 O  OG1  . THR   A 136 ? 0.26142910 0.28134850 0.50551426 0.03396527  -0.03689191 -0.01055148 248 THR   A OG1  
2208 C  CG2  . THR   A 136 ? 0.23711552 0.26311606 0.48770416 0.03078295  -0.02203964 -0.02196565 248 THR   A CG2  
2209 H  H    . THR   A 136 ? 0.17192702 0.21822402 0.47478876 0.03454174  -0.01167769 -0.03497406 248 THR   A H    
2210 H  HA   . THR   A 136 ? 0.19911684 0.23324233 0.48214564 0.03393029  -0.01660452 -0.02379675 248 THR   A HA   
2211 H  HB   . THR   A 136 ? 0.23356238 0.25777617 0.49062195 0.03253420  -0.02359247 -0.02089190 248 THR   A HB   
2212 H  HG1  . THR   A 136 ? 0.41759524 0.41759524 0.41759524 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2213 H  HG21 . THR   A 136 ? 0.23694637 0.26162410 0.48804531 0.03063419  -0.02187761 -0.02280110 248 THR   A HG21 
2214 H  HG22 . THR   A 136 ? 0.23713651 0.26169208 0.48812765 0.03088462  -0.02184244 -0.02278297 248 THR   A HG22 
2215 H  HG23 . THR   A 136 ? 0.23673624 0.26152450 0.48813102 0.03017481  -0.02178231 -0.02315716 248 THR   A HG23 
2216 N  N    . MET   A 137 ? 0.24439962 0.24944401 0.48087880 0.03951428  -0.01476450 -0.00197291 249 MET   A N    
2217 C  CA   . MET   A 137 ? 0.25980613 0.27831775 0.48028591 0.03353035  -0.00833843 0.00722491  249 MET   A CA   
2218 C  C    . MET   A 137 ? 0.29346243 0.31685075 0.48146328 0.02211795  -0.00755358 0.01983491  249 MET   A C    
2219 O  O    . MET   A 137 ? 0.28988522 0.34258029 0.47826055 0.02102489  0.00075552  0.03957168  249 MET   A O    
2220 C  CB   . MET   A 137 ? 0.27866000 0.28088832 0.48326135 0.05262563  -0.00968105 0.00500989  249 MET   A CB   
2221 C  CG   . MET   A 137 ? 0.29176384 0.28067273 0.48384658 0.06815820  -0.00874736 -0.00060815 249 MET   A CG   
2222 S  SD   . MET   A 137 ? 0.32519057 0.30653712 0.48545524 0.10138430  -0.01199700 -0.00900121 249 MET   A SD   
2223 C  CE   . MET   A 137 ? 0.32331386 0.30941364 0.48914921 0.09742524  -0.01385079 0.00376784  249 MET   A CE   
2224 H  H    . MET   A 137 ? 0.23886304 0.25209460 0.48117256 0.03542233  -0.01392117 -0.00359761 249 MET   A H    
2225 H  HA   . MET   A 137 ? 0.26397172 0.27814344 0.48036289 0.03577991  -0.00965940 0.00708164  249 MET   A HA   
2226 H  HB2  . MET   A 137 ? 0.27713922 0.28033751 0.48264673 0.05182550  -0.00923043 0.00431491  249 MET   A HB2  
2227 H  HB3  . MET   A 137 ? 0.27789897 0.28063482 0.48268464 0.05230310  -0.00927100 0.00420298  249 MET   A HB3  
2228 H  HG2  . MET   A 137 ? 0.29194576 0.28387624 0.48385969 0.06909817  -0.00935001 -0.00078117 249 MET   A HG2  
2229 H  HG3  . MET   A 137 ? 0.29369998 0.28327644 0.48362201 0.07034986  -0.00941508 -0.00148600 249 MET   A HG3  
2230 H  HE1  . MET   A 137 ? 0.32343471 0.30890387 0.48795938 0.09852435  -0.01383824 0.00108651  249 MET   A HE1  
2231 H  HE2  . MET   A 137 ? 0.32359502 0.30901515 0.48822689 0.09821219  -0.01360190 0.00084306  249 MET   A HE2  
2232 H  HE3  . MET   A 137 ? 0.32385629 0.31049308 0.48857754 0.09784658  -0.01379087 0.00156377  249 MET   A HE3  
2233 N  N    . ILE   A 138 ? 0.30214188 0.33807847 0.48115689 0.01106146  0.00093756  0.02657200  250 ILE   A N    
2234 C  CA   . ILE   A 138 ? 0.34962684 0.36615691 0.48435730 -0.00338806 -0.00011524 0.03075670  250 ILE   A CA   
2235 C  C    . ILE   A 138 ? 0.37249812 0.37817603 0.48887372 -0.01975135 0.00459873  0.04078819  250 ILE   A C    
2236 O  O    . ILE   A 138 ? 0.38706502 0.37950462 0.49689925 -0.03214129 0.00256517  0.05158444  250 ILE   A O    
2237 C  CB   . ILE   A 138 ? 0.36584660 0.37091970 0.48607069 0.00006737  0.00552550  0.02535757  250 ILE   A CB   
2238 C  CG1  . ILE   A 138 ? 0.37062591 0.37895206 0.48350242 0.00274377  0.00304449  0.02487739  250 ILE   A CG1  
2239 C  CG2  . ILE   A 138 ? 0.37496093 0.37232396 0.48610762 -0.00306859 0.00864962  0.02375433  250 ILE   A CG2  
2240 C  CD1  . ILE   A 138 ? 0.37756708 0.38799068 0.48492745 0.00549277  0.00347191  0.02560946  250 ILE   A CD1  
2241 O  OXT  . ILE   A 138 ? 0.39212826 0.39145043 0.48610198 -0.03434766 0.01529528  0.04628623  250 ILE   A OXT  
2242 H  H    . ILE   A 138 ? 0.30866209 0.33752802 0.48135853 0.01138419  -0.00204900 0.02574667  250 ILE   A H    
2243 H  HA   . ILE   A 138 ? 0.34578800 0.36264819 0.48478693 -0.00230817 0.00202373  0.03072318  250 ILE   A HA   
2244 H  HB   . ILE   A 138 ? 0.36530641 0.37175009 0.48562992 -0.00066225 0.00454222  0.02595186  250 ILE   A HB   
2245 H  HG12 . ILE   A 138 ? 0.36822087 0.37676492 0.48349869 0.00249621  0.00383661  0.02499058  250 ILE   A HG12 
2246 H  HG13 . ILE   A 138 ? 0.37065056 0.37887001 0.48427147 0.00240818  0.00380030  0.02532692  250 ILE   A HG13 
2247 H  HG21 . ILE   A 138 ? 0.37252069 0.37203929 0.48615494 -0.00265865 0.00743675  0.02444509  250 ILE   A HG21 
2248 H  HG22 . ILE   A 138 ? 0.36892435 0.36949554 0.48548383 -0.00220345 0.00750408  0.02382625  250 ILE   A HG22 
2249 H  HG23 . ILE   A 138 ? 0.37276232 0.37153524 0.48640493 -0.00197491 0.00830542  0.02436341  250 ILE   A HG23 
2250 H  HD11 . ILE   A 138 ? 0.37569150 0.38573080 0.48482588 0.00475908  0.00347429  0.02534804  250 ILE   A HD11 
2251 H  HD12 . ILE   A 138 ? 0.37638289 0.38576463 0.48486346 0.00496710  0.00387703  0.02554464  250 ILE   A HD12 
2252 H  HD13 . ILE   A 138 ? 0.37568229 0.38698259 0.48464862 0.00480413  0.00351095  0.02547487  250 ILE   A HD13 
2253 N  N1   . A1H2L B .   ? 0.18641299 0.24869807 0.38959309 0.02801191  -0.02340652 0.01355204  301 A1H2L A N1   
2254 N  N3   . A1H2L B .   ? 0.19309907 0.25713482 0.38749605 0.01863521  -0.02251719 0.01666154  301 A1H2L A N3   
2255 C  C4   . A1H2L B .   ? 0.17277808 0.21412736 0.37060365 0.02747233  -0.01617439 0.01138271  301 A1H2L A C4   
2256 C  C5   . A1H2L B .   ? 0.17805530 0.23113318 0.38095248 0.02587543  -0.02188756 0.01325791  301 A1H2L A C5   
2257 C  C6   . A1H2L B .   ? 0.19038016 0.23564920 0.38306534 0.02579543  -0.02352113 0.01674687  301 A1H2L A C6   
2258 C  C7   . A1H2L B .   ? 0.18593967 0.26926062 0.39665547 0.03606254  -0.02167154 0.01159975  301 A1H2L A C7   
2259 C  C8   . A1H2L B .   ? 0.18850501 0.27964431 0.39814448 0.04206493  -0.02545357 0.00940836  301 A1H2L A C8   
2260 C  C10  . A1H2L B .   ? 0.18749377 0.26910952 0.39274257 0.03469669  -0.01943229 0.01694861  301 A1H2L A C10  
2261 C  C13  . A1H2L B .   ? 0.14025466 0.20885846 0.35382283 0.02553670  -0.00996505 -0.00196295 301 A1H2L A C13  
2262 C  C15  . A1H2L B .   ? 0.18457091 0.21427837 0.39343628 0.00365542  0.00589651  -0.00870617 301 A1H2L A C15  
2263 C  C17  . A1H2L B .   ? 0.20332943 0.23173064 0.41995510 -0.01159312 0.00086908  -0.00786881 301 A1H2L A C17  
2264 C  C20  . A1H2L B .   ? 0.21472062 0.21790883 0.43207932 -0.00635433 -0.00326881 -0.01204029 301 A1H2L A C20  
2265 C  C21  . A1H2L B .   ? 0.20897517 0.20380411 0.41811097 -0.00576923 0.00292094  -0.00959580 301 A1H2L A C21  
2266 C  C22  . A1H2L B .   ? 0.17945771 0.21591416 0.38169447 0.00847438  0.00258823  -0.00561324 301 A1H2L A C22  
2267 C  C1   . A1H2L B .   ? 0.19902037 0.23622602 0.39148504 0.02263108  -0.00187698 0.01264810  301 A1H2L A C1   
2268 O  O1   . A1H2L B .   ? 0.18056470 0.23356952 0.38471240 0.02268575  -0.00407627 0.01367779  301 A1H2L A O1   
2269 C  C2   . A1H2L B .   ? 0.16654006 0.22049880 0.37076503 0.02566058  -0.00634623 0.00662020  301 A1H2L A C2   
2270 C  C3   . A1H2L B .   ? 0.16583633 0.21503118 0.36827567 0.03039283  -0.01119151 0.00909607  301 A1H2L A C3   
2271 O  O2   . A1H2L B .   ? 0.19730224 0.28712457 0.40703800 0.05369474  -0.02080721 0.00993334  301 A1H2L A O2   
2272 C  C9   . A1H2L B .   ? 0.20559178 0.27708066 0.40101248 0.04531939  -0.02591899 0.01212550  301 A1H2L A C9   
2273 F  F1   . A1H2L B .   ? 0.18522318 0.28340784 0.39572462 0.03030333  -0.01267932 0.01032342  301 A1H2L A F1   
2274 F  F2   . A1H2L B .   ? 0.18017158 0.26338950 0.39433566 0.04315338  -0.01071710 0.02309310  301 A1H2L A F2   
2275 N  N2   . A1H2L B .   ? 0.18373273 0.24880873 0.39049414 0.02558309  -0.02750747 0.01344151  301 A1H2L A N2   
2276 O  O3   . A1H2L B .   ? 0.16133435 0.20044050 0.35909954 0.03324001  -0.01056592 0.00280373  301 A1H2L A O3   
2277 C  C11  . A1H2L B .   ? 0.13677226 0.20507348 0.35124284 0.03400950  -0.01136693 -0.00351426 301 A1H2L A C11  
2278 C  C12  . A1H2L B .   ? 0.12683448 0.21402657 0.34821129 0.03268832  -0.01382750 -0.00520196 301 A1H2L A C12  
2279 O  O4   . A1H2L B .   ? 0.12514257 0.21315742 0.34565410 0.03163956  -0.01353675 -0.00836351 301 A1H2L A O4   
2280 O  O5   . A1H2L B .   ? 0.13684270 0.20462319 0.34676069 0.02286332  -0.01350279 0.00457645  301 A1H2L A O5   
2281 C  C14  . A1H2L B .   ? 0.16005751 0.21792942 0.36565211 0.02075202  -0.00483210 0.00256442  301 A1H2L A C14  
2282 N  N4   . A1H2L B .   ? 0.16433249 0.21580122 0.37614828 0.01053995  -0.00023240 -0.00359565 301 A1H2L A N4   
2283 N  N5   . A1H2L B .   ? 0.17873621 0.22863273 0.38452283 0.00396362  0.00374945  -0.00418854 301 A1H2L A N5   
2284 N  N6   . A1H2L B .   ? 0.18148056 0.23113202 0.38994113 0.00319427  0.00671024  -0.00789675 301 A1H2L A N6   
2285 C  C16  . A1H2L B .   ? 0.19837581 0.21303755 0.41026774 -0.00386732 0.00195585  -0.00987149 301 A1H2L A C16  
2286 C  C18  . A1H2L B .   ? 0.21272473 0.24248794 0.43185195 -0.01564815 -0.00427577 -0.01040600 301 A1H2L A C18  
2287 C  C19  . A1H2L B .   ? 0.23164283 0.24430643 0.43902832 -0.01238413 0.00048418  -0.00969700 301 A1H2L A C19  
2288 CL CL1  . A1H2L B .   ? 0.27179328 0.31039941 0.47431967 -0.01132076 -0.02890407 -0.02016746 301 A1H2L A CL1  
2289 F  F3   . A1H2L B .   ? 0.21590969 0.22237657 0.44657943 -0.01436405 -0.00946276 -0.01744054 301 A1H2L A F3   
2290 F  F4   . A1H2L B .   ? 0.20507917 0.19249962 0.41381606 -0.00453235 0.00651637  -0.00348657 301 A1H2L A F4   
2291 H  H7   . A1H2L B .   ? 0.17208154 0.21674545 0.37168860 0.02746154  -0.01585574 0.01192457  301 A1H2L A H7   
2292 H  H6   . A1H2L B .   ? 0.17138515 0.21691233 0.37158367 0.02811378  -0.01570163 0.01082276  301 A1H2L A H6   
2293 H  H8   . A1H2L B .   ? 0.18638700 0.23741843 0.38304102 0.02632166  -0.02278583 0.01514293  301 A1H2L A H8   
2294 H  H10  . A1H2L B .   ? 0.18914361 0.27800596 0.39932644 0.04252887  -0.02392713 0.00966462  301 A1H2L A H10  
2295 H  H9   . A1H2L B .   ? 0.18939899 0.27873474 0.39951569 0.04296721  -0.02355846 0.00975681  301 A1H2L A H9   
2296 H  H13  . A1H2L B .   ? 0.18659073 0.27088720 0.39450270 0.03613668  -0.01734426 0.01580966  301 A1H2L A H13  
2297 H  H18  . A1H2L B .   ? 0.14202905 0.20840369 0.35376886 0.02600569  -0.00986549 -0.00030557 301 A1H2L A H18  
2298 H  H21  . A1H2L B .   ? 0.20421229 0.22960840 0.42007163 -0.01049769 0.00005697  -0.00888301 301 A1H2L A H21  
2299 H  H23  . A1H2L B .   ? 0.18027195 0.21741907 0.38369474 0.00854050  0.00342826  -0.00559920 301 A1H2L A H23  
2300 H  H2   . A1H2L B .   ? 0.19433159 0.23576038 0.39008263 0.02277023  -0.00281473 0.01256490  301 A1H2L A H2   
2301 H  H3   . A1H2L B .   ? 0.19439235 0.23544575 0.39054886 0.02268091  -0.00212043 0.01304099  301 A1H2L A H3   
2302 H  H1   . A1H2L B .   ? 0.19697312 0.23536846 0.38951051 0.02204178  -0.00299493 0.01292341  301 A1H2L A H1   
2303 H  H4   . A1H2L B .   ? 0.16765064 0.22126107 0.37124923 0.02498709  -0.00660848 0.00746012  301 A1H2L A H4   
2304 H  H5   . A1H2L B .   ? 0.16673958 0.21374485 0.36755520 0.02921363  -0.01112406 0.00811758  301 A1H2L A H5   
2305 H  H11  . A1H2L B .   ? 0.19974779 0.27781039 0.40141422 0.04546031  -0.02355441 0.01185154  301 A1H2L A H11  
2306 H  H12  . A1H2L B .   ? 0.19937204 0.27746597 0.40136835 0.04509863  -0.02389411 0.01145751  301 A1H2L A H12  
2307 H  H14  . A1H2L B .   ? 0.14023711 0.20661525 0.35193264 0.03205696  -0.01152837 -0.00247885 301 A1H2L A H14  
2308 H  H15  . A1H2L B .   ? 0.12860954 0.21205771 0.34833544 0.03259493  -0.01323433 -0.00547124 301 A1H2L A H15  
2309 H  H16  . A1H2L B .   ? 0.12875132 0.21263422 0.34826949 0.03232197  -0.01326974 -0.00549880 301 A1H2L A H16  
2310 H  H17  . A1H2L B .   ? 0.22850458 0.22850458 0.22850458 0.00000000  0.00000000  0.00000000  301 A1H2L A H17  
2311 H  H19  . A1H2L B .   ? 0.22507232 0.22507232 0.22507232 0.00000000  0.00000000  0.00000000  301 A1H2L A H19  
2312 H  H20  . A1H2L B .   ? 0.15828215 0.21627201 0.36645246 0.02075128  -0.00529343 0.00150775  301 A1H2L A H20  
2313 H  H22  . A1H2L B .   ? 0.21479243 0.24013744 0.43068182 -0.01371400 -0.00241868 -0.00982268 301 A1H2L A H22  
2314 S  S    . SCN   C .   ? 0.47871748 0.41285080 0.57369906 0.09484793  0.09657407  0.06876236  302 SCN   A S    
2315 C  C    . SCN   C .   ? 0.51232266 0.41764501 0.56977093 0.07362209  0.08829790  0.07321502  302 SCN   A C    
2316 N  N    . SCN   C .   ? 0.53371745 0.42645997 0.58575034 0.05518221  0.09573114  0.07442419  302 SCN   A N    
2317 CL CL   . CL    D .   ? 0.33726448 0.43164518 0.61337131 -0.11090035 -0.03211563 0.04557015  303 CL    A CL   
2318 O  O    . HOH   E .   ? 0.29253075 0.40545762 0.42359412 0.09241043  -0.03171851 -0.10857773 401 HOH   A O    
2319 O  O    . HOH   E .   ? 0.58662635 0.39305857 0.74026436 0.04684395  0.03695861  0.10067076  402 HOH   A O    
2320 O  O    . HOH   E .   ? 0.46619451 0.35228097 0.63763398 -0.20340455 0.24303244  -0.19631203 403 HOH   A O    
2321 O  O    . HOH   E .   ? 0.19085078 0.22116120 0.43669543 -0.02514020 0.01268653  -0.02395001 404 HOH   A O    
2322 O  O    . HOH   E .   ? 0.13535438 0.36359233 0.42695028 0.01874153  -0.00986254 -0.05043374 405 HOH   A O    
2323 O  O    . HOH   E .   ? 0.30330127 0.30434895 0.48347104 0.02810048  0.03555639  -0.02498946 406 HOH   A O    
2324 O  O    . HOH   E .   ? 0.38035363 0.43913513 0.44743079 0.12903380  -0.03691044 -0.10892926 407 HOH   A O    
2325 O  O    . HOH   E .   ? 0.26303238 0.33806646 0.44087803 0.00696250  0.05893723  -0.07507984 408 HOH   A O    
2326 O  O    . HOH   E .   ? 0.46765780 0.43106610 0.54147708 -0.04929546 0.10844658  -0.07565667 409 HOH   A O    
2327 O  O    . HOH   E .   ? 0.18857744 0.44379321 0.47551531 0.13173217  0.00122803  -0.02698527 410 HOH   A O    
2328 O  O    . HOH   E .   ? 0.30025196 0.66845739 0.54141021 0.10870671  -0.05936006 -0.11637500 411 HOH   A O    
2329 O  O    . HOH   E .   ? 0.21109906 0.34010348 0.54230237 -0.03218539 -0.04105625 0.01141329  412 HOH   A O    
2330 O  O    . HOH   E .   ? 0.20774277 0.38913867 0.47694486 -0.00188459 0.00261850  0.01434978  413 HOH   A O    
2331 O  O    . HOH   E .   ? 0.26104084 0.27343768 0.54830021 -0.07544487 0.02644290  -0.06356405 414 HOH   A O    
2332 O  O    . HOH   E .   ? 0.24783880 0.26951703 0.46465269 0.02231091  -0.00473374 -0.00297274 415 HOH   A O    
2333 O  O    . HOH   E .   ? 0.25471196 0.22326364 0.49109253 -0.05459284 -0.03194670 -0.07075121 416 HOH   A O    
2334 O  O    . HOH   E .   ? 0.17762958 0.23167193 0.44413984 0.03353899  -0.02423983 -0.00550390 417 HOH   A O    
2335 O  O    . HOH   E .   ? 0.17465490 0.22117548 0.36343193 -0.01498138 0.00355955  0.02530303  418 HOH   A O    
2336 O  O    . HOH   E .   ? 0.19781028 0.27439034 0.37538978 -0.03350670 0.04020543  0.02143212  419 HOH   A O    
2337 O  O    . HOH   E .   ? 0.14462450 0.23727998 0.43057653 0.01545587  -0.01215615 0.03732649  420 HOH   A O    
2338 O  O    . HOH   E .   ? 0.09906386 0.18540922 0.38916975 -0.06447143 0.00438952  0.01539859  421 HOH   A O    
2339 O  O    . HOH   E .   ? 0.52531540 0.41064644 0.58783990 0.09524228  0.11066085  -0.05697531 422 HOH   A O    
2340 O  O    . HOH   E .   ? 0.16757150 0.57775581 0.52460730 0.04718326  0.00708166  0.02916992  423 HOH   A O    
2341 O  O    . HOH   E .   ? 0.15313265 0.29935905 0.39097828 0.00377720  -0.00531083 -0.00256647 424 HOH   A O    
2342 O  O    . HOH   E .   ? 0.17169230 0.67559695 0.51396602 -0.02066077 -0.06512064 0.06936140  425 HOH   A O    
2343 O  O    . HOH   E .   ? 0.23820472 0.32785314 0.75708199 0.04843307  -0.13560650 -0.12759444 426 HOH   A O    
2344 O  O    . HOH   E .   ? 0.24566245 0.77751184 0.53948730 -0.14964442 0.01582056  -0.07660792 427 HOH   A O    
2345 O  O    . HOH   E .   ? 0.19704516 0.26302549 0.55208695 0.06743645  0.00837857  -0.02420527 428 HOH   A O    
2346 O  O    . HOH   E .   ? 0.33236313 0.49520111 0.65563488 0.02255229  0.15086392  0.11851718  429 HOH   A O    
2347 O  O    . HOH   E .   ? 0.21660781 0.59190190 0.67804837 -0.13249981 -0.13777068 0.19431454  430 HOH   A O    
2348 O  O    . HOH   E .   ? 0.12570192 0.25631019 0.32353628 0.02764515  -0.02052942 -0.04469258 431 HOH   A O    
2349 O  O    . HOH   E .   ? 0.16936703 0.23313242 0.34084141 0.04883562  -0.00118867 0.03662104  432 HOH   A O    
2350 O  O    . HOH   E .   ? 0.32582870 0.31715021 0.52782774 0.03135133  0.01780138  0.01932813  433 HOH   A O    
2351 O  O    . HOH   E .   ? 0.39596063 0.70762420 0.71607167 -0.19667204 -0.07976456 -0.02467936 434 HOH   A O    
2352 O  O    . HOH   E .   ? 0.13396274 0.18143798 0.30798858 -0.02948877 0.01553901  0.00141243  435 HOH   A O    
2353 O  O    . HOH   E .   ? 0.32043201 0.45381856 0.57710600 -0.12321381 -0.02840846 0.16217236  436 HOH   A O    
2354 O  O    . HOH   E .   ? 0.16117108 0.30131492 0.53917164 0.01846758  0.02964896  0.00771361  437 HOH   A O    
2355 O  O    . HOH   E .   ? 0.21077406 0.45142058 0.61910981 0.01680212  0.09917974  0.02290507  438 HOH   A O    
2356 O  O    . HOH   E .   ? 0.28990331 0.29413062 0.52201915 0.07688361  -0.03370988 -0.07480308 439 HOH   A O    
2357 O  O    . HOH   E .   ? 0.19051418 0.23735929 0.41305491 0.02460470  0.00860741  -0.03345278 440 HOH   A O    
2358 O  O    . HOH   E .   ? 0.27461079 0.67825747 0.67494261 -0.06806353 -0.00462957 -0.02733973 441 HOH   A O    
2359 O  O    . HOH   E .   ? 0.35022739 0.54973203 0.46590626 0.05027649  0.01706976  0.09735149  442 HOH   A O    
2360 O  O    . HOH   E .   ? 0.36818552 0.36091301 0.61159980 -0.01310890 -0.06753221 -0.02831781 443 HOH   A O    
2361 O  O    . HOH   E .   ? 0.52924949 0.27493924 0.50328350 -0.12567046 -0.09680139 0.07081817  444 HOH   A O    
2362 O  O    . HOH   E .   ? 0.23113443 0.32209000 0.54297048 -0.09327585 0.11438929  -0.11677996 445 HOH   A O    
2363 O  O    . HOH   E .   ? 0.22365986 0.39337027 0.65029091 -0.02530608 0.11296569  0.00895258  446 HOH   A O    
2364 O  O    . HOH   E .   ? 0.53886998 0.40204594 0.49950171 -0.00554441 -0.01962835 -0.02517451 447 HOH   A O    
2365 O  O    . HOH   E .   ? 0.57170630 0.23135687 0.52222109 0.08829347  0.12525360  0.06150717  448 HOH   A O    
2366 O  O    . HOH   E .   ? 0.29994148 0.31028771 0.54064751 0.05072311  -0.02248066 0.04012961  449 HOH   A O    
2367 O  O    . HOH   E .   ? 0.59759355 0.70811164 0.64489436 -0.06395172 0.20972478  -0.13925196 450 HOH   A O    
2368 O  O    . HOH   E .   ? 0.30245405 0.50986969 0.54717898 0.07725899  0.03188411  0.08098826  451 HOH   A O    
2369 O  O    . HOH   E .   ? 0.06963702 0.38063908 0.50367004 0.00523293  0.01049389  -0.08977118 452 HOH   A O    
2370 O  O    . HOH   E .   ? 0.30098152 0.37622157 0.45389763 -0.03656976 -0.02509529 -0.04359376 453 HOH   A O    
2371 O  O    . HOH   E .   ? 0.13171601 0.40261382 0.57904732 0.04313963  0.03883122  -0.11212392 454 HOH   A O    
2372 O  O    . HOH   E .   ? 0.18130448 0.29242221 0.35451621 0.10450035  -0.04395866 0.00000922  455 HOH   A O    
2373 O  O    . HOH   E .   ? 0.52236503 0.24832204 0.49802011 -0.03430043 -0.07729836 0.03294329  456 HOH   A O    
2374 O  O    . HOH   E .   ? 0.17263798 0.24914227 0.47684321 0.03032183  -0.02663003 0.02357500  457 HOH   A O    
2375 O  O    . HOH   E .   ? 0.27301472 0.30102262 0.71056831 0.06915880  0.02332836  -0.09075914 458 HOH   A O    
2376 O  O    . HOH   E .   ? 0.32184353 0.30105984 0.58484191 -0.12720485 0.02431575  0.00758384  459 HOH   A O    
2377 O  O    . HOH   E .   ? 0.32336843 0.61772066 0.47764406 -0.16013727 -0.06156981 0.12107338  460 HOH   A O    
2378 O  O    . HOH   E .   ? 0.36114568 0.42714870 0.51393086 -0.12630878 0.03814438  -0.06498168 461 HOH   A O    
2379 O  O    . HOH   E .   ? 0.37745535 0.42720780 0.45625198 0.11028241  0.01912283  -0.09586968 462 HOH   A O    
2380 O  O    . HOH   E .   ? 0.31249553 0.36554149 0.60543841 -0.08433255 0.09610263  0.01617397  463 HOH   A O    
2381 O  O    . HOH   E .   ? 0.51785046 0.39800143 0.50647432 -0.05256331 0.00456953  0.03935661  464 HOH   A O    
2382 O  O    . HOH   E .   ? 0.27211484 0.54786497 0.75305557 -0.01213115 0.10552885  -0.01522259 465 HOH   A O    
2383 O  O    . HOH   E .   ? 0.29618290 0.32804713 0.72696942 0.06265195  0.00495798  -0.05202250 466 HOH   A O    
2384 O  O    . HOH   E .   ? 0.32253939 0.37123942 0.36593172 -0.06154225 0.02146603  0.05415724  467 HOH   A O    
2385 O  O    . HOH   E .   ? 0.29759368 0.45907462 0.60970408 -0.04187933 -0.07581161 -0.03930493 468 HOH   A O    
2386 O  O    . HOH   E .   ? 0.23273885 0.30105311 0.60773659 -0.11250467 0.03821286  -0.04102532 469 HOH   A O    
2387 O  O    . HOH   E .   ? 0.14709431 0.19502516 0.33477557 0.01066003  -0.00401558 0.00601462  470 HOH   A O    
2388 O  O    . HOH   E .   ? 0.46249032 0.65987158 0.85503829 -0.13082796 0.36221978  0.10357815  471 HOH   A O    
2389 O  O    . HOH   E .   ? 0.49429548 0.36375669 0.56194943 -0.08333814 0.14652583  -0.08331245 472 HOH   A O    
2390 O  O    . HOH   E .   ? 0.12749358 0.44023609 0.52032107 0.02596702  -0.00601922 0.10261285  473 HOH   A O    
2391 O  O    . HOH   E .   ? 0.78649682 0.28543484 0.47447008 0.01654490  -0.17953275 -0.06987950 474 HOH   A O    
2392 O  O    . HOH   E .   ? 0.33372736 0.30102915 0.66135383 0.02564742  -0.19242370 -0.10100953 475 HOH   A O    
2393 O  O    . HOH   E .   ? 0.72486150 0.29598451 0.65860605 0.12870823  0.18635342  0.03879806  476 HOH   A O    
2394 O  O    . HOH   E .   ? 0.48804548 0.82030773 0.83374286 0.09495649  -0.03951709 0.09907401  477 HOH   A O    
2395 O  O    . HOH   E .   ? 0.18121970 0.31962460 0.58392638 0.02662973  0.00256222  0.04539024  478 HOH   A O    
2396 O  O    . HOH   E .   ? 0.30993590 0.34522191 0.52017373 -0.22109295 0.07240076  -0.05812842 479 HOH   A O    
2397 O  O    . HOH   E .   ? 0.50655162 0.41663164 0.43454936 0.15050936  -0.03043901 -0.02508897 480 HOH   A O    
# 
