data_8RRF
# 
_entry.id   8RRF 
# 
_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   8RRF         pdb_00008rrf 10.2210/pdb8rrf/pdb 
WWPDB D_1292136027 ?            ?                   
# 
_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                        8RRF 
_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 'THIOCYANATE ION' 58.082    2   ? ? ? ? 
3 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[3-(fluoranylmethyl)oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
544.911   1   ? ? ? ? 
4 non-polymer syn 'CHLORIDE ION' 35.453    1   ? ? ? ? 
5 water       nat water 18.015    102 ? ? ? ? 
# 
_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 'THIOCYANATE ION' SCN   
3 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[3-(fluoranylmethyl)oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
A1H2M 
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 
A1H2M non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[3-(fluoranylmethyl)oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
? 'C22 H24 Cl F3 N6 O5' 544.911 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'          89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'      175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'         132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'          133.103 
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        A1H2M 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2M 
_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 SCN   1   301 301 SCN   SCN A . 
C 3 A1H2M 1   302 401 A1H2M LIG A . 
D 2 SCN   1   303 501 SCN   SCN A . 
E 4 CL    1   304 1   CL    CL  A . 
F 5 HOH   1   401 108 HOH   HOH A . 
F 5 HOH   2   402 121 HOH   HOH A . 
F 5 HOH   3   403 80  HOH   HOH A . 
F 5 HOH   4   404 52  HOH   HOH A . 
F 5 HOH   5   405 92  HOH   HOH A . 
F 5 HOH   6   406 13  HOH   HOH A . 
F 5 HOH   7   407 23  HOH   HOH A . 
F 5 HOH   8   408 47  HOH   HOH A . 
F 5 HOH   9   409 66  HOH   HOH A . 
F 5 HOH   10  410 9   HOH   HOH A . 
F 5 HOH   11  411 12  HOH   HOH A . 
F 5 HOH   12  412 64  HOH   HOH A . 
F 5 HOH   13  413 40  HOH   HOH A . 
F 5 HOH   14  414 43  HOH   HOH A . 
F 5 HOH   15  415 19  HOH   HOH A . 
F 5 HOH   16  416 73  HOH   HOH A . 
F 5 HOH   17  417 86  HOH   HOH A . 
F 5 HOH   18  418 11  HOH   HOH A . 
F 5 HOH   19  419 6   HOH   HOH A . 
F 5 HOH   20  420 107 HOH   HOH A . 
F 5 HOH   21  421 27  HOH   HOH A . 
F 5 HOH   22  422 5   HOH   HOH A . 
F 5 HOH   23  423 117 HOH   HOH A . 
F 5 HOH   24  424 38  HOH   HOH A . 
F 5 HOH   25  425 99  HOH   HOH A . 
F 5 HOH   26  426 111 HOH   HOH A . 
F 5 HOH   27  427 14  HOH   HOH A . 
F 5 HOH   28  428 83  HOH   HOH A . 
F 5 HOH   29  429 36  HOH   HOH A . 
F 5 HOH   30  430 42  HOH   HOH A . 
F 5 HOH   31  431 17  HOH   HOH A . 
F 5 HOH   32  432 28  HOH   HOH A . 
F 5 HOH   33  433 29  HOH   HOH A . 
F 5 HOH   34  434 89  HOH   HOH A . 
F 5 HOH   35  435 96  HOH   HOH A . 
F 5 HOH   36  436 98  HOH   HOH A . 
F 5 HOH   37  437 69  HOH   HOH A . 
F 5 HOH   38  438 45  HOH   HOH A . 
F 5 HOH   39  439 109 HOH   HOH A . 
F 5 HOH   40  440 21  HOH   HOH A . 
F 5 HOH   41  441 101 HOH   HOH A . 
F 5 HOH   42  442 112 HOH   HOH A . 
F 5 HOH   43  443 88  HOH   HOH A . 
F 5 HOH   44  444 30  HOH   HOH A . 
F 5 HOH   45  445 15  HOH   HOH A . 
F 5 HOH   46  446 46  HOH   HOH A . 
F 5 HOH   47  447 26  HOH   HOH A . 
F 5 HOH   48  448 32  HOH   HOH A . 
F 5 HOH   49  449 33  HOH   HOH A . 
F 5 HOH   50  450 62  HOH   HOH A . 
F 5 HOH   51  451 51  HOH   HOH A . 
F 5 HOH   52  452 93  HOH   HOH A . 
F 5 HOH   53  453 2   HOH   HOH A . 
F 5 HOH   54  454 4   HOH   HOH A . 
F 5 HOH   55  455 72  HOH   HOH A . 
F 5 HOH   56  456 78  HOH   HOH A . 
F 5 HOH   57  457 10  HOH   HOH A . 
F 5 HOH   58  458 7   HOH   HOH A . 
F 5 HOH   59  459 94  HOH   HOH A . 
F 5 HOH   60  460 20  HOH   HOH A . 
F 5 HOH   61  461 114 HOH   HOH A . 
F 5 HOH   62  462 18  HOH   HOH A . 
F 5 HOH   63  463 100 HOH   HOH A . 
F 5 HOH   64  464 75  HOH   HOH A . 
F 5 HOH   65  465 120 HOH   HOH A . 
F 5 HOH   66  466 95  HOH   HOH A . 
F 5 HOH   67  467 59  HOH   HOH A . 
F 5 HOH   68  468 71  HOH   HOH A . 
F 5 HOH   69  469 84  HOH   HOH A . 
F 5 HOH   70  470 76  HOH   HOH A . 
F 5 HOH   71  471 110 HOH   HOH A . 
F 5 HOH   72  472 37  HOH   HOH A . 
F 5 HOH   73  473 3   HOH   HOH A . 
F 5 HOH   74  474 24  HOH   HOH A . 
F 5 HOH   75  475 34  HOH   HOH A . 
F 5 HOH   76  476 16  HOH   HOH A . 
F 5 HOH   77  477 97  HOH   HOH A . 
F 5 HOH   78  478 58  HOH   HOH A . 
F 5 HOH   79  479 44  HOH   HOH A . 
F 5 HOH   80  480 55  HOH   HOH A . 
F 5 HOH   81  481 61  HOH   HOH A . 
F 5 HOH   82  482 22  HOH   HOH A . 
F 5 HOH   83  483 79  HOH   HOH A . 
F 5 HOH   84  484 63  HOH   HOH A . 
F 5 HOH   85  485 31  HOH   HOH A . 
F 5 HOH   86  486 74  HOH   HOH A . 
F 5 HOH   87  487 35  HOH   HOH A . 
F 5 HOH   88  488 68  HOH   HOH A . 
F 5 HOH   89  489 1   HOH   HOH A . 
F 5 HOH   90  490 8   HOH   HOH A . 
F 5 HOH   91  491 91  HOH   HOH A . 
F 5 HOH   92  492 81  HOH   HOH A . 
F 5 HOH   93  493 54  HOH   HOH A . 
F 5 HOH   94  494 56  HOH   HOH A . 
F 5 HOH   95  495 65  HOH   HOH A . 
F 5 HOH   96  496 82  HOH   HOH A . 
F 5 HOH   97  497 119 HOH   HOH A . 
F 5 HOH   98  498 41  HOH   HOH A . 
F 5 HOH   99  499 122 HOH   HOH A . 
F 5 HOH   100 500 39  HOH   HOH A . 
F 5 HOH   101 501 77  HOH   HOH A . 
F 5 HOH   102 502 57  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 227 ? CD ? A LYS 115 CD 
2 1 Y 1 A LYS 227 ? CE ? A LYS 115 CE 
3 1 Y 1 A LYS 227 ? NZ ? A LYS 115 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                     8RRF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.480 
_cell.length_a_esd                 ? 
_cell.length_b                     57.320 
_cell.length_b_esd                 ? 
_cell.length_c                     61.640 
_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                         8RRF 
_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                   8RRF 
_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             1.94 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.59 
_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                                       8RRF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.15 
_reflns.d_resolution_low                               30.092 
_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                                     82842 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.37 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.73 
_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                                0.061 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.15 
_reflns_shell.d_res_low                                     1.22 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.77 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             13022 
_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                               1.70 
_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                                  0.26 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95.9 
_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]                            2.733 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -2.705 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.027 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               15.699 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.972 
_refine.correlation_coeff_Fo_to_Fc_free          0.971 
_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                                 8RRF 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.250 
_refine.ls_d_res_low                             30.092 
_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                     34480 
_refine.ls_number_reflns_R_free                  1720 
_refine.ls_number_reflns_R_work                  32760 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.748 
_refine.ls_percent_reflns_R_free                 4.988 
_refine.ls_R_factor_all                          0.176 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1979 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1745 
_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                       0.056 
_refine.pdbx_overall_ESU_R_Free                  0.051 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.793 
_refine.overall_SU_ML                            0.050 
_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         44 
_refine_hist.number_atoms_solvent             102 
_refine_hist.number_atoms_total               1249 
_refine_hist.d_res_high                       1.250 
_refine_hist.d_res_low                        30.092 
# 
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  1275 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1191 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.625  1.848  1750 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.500  1.765  2741 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.476  5.000  158  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 5.304  5.000  11   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.003 10.000 201  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.761 10.000 64   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.059  0.200  182  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.466  0.200  6    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.004  0.020  1570 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  316  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.183  0.200  165  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  991  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.161  0.200  553  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.078  0.200  600  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.095  0.200  71   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.102  0.200  14   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.150  0.200  63   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  20   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.809  1.556  604  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.801  1.551  602  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.857  2.795  767  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.857  2.796  768  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.185  1.724  671  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.181  1.722  671  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.504  3.108  980  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.501  3.104  980  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 8.525  20.202 1295 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.893  17.859 1276 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.409  3.000  2466 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.250 1.282  . . 129 2415 99.4527  . . . . 0.284 . . . . . . . . . . . 0.259 
'X-RAY DIFFRACTION' 1.282 1.317  . . 112 2301 99.5462  . . . . 0.260 . . . . . . . . . . . 0.310 
'X-RAY DIFFRACTION' 1.317 1.356  . . 102 2254 99.6616  . . . . 0.265 . . . . . . . . . . . 0.378 
'X-RAY DIFFRACTION' 1.356 1.397  . . 85  2233 99.7848  . . . . 0.236 . . . . . . . . . . . 0.296 
'X-RAY DIFFRACTION' 1.397 1.443  . . 119 2127 99.6893  . . . . 0.207 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.443 1.494  . . 128 2045 99.9081  . . . . 0.197 . . . . . . . . . . . 0.210 
'X-RAY DIFFRACTION' 1.494 1.550  . . 106 2002 99.9526  . . . . 0.195 . . . . . . . . . . . 0.207 
'X-RAY DIFFRACTION' 1.550 1.613  . . 121 1888 100.0000 . . . . 0.182 . . . . . . . . . . . 0.212 
'X-RAY DIFFRACTION' 1.613 1.684  . . 92  1884 100.0000 . . . . 0.172 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 1.684 1.766  . . 100 1744 99.9458  . . . . 0.172 . . . . . . . . . . . 0.179 
'X-RAY DIFFRACTION' 1.766 1.862  . . 86  1706 99.7773  . . . . 0.168 . . . . . . . . . . . 0.184 
'X-RAY DIFFRACTION' 1.862 1.974  . . 84  1605 99.8817  . . . . 0.154 . . . . . . . . . . . 0.183 
'X-RAY DIFFRACTION' 1.974 2.110  . . 87  1497 99.8739  . . . . 0.150 . . . . . . . . . . . 0.183 
'X-RAY DIFFRACTION' 2.110 2.278  . . 83  1417 99.8668  . . . . 0.153 . . . . . . . . . . . 0.202 
'X-RAY DIFFRACTION' 2.278 2.494  . . 89  1283 100.0000 . . . . 0.162 . . . . . . . . . . . 0.218 
'X-RAY DIFFRACTION' 2.494 2.786  . . 44  1208 99.8405  . . . . 0.180 . . . . . . . . . . . 0.215 
'X-RAY DIFFRACTION' 2.786 3.213  . . 48  1073 99.4676  . . . . 0.164 . . . . . . . . . . . 0.210 
'X-RAY DIFFRACTION' 3.213 3.924  . . 59  891  99.1649  . . . . 0.153 . . . . . . . . . . . 0.180 
'X-RAY DIFFRACTION' 3.924 5.505  . . 24  738  99.8689  . . . . 0.155 . . . . . . . . . . . 0.134 
'X-RAY DIFFRACTION' 5.505 30.092 . . 22  443  98.1013  . . . . 0.220 . . . . . . . . . . . 0.172 
# 
_struct.entry_id                     8RRF 
_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        8RRF 
_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 2 ? 
E N N 4 ? 
F 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              8RRF 
_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)' 530  ? 
1 MORE         -17  ? 
1 'SSA (A^2)'  7190 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        115 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        119 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    5 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     117 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.35 
# 
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 GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
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 GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 107 ? O LEU A 219 N VAL A 99  ? N VAL A 211 
AA3 2 3 O LYS A 98  ? O LYS A 210 N LEU A 91  ? N LEU A 203 
AA3 3 4 O VAL A 90  ? O VAL A 202 N ILE A 20  ? N ILE A 132 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RRF 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 129 ? ? 89.33   -1.39 
2 1 ASN A 164 ? A -151.24 74.74 
3 1 ASN A 164 ? B -151.53 51.50 
# 
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 
A1H2M N1   N  Y N 1   
A1H2M N3   N  Y N 2   
A1H2M C4   C  N N 3   
A1H2M C5   C  Y N 4   
A1H2M C6   C  Y N 5   
A1H2M C7   C  N N 6   
A1H2M C8   C  N N 7   
A1H2M C10  C  N N 8   
A1H2M C13  C  N R 9   
A1H2M C15  C  Y N 10  
A1H2M C17  C  Y N 11  
A1H2M C20  C  Y N 12  
A1H2M C21  C  Y N 13  
A1H2M C22  C  Y N 14  
A1H2M C1   C  N N 15  
A1H2M O1   O  N N 16  
A1H2M C2   C  N R 17  
A1H2M C3   C  N R 18  
A1H2M F1   F  N N 19  
A1H2M C9   C  N N 20  
A1H2M O2   O  N N 21  
A1H2M N2   N  Y N 22  
A1H2M O3   O  N N 23  
A1H2M C11  C  N R 24  
A1H2M C12  C  N N 25  
A1H2M O4   O  N N 26  
A1H2M O5   O  N N 27  
A1H2M C14  C  N S 28  
A1H2M N4   N  Y N 29  
A1H2M N5   N  Y N 30  
A1H2M N6   N  Y N 31  
A1H2M C16  C  Y N 32  
A1H2M C18  C  Y N 33  
A1H2M C19  C  Y N 34  
A1H2M CL1  CL N N 35  
A1H2M F2   F  N N 36  
A1H2M F3   F  N N 37  
A1H2M H7   H  N N 38  
A1H2M H6   H  N N 39  
A1H2M H8   H  N N 40  
A1H2M H9   H  N N 41  
A1H2M H10  H  N N 42  
A1H2M H13  H  N N 43  
A1H2M H14  H  N N 44  
A1H2M H19  H  N N 45  
A1H2M H22  H  N N 46  
A1H2M H24  H  N N 47  
A1H2M H2   H  N N 48  
A1H2M H3   H  N N 49  
A1H2M H1   H  N N 50  
A1H2M H4   H  N N 51  
A1H2M H5   H  N N 52  
A1H2M H12  H  N N 53  
A1H2M H11  H  N N 54  
A1H2M H15  H  N N 55  
A1H2M H16  H  N N 56  
A1H2M H17  H  N N 57  
A1H2M H18  H  N N 58  
A1H2M H20  H  N N 59  
A1H2M H21  H  N N 60  
A1H2M H23  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
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 
A1H2M N3  N2   doub Y N 1   
A1H2M N3  C5   sing Y N 2   
A1H2M N2  N1   sing Y N 3   
A1H2M C9  C7   sing N N 4   
A1H2M C9  O2   sing N N 5   
A1H2M C5  C4   sing N N 6   
A1H2M C5  C6   doub Y N 7   
A1H2M N1  C7   sing N N 8   
A1H2M N1  C6   sing Y N 9   
A1H2M C4  C3   sing N N 10  
A1H2M C8  C7   sing N N 11  
A1H2M C8  F1   sing N N 12  
A1H2M C7  C10  sing N N 13  
A1H2M N5  N6   doub Y N 14  
A1H2M N5  N4   sing Y N 15  
A1H2M N6  C15  sing Y N 16  
A1H2M O1  C1   sing N N 17  
A1H2M O1  C2   sing N N 18  
A1H2M O2  C10  sing N N 19  
A1H2M C14 N4   sing N N 20  
A1H2M C14 C2   sing N N 21  
A1H2M C14 C13  sing N N 22  
A1H2M C3  C2   sing N N 23  
A1H2M C3  O3   sing N N 24  
A1H2M N4  C22  sing Y N 25  
A1H2M C17 C18  doub Y N 26  
A1H2M C17 C16  sing Y N 27  
A1H2M C15 C22  doub Y N 28  
A1H2M C15 C16  sing N N 29  
A1H2M C11 C13  sing N N 30  
A1H2M C11 O3   sing N N 31  
A1H2M C11 C12  sing N N 32  
A1H2M C13 O5   sing N N 33  
A1H2M C18 C19  sing Y N 34  
A1H2M C16 C21  doub Y N 35  
A1H2M O4  C12  sing N N 36  
A1H2M C19 CL1  sing N N 37  
A1H2M C19 C20  doub Y N 38  
A1H2M C21 C20  sing Y N 39  
A1H2M C21 F3   sing N N 40  
A1H2M C20 F2   sing N N 41  
A1H2M C4  H7   sing N N 42  
A1H2M C4  H6   sing N N 43  
A1H2M C6  H8   sing N N 44  
A1H2M C8  H9   sing N N 45  
A1H2M C8  H10  sing N N 46  
A1H2M C10 H13  sing N N 47  
A1H2M C10 H14  sing N N 48  
A1H2M C13 H19  sing N N 49  
A1H2M C17 H22  sing N N 50  
A1H2M C22 H24  sing N N 51  
A1H2M C1  H2   sing N N 52  
A1H2M C1  H3   sing N N 53  
A1H2M C1  H1   sing N N 54  
A1H2M C2  H4   sing N N 55  
A1H2M C3  H5   sing N N 56  
A1H2M C9  H12  sing N N 57  
A1H2M C9  H11  sing N N 58  
A1H2M C11 H15  sing N N 59  
A1H2M C12 H16  sing N N 60  
A1H2M C12 H17  sing N N 61  
A1H2M O4  H18  sing N N 62  
A1H2M O5  H20  sing N N 63  
A1H2M C14 H21  sing N N 64  
A1H2M C18 H23  sing N N 65  
ALA   N   CA   sing N N 66  
ALA   N   H    sing N N 67  
ALA   N   H2   sing N N 68  
ALA   CA  C    sing N N 69  
ALA   CA  CB   sing N N 70  
ALA   CA  HA   sing N N 71  
ALA   C   O    doub N N 72  
ALA   C   OXT  sing N N 73  
ALA   CB  HB1  sing N N 74  
ALA   CB  HB2  sing N N 75  
ALA   CB  HB3  sing N N 76  
ALA   OXT HXT  sing N N 77  
ARG   N   CA   sing N N 78  
ARG   N   H    sing N N 79  
ARG   N   H2   sing N N 80  
ARG   CA  C    sing N N 81  
ARG   CA  CB   sing N N 82  
ARG   CA  HA   sing N N 83  
ARG   C   O    doub N N 84  
ARG   C   OXT  sing N N 85  
ARG   CB  CG   sing N N 86  
ARG   CB  HB2  sing N N 87  
ARG   CB  HB3  sing N N 88  
ARG   CG  CD   sing N N 89  
ARG   CG  HG2  sing N N 90  
ARG   CG  HG3  sing N N 91  
ARG   CD  NE   sing N N 92  
ARG   CD  HD2  sing N N 93  
ARG   CD  HD3  sing N N 94  
ARG   NE  CZ   sing N N 95  
ARG   NE  HE   sing N N 96  
ARG   CZ  NH1  sing N N 97  
ARG   CZ  NH2  doub N N 98  
ARG   NH1 HH11 sing N N 99  
ARG   NH1 HH12 sing N N 100 
ARG   NH2 HH21 sing N N 101 
ARG   NH2 HH22 sing N N 102 
ARG   OXT HXT  sing N N 103 
ASN   N   CA   sing N N 104 
ASN   N   H    sing N N 105 
ASN   N   H2   sing N N 106 
ASN   CA  C    sing N N 107 
ASN   CA  CB   sing N N 108 
ASN   CA  HA   sing N N 109 
ASN   C   O    doub N N 110 
ASN   C   OXT  sing N N 111 
ASN   CB  CG   sing N N 112 
ASN   CB  HB2  sing N N 113 
ASN   CB  HB3  sing N N 114 
ASN   CG  OD1  doub N N 115 
ASN   CG  ND2  sing N N 116 
ASN   ND2 HD21 sing N N 117 
ASN   ND2 HD22 sing N N 118 
ASN   OXT HXT  sing N N 119 
ASP   N   CA   sing N N 120 
ASP   N   H    sing N N 121 
ASP   N   H2   sing N N 122 
ASP   CA  C    sing N N 123 
ASP   CA  CB   sing N N 124 
ASP   CA  HA   sing N N 125 
ASP   C   O    doub N N 126 
ASP   C   OXT  sing N N 127 
ASP   CB  CG   sing N N 128 
ASP   CB  HB2  sing N N 129 
ASP   CB  HB3  sing N N 130 
ASP   CG  OD1  doub N N 131 
ASP   CG  OD2  sing N N 132 
ASP   OD2 HD2  sing N N 133 
ASP   OXT HXT  sing N N 134 
CYS   N   CA   sing N N 135 
CYS   N   H    sing N N 136 
CYS   N   H2   sing N N 137 
CYS   CA  C    sing N N 138 
CYS   CA  CB   sing N N 139 
CYS   CA  HA   sing N N 140 
CYS   C   O    doub N N 141 
CYS   C   OXT  sing N N 142 
CYS   CB  SG   sing N N 143 
CYS   CB  HB2  sing N N 144 
CYS   CB  HB3  sing N N 145 
CYS   SG  HG   sing N N 146 
CYS   OXT HXT  sing N N 147 
GLN   N   CA   sing N N 148 
GLN   N   H    sing N N 149 
GLN   N   H2   sing N N 150 
GLN   CA  C    sing N N 151 
GLN   CA  CB   sing N N 152 
GLN   CA  HA   sing N N 153 
GLN   C   O    doub N N 154 
GLN   C   OXT  sing N N 155 
GLN   CB  CG   sing N N 156 
GLN   CB  HB2  sing N N 157 
GLN   CB  HB3  sing N N 158 
GLN   CG  CD   sing N N 159 
GLN   CG  HG2  sing N N 160 
GLN   CG  HG3  sing N N 161 
GLN   CD  OE1  doub N N 162 
GLN   CD  NE2  sing N N 163 
GLN   NE2 HE21 sing N N 164 
GLN   NE2 HE22 sing N N 165 
GLN   OXT HXT  sing N N 166 
GLU   N   CA   sing N N 167 
GLU   N   H    sing N N 168 
GLU   N   H2   sing N N 169 
GLU   CA  C    sing N N 170 
GLU   CA  CB   sing N N 171 
GLU   CA  HA   sing N N 172 
GLU   C   O    doub N N 173 
GLU   C   OXT  sing N N 174 
GLU   CB  CG   sing N N 175 
GLU   CB  HB2  sing N N 176 
GLU   CB  HB3  sing N N 177 
GLU   CG  CD   sing N N 178 
GLU   CG  HG2  sing N N 179 
GLU   CG  HG3  sing N N 180 
GLU   CD  OE1  doub N N 181 
GLU   CD  OE2  sing N N 182 
GLU   OE2 HE2  sing N N 183 
GLU   OXT HXT  sing N N 184 
GLY   N   CA   sing N N 185 
GLY   N   H    sing N N 186 
GLY   N   H2   sing N N 187 
GLY   CA  C    sing N N 188 
GLY   CA  HA2  sing N N 189 
GLY   CA  HA3  sing N N 190 
GLY   C   O    doub N N 191 
GLY   C   OXT  sing N N 192 
GLY   OXT HXT  sing N N 193 
HIS   N   CA   sing N N 194 
HIS   N   H    sing N N 195 
HIS   N   H2   sing N N 196 
HIS   CA  C    sing N N 197 
HIS   CA  CB   sing N N 198 
HIS   CA  HA   sing N N 199 
HIS   C   O    doub N N 200 
HIS   C   OXT  sing N N 201 
HIS   CB  CG   sing N N 202 
HIS   CB  HB2  sing N N 203 
HIS   CB  HB3  sing N N 204 
HIS   CG  ND1  sing Y N 205 
HIS   CG  CD2  doub Y N 206 
HIS   ND1 CE1  doub Y N 207 
HIS   ND1 HD1  sing N N 208 
HIS   CD2 NE2  sing Y N 209 
HIS   CD2 HD2  sing N N 210 
HIS   CE1 NE2  sing Y N 211 
HIS   CE1 HE1  sing N N 212 
HIS   NE2 HE2  sing N N 213 
HIS   OXT HXT  sing N N 214 
HOH   O   H1   sing N N 215 
HOH   O   H2   sing N N 216 
ILE   N   CA   sing N N 217 
ILE   N   H    sing N N 218 
ILE   N   H2   sing N N 219 
ILE   CA  C    sing N N 220 
ILE   CA  CB   sing N N 221 
ILE   CA  HA   sing N N 222 
ILE   C   O    doub N N 223 
ILE   C   OXT  sing N N 224 
ILE   CB  CG1  sing N N 225 
ILE   CB  CG2  sing N N 226 
ILE   CB  HB   sing N N 227 
ILE   CG1 CD1  sing N N 228 
ILE   CG1 HG12 sing N N 229 
ILE   CG1 HG13 sing N N 230 
ILE   CG2 HG21 sing N N 231 
ILE   CG2 HG22 sing N N 232 
ILE   CG2 HG23 sing N N 233 
ILE   CD1 HD11 sing N N 234 
ILE   CD1 HD12 sing N N 235 
ILE   CD1 HD13 sing N N 236 
ILE   OXT HXT  sing N N 237 
LEU   N   CA   sing N N 238 
LEU   N   H    sing N N 239 
LEU   N   H2   sing N N 240 
LEU   CA  C    sing N N 241 
LEU   CA  CB   sing N N 242 
LEU   CA  HA   sing N N 243 
LEU   C   O    doub N N 244 
LEU   C   OXT  sing N N 245 
LEU   CB  CG   sing N N 246 
LEU   CB  HB2  sing N N 247 
LEU   CB  HB3  sing N N 248 
LEU   CG  CD1  sing N N 249 
LEU   CG  CD2  sing N N 250 
LEU   CG  HG   sing N N 251 
LEU   CD1 HD11 sing N N 252 
LEU   CD1 HD12 sing N N 253 
LEU   CD1 HD13 sing N N 254 
LEU   CD2 HD21 sing N N 255 
LEU   CD2 HD22 sing N N 256 
LEU   CD2 HD23 sing N N 257 
LEU   OXT HXT  sing N N 258 
LYS   N   CA   sing N N 259 
LYS   N   H    sing N N 260 
LYS   N   H2   sing N N 261 
LYS   CA  C    sing N N 262 
LYS   CA  CB   sing N N 263 
LYS   CA  HA   sing N N 264 
LYS   C   O    doub N N 265 
LYS   C   OXT  sing N N 266 
LYS   CB  CG   sing N N 267 
LYS   CB  HB2  sing N N 268 
LYS   CB  HB3  sing N N 269 
LYS   CG  CD   sing N N 270 
LYS   CG  HG2  sing N N 271 
LYS   CG  HG3  sing N N 272 
LYS   CD  CE   sing N N 273 
LYS   CD  HD2  sing N N 274 
LYS   CD  HD3  sing N N 275 
LYS   CE  NZ   sing N N 276 
LYS   CE  HE2  sing N N 277 
LYS   CE  HE3  sing N N 278 
LYS   NZ  HZ1  sing N N 279 
LYS   NZ  HZ2  sing N N 280 
LYS   NZ  HZ3  sing N N 281 
LYS   OXT HXT  sing N N 282 
MET   N   CA   sing N N 283 
MET   N   H    sing N N 284 
MET   N   H2   sing N N 285 
MET   CA  C    sing N N 286 
MET   CA  CB   sing N N 287 
MET   CA  HA   sing N N 288 
MET   C   O    doub N N 289 
MET   C   OXT  sing N N 290 
MET   CB  CG   sing N N 291 
MET   CB  HB2  sing N N 292 
MET   CB  HB3  sing N N 293 
MET   CG  SD   sing N N 294 
MET   CG  HG2  sing N N 295 
MET   CG  HG3  sing N N 296 
MET   SD  CE   sing N N 297 
MET   CE  HE1  sing N N 298 
MET   CE  HE2  sing N N 299 
MET   CE  HE3  sing N N 300 
MET   OXT HXT  sing N N 301 
PHE   N   CA   sing N N 302 
PHE   N   H    sing N N 303 
PHE   N   H2   sing N N 304 
PHE   CA  C    sing N N 305 
PHE   CA  CB   sing N N 306 
PHE   CA  HA   sing N N 307 
PHE   C   O    doub N N 308 
PHE   C   OXT  sing N N 309 
PHE   CB  CG   sing N N 310 
PHE   CB  HB2  sing N N 311 
PHE   CB  HB3  sing N N 312 
PHE   CG  CD1  doub Y N 313 
PHE   CG  CD2  sing Y N 314 
PHE   CD1 CE1  sing Y N 315 
PHE   CD1 HD1  sing N N 316 
PHE   CD2 CE2  doub Y N 317 
PHE   CD2 HD2  sing N N 318 
PHE   CE1 CZ   doub Y N 319 
PHE   CE1 HE1  sing N N 320 
PHE   CE2 CZ   sing Y N 321 
PHE   CE2 HE2  sing N N 322 
PHE   CZ  HZ   sing N N 323 
PHE   OXT HXT  sing N N 324 
PRO   N   CA   sing N N 325 
PRO   N   CD   sing N N 326 
PRO   N   H    sing N N 327 
PRO   CA  C    sing N N 328 
PRO   CA  CB   sing N N 329 
PRO   CA  HA   sing N N 330 
PRO   C   O    doub N N 331 
PRO   C   OXT  sing N N 332 
PRO   CB  CG   sing N N 333 
PRO   CB  HB2  sing N N 334 
PRO   CB  HB3  sing N N 335 
PRO   CG  CD   sing N N 336 
PRO   CG  HG2  sing N N 337 
PRO   CG  HG3  sing N N 338 
PRO   CD  HD2  sing N N 339 
PRO   CD  HD3  sing N N 340 
PRO   OXT HXT  sing N N 341 
SCN   S   C    sing N N 342 
SCN   C   N    trip N N 343 
SER   N   CA   sing N N 344 
SER   N   H    sing N N 345 
SER   N   H2   sing N N 346 
SER   CA  C    sing N N 347 
SER   CA  CB   sing N N 348 
SER   CA  HA   sing N N 349 
SER   C   O    doub N N 350 
SER   C   OXT  sing N N 351 
SER   CB  OG   sing N N 352 
SER   CB  HB2  sing N N 353 
SER   CB  HB3  sing N N 354 
SER   OG  HG   sing N N 355 
SER   OXT HXT  sing N N 356 
THR   N   CA   sing N N 357 
THR   N   H    sing N N 358 
THR   N   H2   sing N N 359 
THR   CA  C    sing N N 360 
THR   CA  CB   sing N N 361 
THR   CA  HA   sing N N 362 
THR   C   O    doub N N 363 
THR   C   OXT  sing N N 364 
THR   CB  OG1  sing N N 365 
THR   CB  CG2  sing N N 366 
THR   CB  HB   sing N N 367 
THR   OG1 HG1  sing N N 368 
THR   CG2 HG21 sing N N 369 
THR   CG2 HG22 sing N N 370 
THR   CG2 HG23 sing N N 371 
THR   OXT HXT  sing N N 372 
TRP   N   CA   sing N N 373 
TRP   N   H    sing N N 374 
TRP   N   H2   sing N N 375 
TRP   CA  C    sing N N 376 
TRP   CA  CB   sing N N 377 
TRP   CA  HA   sing N N 378 
TRP   C   O    doub N N 379 
TRP   C   OXT  sing N N 380 
TRP   CB  CG   sing N N 381 
TRP   CB  HB2  sing N N 382 
TRP   CB  HB3  sing N N 383 
TRP   CG  CD1  doub Y N 384 
TRP   CG  CD2  sing Y N 385 
TRP   CD1 NE1  sing Y N 386 
TRP   CD1 HD1  sing N N 387 
TRP   CD2 CE2  doub Y N 388 
TRP   CD2 CE3  sing Y N 389 
TRP   NE1 CE2  sing Y N 390 
TRP   NE1 HE1  sing N N 391 
TRP   CE2 CZ2  sing Y N 392 
TRP   CE3 CZ3  doub Y N 393 
TRP   CE3 HE3  sing N N 394 
TRP   CZ2 CH2  doub Y N 395 
TRP   CZ2 HZ2  sing N N 396 
TRP   CZ3 CH2  sing Y N 397 
TRP   CZ3 HZ3  sing N N 398 
TRP   CH2 HH2  sing N N 399 
TRP   OXT HXT  sing N N 400 
TYR   N   CA   sing N N 401 
TYR   N   H    sing N N 402 
TYR   N   H2   sing N N 403 
TYR   CA  C    sing N N 404 
TYR   CA  CB   sing N N 405 
TYR   CA  HA   sing N N 406 
TYR   C   O    doub N N 407 
TYR   C   OXT  sing N N 408 
TYR   CB  CG   sing N N 409 
TYR   CB  HB2  sing N N 410 
TYR   CB  HB3  sing N N 411 
TYR   CG  CD1  doub Y N 412 
TYR   CG  CD2  sing Y N 413 
TYR   CD1 CE1  sing Y N 414 
TYR   CD1 HD1  sing N N 415 
TYR   CD2 CE2  doub Y N 416 
TYR   CD2 HD2  sing N N 417 
TYR   CE1 CZ   doub Y N 418 
TYR   CE1 HE1  sing N N 419 
TYR   CE2 CZ   sing Y N 420 
TYR   CE2 HE2  sing N N 421 
TYR   CZ  OH   sing N N 422 
TYR   OH  HH   sing N N 423 
TYR   OXT HXT  sing N N 424 
VAL   N   CA   sing N N 425 
VAL   N   H    sing N N 426 
VAL   N   H2   sing N N 427 
VAL   CA  C    sing N N 428 
VAL   CA  CB   sing N N 429 
VAL   CA  HA   sing N N 430 
VAL   C   O    doub N N 431 
VAL   C   OXT  sing N N 432 
VAL   CB  CG1  sing N N 433 
VAL   CB  CG2  sing N N 434 
VAL   CB  HB   sing N N 435 
VAL   CG1 HG11 sing N N 436 
VAL   CG1 HG12 sing N N 437 
VAL   CG1 HG13 sing N N 438 
VAL   CG2 HG21 sing N N 439 
VAL   CG2 HG22 sing N N 440 
VAL   CG2 HG23 sing N N 441 
VAL   OXT HXT  sing N N 442 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'Internal unliganded structure' 
# 
_atom_sites.entry_id                    8RRF 
_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]   0.029002 
_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]   0.017446 
_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]   0.016223 
_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   ? 6.703   2.590   10.256  1.000 23.969 0 113 PRO   A N    1 ? 
ATOM   2    C  CA   . PRO   A 1 1   ? 5.707   3.470   9.658   1.000 21.580 0 113 PRO   A CA   1 ? 
ATOM   3    C  C    . PRO   A 1 1   ? 5.814   3.648   8.145   1.000 21.104 0 113 PRO   A C    1 ? 
ATOM   4    O  O    . PRO   A 1 1   ? 6.906   3.596   7.576   1.000 21.527 0 113 PRO   A O    1 ? 
ATOM   5    C  CB   . PRO   A 1 1   ? 5.979   4.771   10.414  1.000 22.980 0 113 PRO   A CB   1 ? 
ATOM   6    C  CG   . PRO   A 1 1   ? 6.263   4.304   11.825  1.000 23.854 0 113 PRO   A CG   1 ? 
ATOM   7    C  CD   . PRO   A 1 1   ? 6.793   2.883   11.682  1.000 24.408 0 113 PRO   A CD   1 ? 
ATOM   8    H  H    . PRO   A 1 1   ? 7.130   1.975   9.832   1.000 23.619 0 113 PRO   A H    1 c 
ATOM   9    H  HA   . PRO   A 1 1   ? 4.806   3.131   9.888   1.000 21.523 0 113 PRO   A HA   1 c 
ATOM   10   H  HB2  . PRO   A 1 1   ? 6.756   5.244   10.033  1.000 22.935 0 113 PRO   A HB2  1 c 
ATOM   11   H  HB3  . PRO   A 1 1   ? 5.193   5.366   10.388  1.000 22.926 0 113 PRO   A HB3  1 c 
ATOM   12   H  HG2  . PRO   A 1 1   ? 6.932   4.880   12.252  1.000 23.814 0 113 PRO   A HG2  1 c 
ATOM   13   H  HG3  . PRO   A 1 1   ? 5.447   4.315   12.366  1.000 23.856 0 113 PRO   A HG3  1 c 
ATOM   14   H  HD2  . PRO   A 1 1   ? 7.724   2.826   11.993  1.000 24.404 0 113 PRO   A HD2  1 c 
ATOM   15   H  HD3  . PRO   A 1 1   ? 6.247   2.254   12.204  1.000 24.293 0 113 PRO   A HD3  1 c 
ATOM   16   N  N    . LEU   A 1 2   ? 4.650   3.891   7.527   1.000 20.260 0 114 LEU   A N    1 ? 
ATOM   17   C  CA   . LEU   A 1 2   ? 4.467   3.918   6.082   1.000 20.206 0 114 LEU   A CA   1 ? 
ATOM   18   C  C    . LEU   A 1 2   ? 3.743   5.209   5.704   1.000 20.876 0 114 LEU   A C    1 ? 
ATOM   19   O  O    . LEU   A 1 2   ? 2.974   5.735   6.508   1.000 23.256 0 114 LEU   A O    1 ? 
ATOM   20   C  CB   . LEU   A 1 2   ? 3.638   2.693   5.692   1.000 20.869 0 114 LEU   A CB   1 ? 
ATOM   21   C  CG   . LEU   A 1 2   ? 4.120   1.341   6.229   1.000 21.900 0 114 LEU   A CG   1 ? 
ATOM   22   C  CD1  . LEU   A 1 2   ? 3.038   0.278   6.073   1.000 22.323 0 114 LEU   A CD1  1 ? 
ATOM   23   C  CD2  . LEU   A 1 2   ? 5.405   0.923   5.535   1.000 22.501 0 114 LEU   A CD2  1 ? 
ATOM   24   H  H    . LEU   A 1 2   ? 3.920   4.056   8.052   1.000 20.317 0 114 LEU   A H    1 c 
ATOM   25   H  HA   . LEU   A 1 2   ? 5.352   3.887   5.638   1.000 20.305 0 114 LEU   A HA   1 c 
ATOM   26   H  HB2  . LEU   A 1 2   ? 2.715   2.838   6.004   1.000 20.891 0 114 LEU   A HB2  1 c 
ATOM   27   H  HB3  . LEU   A 1 2   ? 3.610   2.643   4.708   1.000 20.901 0 114 LEU   A HB3  1 c 
ATOM   28   H  HG   . LEU   A 1 2   ? 4.311   1.441   7.197   1.000 21.868 0 114 LEU   A HG   1 c 
ATOM   29   H  HD11 . LEU   A 1 2   ? 2.250   0.539   6.577   1.000 22.290 0 114 LEU   A HD11 1 c 
ATOM   30   H  HD12 . LEU   A 1 2   ? 3.368   -0.574  6.407   1.000 22.273 0 114 LEU   A HD12 1 c 
ATOM   31   H  HD13 . LEU   A 1 2   ? 2.806   0.188   5.135   1.000 22.275 0 114 LEU   A HD13 1 c 
ATOM   32   H  HD21 . LEU   A 1 2   ? 6.093   1.591   5.693   1.000 22.436 0 114 LEU   A HD21 1 c 
ATOM   33   H  HD22 . LEU   A 1 2   ? 5.247   0.841   4.580   1.000 22.411 0 114 LEU   A HD22 1 c 
ATOM   34   H  HD23 . LEU   A 1 2   ? 5.701   0.067   5.888   1.000 22.401 0 114 LEU   A HD23 1 c 
ATOM   35   N  N    . ILE   A 1 3   ? 3.939   5.689   4.470   1.000 21.310 0 115 ILE   A N    1 ? 
ATOM   36   C  CA   . ILE   A 1 3   ? 3.257   6.893   4.004   1.000 22.409 0 115 ILE   A CA   1 ? 
ATOM   37   C  C    . ILE   A 1 3   ? 2.020   6.478   3.207   1.000 21.465 0 115 ILE   A C    1 ? 
ATOM   38   O  O    . ILE   A 1 3   ? 2.094   5.606   2.346   1.000 22.270 0 115 ILE   A O    1 ? 
ATOM   39   C  CB   . ILE   A 1 3   ? 4.211   7.796   3.194   1.000 24.275 0 115 ILE   A CB   1 ? 
ATOM   40   C  CG1  . ILE   A 1 3   ? 5.532   8.051   3.935   1.000 25.851 0 115 ILE   A CG1  1 ? 
ATOM   41   C  CG2  . ILE   A 1 3   ? 3.526   9.108   2.807   1.000 24.863 0 115 ILE   A CG2  1 ? 
ATOM   42   C  CD1  . ILE   A 1 3   ? 5.371   8.676   5.308   1.000 26.580 0 115 ILE   A CD1  1 ? 
ATOM   43   H  H    . ILE   A 1 3   ? 4.515   5.259   3.905   1.000 21.337 0 115 ILE   A H    1 c 
ATOM   44   H  HA   . ILE   A 1 3   ? 2.960   7.398   4.785   1.000 22.371 0 115 ILE   A HA   1 c 
ATOM   45   H  HB   . ILE   A 1 3   ? 4.429   7.322   2.366   1.000 24.257 0 115 ILE   A HB   1 c 
ATOM   46   H  HG12 . ILE   A 1 3   ? 6.008   7.201   4.031   1.000 25.760 0 115 ILE   A HG12 1 c 
ATOM   47   H  HG13 . ILE   A 1 3   ? 6.086   8.643   3.388   1.000 25.793 0 115 ILE   A HG13 1 c 
ATOM   48   H  HG21 . ILE   A 1 3   ? 4.156   9.677   2.333   1.000 24.806 0 115 ILE   A HG21 1 c 
ATOM   49   H  HG22 . ILE   A 1 3   ? 3.220   9.566   3.608   1.000 24.814 0 115 ILE   A HG22 1 c 
ATOM   50   H  HG23 . ILE   A 1 3   ? 2.765   8.924   2.232   1.000 24.775 0 115 ILE   A HG23 1 c 
ATOM   51   H  HD11 . ILE   A 1 3   ? 4.917   9.537   5.228   1.000 26.476 0 115 ILE   A HD11 1 c 
ATOM   52   H  HD12 . ILE   A 1 3   ? 6.253   8.814   5.704   1.000 26.565 0 115 ILE   A HD12 1 c 
ATOM   53   H  HD13 . ILE   A 1 3   ? 4.848   8.087   5.884   1.000 26.479 0 115 ILE   A HD13 1 c 
ATOM   54   N  N    . VAL   A 1 4   ? 0.874   7.090   3.518   1.000 20.391 0 116 VAL   A N    1 ? 
ATOM   55   C  CA   . VAL   A 1 4   ? -0.349  6.806   2.776   1.000 19.033 0 116 VAL   A CA   1 ? 
ATOM   56   C  C    . VAL   A 1 4   ? -0.345  7.653   1.506   1.000 18.567 0 116 VAL   A C    1 ? 
ATOM   57   O  O    . VAL   A 1 4   ? 0.304   8.698   1.468   1.000 18.730 0 116 VAL   A O    1 ? 
ATOM   58   C  CB   . VAL   A 1 4   ? -1.634  7.028   3.601   1.000 19.488 0 116 VAL   A CB   1 ? 
ATOM   59   C  CG1  . VAL   A 1 4   ? -1.730  6.039   4.755   1.000 19.726 0 116 VAL   A CG1  1 ? 
ATOM   60   C  CG2  . VAL   A 1 4   ? -1.774  8.463   4.099   1.000 20.186 0 116 VAL   A CG2  1 ? 
ATOM   61   H  HA   . VAL   A 1 4   ? -0.326  5.867   2.518   1.000 19.204 0 116 VAL   A HA   1 c 
ATOM   62   H  HB   . VAL   A 1 4   ? -2.397  6.854   3.004   1.000 19.511 0 116 VAL   A HB   1 c 
ATOM   63   H  HG11 . VAL   A 1 4   ? -0.961  6.146   5.340   1.000 19.697 0 116 VAL   A HG11 1 c 
ATOM   64   H  HG12 . VAL   A 1 4   ? -1.746  5.133   4.405   1.000 19.699 0 116 VAL   A HG12 1 c 
ATOM   65   H  HG13 . VAL   A 1 4   ? -2.544  6.206   5.259   1.000 19.708 0 116 VAL   A HG13 1 c 
ATOM   66   H  HG21 . VAL   A 1 4   ? -2.582  8.541   4.633   1.000 20.110 0 116 VAL   A HG21 1 c 
ATOM   67   H  HG22 . VAL   A 1 4   ? -1.829  9.068   3.340   1.000 20.076 0 116 VAL   A HG22 1 c 
ATOM   68   H  HG23 . VAL   A 1 4   ? -1.004  8.695   4.643   1.000 20.125 0 116 VAL   A HG23 1 c 
ATOM   69   N  N    . PRO   A 1 5   ? -1.053  7.250   0.424   1.000 17.851 0 117 PRO   A N    1 ? 
ATOM   70   C  CA   . PRO   A 1 5   ? -1.821  6.001   0.390   1.000 17.246 0 117 PRO   A CA   1 ? 
ATOM   71   C  C    . PRO   A 1 5   ? -0.950  4.746   0.336   1.000 16.237 0 117 PRO   A C    1 ? 
ATOM   72   O  O    . PRO   A 1 5   ? 0.159   4.778   -0.197  1.000 16.418 0 117 PRO   A O    1 ? 
ATOM   73   C  CB   . PRO   A 1 5   ? -2.702  6.152   -0.864  1.000 18.105 0 117 PRO   A CB   1 ? 
ATOM   74   C  CG   . PRO   A 1 5   ? -1.947  7.110   -1.755  1.000 18.645 0 117 PRO   A CG   1 ? 
ATOM   75   C  CD   . PRO   A 1 5   ? -1.157  8.014   -0.828  1.000 18.488 0 117 PRO   A CD   1 ? 
ATOM   76   H  HA   . PRO   A 1 5   ? -2.401  5.964   1.186   1.000 17.283 0 117 PRO   A HA   1 c 
ATOM   77   H  HB2  . PRO   A 1 5   ? -2.828  5.283   -1.312  1.000 18.044 0 117 PRO   A HB2  1 c 
ATOM   78   H  HB3  . PRO   A 1 5   ? -3.587  6.518   -0.628  1.000 18.080 0 117 PRO   A HB3  1 c 
ATOM   79   H  HG2  . PRO   A 1 5   ? -1.343  6.621   -2.353  1.000 18.580 0 117 PRO   A HG2  1 c 
ATOM   80   H  HG3  . PRO   A 1 5   ? -2.568  7.637   -2.300  1.000 18.575 0 117 PRO   A HG3  1 c 
ATOM   81   H  HD2  . PRO   A 1 5   ? -0.267  8.204   -1.200  1.000 18.479 0 117 PRO   A HD2  1 c 
ATOM   82   H  HD3  . PRO   A 1 5   ? -1.629  8.864   -0.684  1.000 18.427 0 117 PRO   A HD3  1 c 
ATOM   83   N  N    . TYR   A 1 6   ? -1.460  3.659   0.927   1.000 15.504 0 118 TYR   A N    1 ? 
ATOM   84   C  CA   . TYR   A 1 6   ? -0.760  2.386   1.032   1.000 15.891 0 118 TYR   A CA   1 ? 
ATOM   85   C  C    . TYR   A 1 6   ? -1.692  1.257   0.599   1.000 15.750 0 118 TYR   A C    1 ? 
ATOM   86   O  O    . TYR   A 1 6   ? -2.860  1.239   0.995   1.000 16.102 0 118 TYR   A O    1 ? 
ATOM   87   C  CB   . TYR   A 1 6   ? -0.320  2.159   2.482   1.000 16.788 0 118 TYR   A CB   1 ? 
ATOM   88   C  CG   . TYR   A 1 6   ? 0.466   0.874   2.690   1.000 18.006 0 118 TYR   A CG   1 ? 
ATOM   89   C  CD1  . TYR   A 1 6   ? 1.802   0.790   2.324   1.000 19.269 0 118 TYR   A CD1  1 ? 
ATOM   90   C  CD2  . TYR   A 1 6   ? -0.119  -0.251  3.257   1.000 18.256 0 118 TYR   A CD2  1 ? 
ATOM   91   C  CE1  . TYR   A 1 6   ? 2.529   -0.375  2.504   1.000 20.532 0 118 TYR   A CE1  1 ? 
ATOM   92   C  CE2  . TYR   A 1 6   ? 0.593   -1.424  3.441   1.000 18.997 0 118 TYR   A CE2  1 ? 
ATOM   93   C  CZ   . TYR   A 1 6   ? 1.923   -1.485  3.066   1.000 20.185 0 118 TYR   A CZ   1 ? 
ATOM   94   O  OH   . TYR   A 1 6   ? 2.639   -2.633  3.248   1.000 23.407 0 118 TYR   A OH   1 ? 
ATOM   95   H  H    . TYR   A 1 6   ? -2.298  3.719   1.286   1.000 15.554 0 118 TYR   A H    1 c 
ATOM   96   H  HA   . TYR   A 1 6   ? 0.039   2.401   0.444   1.000 15.916 0 118 TYR   A HA   1 c 
ATOM   97   H  HB2  . TYR   A 1 6   ? 0.234   2.921   2.764   1.000 16.791 0 118 TYR   A HB2  1 c 
ATOM   98   H  HB3  . TYR   A 1 6   ? -1.120  2.139   3.052   1.000 16.819 0 118 TYR   A HB3  1 c 
ATOM   99   H  HD1  . TYR   A 1 6   ? 2.222   1.540   1.938   1.000 19.219 0 118 TYR   A HD1  1 c 
ATOM   100  H  HD2  . TYR   A 1 6   ? -1.026  -0.219  3.513   1.000 18.275 0 118 TYR   A HD2  1 c 
ATOM   101  H  HE1  . TYR   A 1 6   ? 3.435   -0.413  2.247   1.000 20.427 0 118 TYR   A HE1  1 c 
ATOM   102  H  HE2  . TYR   A 1 6   ? 0.177   -2.176  3.826   1.000 18.961 0 118 TYR   A HE2  1 c 
ATOM   103  H  HH   . TYR   A 1 6   ? 3.018   -2.629  4.005   0.000 28.740 0 118 TYR   A HH   1 c 
ATOM   104  N  N    A ASN   A 1 7   ? -1.197  0.310   -0.205  0.500 16.654 0 119 ASN   A N    1 ? 
ATOM   105  N  N    B ASN   A 1 7   ? -1.140  0.333   -0.196  0.500 16.492 0 119 ASN   A N    1 ? 
ATOM   106  C  CA   A ASN   A 1 7   ? -2.012  -0.833  -0.603  0.500 17.098 0 119 ASN   A CA   1 ? 
ATOM   107  C  CA   B ASN   A 1 7   ? -1.834  -0.863  -0.648  0.500 16.881 0 119 ASN   A CA   1 ? 
ATOM   108  C  C    A ASN   A 1 7   ? -1.382  -2.118  -0.063  0.500 16.750 0 119 ASN   A C    1 ? 
ATOM   109  C  C    B ASN   A 1 7   ? -1.260  -2.058  0.108   0.500 16.589 0 119 ASN   A C    1 ? 
ATOM   110  O  O    A ASN   A 1 7   ? -0.275  -2.484  -0.456  0.500 17.408 0 119 ASN   A O    1 ? 
ATOM   111  O  O    B ASN   A 1 7   ? -0.048  -2.280  0.067   0.500 16.499 0 119 ASN   A O    1 ? 
ATOM   112  C  CB   A ASN   A 1 7   ? -2.294  -0.840  -2.105  0.500 18.290 0 119 ASN   A CB   1 ? 
ATOM   113  C  CB   B ASN   A 1 7   ? -1.681  -1.045  -2.156  0.500 17.759 0 119 ASN   A CB   1 ? 
ATOM   114  C  CG   A ASN   A 1 7   ? -3.485  0.024   -2.458  0.500 18.914 0 119 ASN   A CG   1 ? 
ATOM   115  C  CG   B ASN   A 1 7   ? -2.911  -1.650  -2.787  0.500 18.863 0 119 ASN   A CG   1 ? 
ATOM   116  O  OD1  A ASN   A 1 7   ? -3.418  1.255   -2.366  0.500 20.348 0 119 ASN   A OD1  1 ? 
ATOM   117  O  OD1  B ASN   A 1 7   ? -3.354  -2.729  -2.380  0.500 19.448 0 119 ASN   A OD1  1 ? 
ATOM   118  N  ND2  A ASN   A 1 7   ? -4.591  -0.595  -2.846  0.500 18.811 0 119 ASN   A ND2  1 ? 
ATOM   119  N  ND2  B ASN   A 1 7   ? -3.485  -0.966  -3.767  0.500 20.133 0 119 ASN   A ND2  1 ? 
ATOM   120  H  H    A ASN   A 1 7   ? -0.340  0.374   -0.514  0.500 16.663 0 119 ASN   A H    1 c 
ATOM   121  H  H    B ASN   A 1 7   ? -0.279  0.461   -0.473  0.500 16.514 0 119 ASN   A H    1 c 
ATOM   122  H  HA   A ASN   A 1 7   ? -2.882  -0.739  -0.161  0.500 17.126 0 119 ASN   A HA   1 c 
ATOM   123  H  HA   B ASN   A 1 7   ? -2.792  -0.775  -0.447  0.500 16.893 0 119 ASN   A HA   1 c 
ATOM   124  H  HB2  A ASN   A 1 7   ? -1.506  -0.511  -2.583  0.500 18.216 0 119 ASN   A HB2  1 c 
ATOM   125  H  HB2  B ASN   A 1 7   ? -1.503  -0.176  -2.568  0.500 17.763 0 119 ASN   A HB2  1 c 
ATOM   126  H  HB3  A ASN   A 1 7   ? -2.465  -1.757  -2.397  0.500 18.196 0 119 ASN   A HB3  1 c 
ATOM   127  H  HB3  B ASN   A 1 7   ? -0.913  -1.625  -2.332  0.500 17.749 0 119 ASN   A HB3  1 c 
ATOM   128  H  HD21 A ASN   A 1 7   ? -4.614  -1.481  -2.879  0.500 18.818 0 119 ASN   A HD21 1 c 
ATOM   129  H  HD21 B ASN   A 1 7   ? -3.124  -0.205  -4.045  0.500 19.930 0 119 ASN   A HD21 1 c 
ATOM   130  H  HD22 A ASN   A 1 7   ? -5.307  -0.121  -3.072  0.500 18.835 0 119 ASN   A HD22 1 c 
ATOM   131  H  HD22 B ASN   A 1 7   ? -4.230  -1.268  -4.142  0.500 19.993 0 119 ASN   A HD22 1 c 
ATOM   132  N  N    . LEU   A 1 8   ? -2.113  -2.781  0.843   1.000 16.506 0 120 LEU   A N    1 ? 
ATOM   133  C  CA   . LEU   A 1 8   ? -1.735  -4.050  1.454   1.000 16.967 0 120 LEU   A CA   1 ? 
ATOM   134  C  C    . LEU   A 1 8   ? -2.259  -5.183  0.576   1.000 16.750 0 120 LEU   A C    1 ? 
ATOM   135  O  O    . LEU   A 1 8   ? -3.470  -5.336  0.427   1.000 16.349 0 120 LEU   A O    1 ? 
ATOM   136  C  CB   . LEU   A 1 8   ? -2.309  -4.148  2.868   1.000 17.376 0 120 LEU   A CB   1 ? 
ATOM   137  C  CG   . LEU   A 1 8   ? -2.078  -5.468  3.614   1.000 18.247 0 120 LEU   A CG   1 ? 
ATOM   138  C  CD1  . LEU   A 1 8   ? -0.619  -5.632  3.981   1.000 18.665 0 120 LEU   A CD1  1 ? 
ATOM   139  C  CD2  . LEU   A 1 8   ? -2.947  -5.568  4.859   1.000 18.758 0 120 LEU   A CD2  1 ? 
ATOM   140  H  H    . LEU   A 1 8   ? -2.940  -2.446  1.037   1.000 16.527 0 120 LEU   A H    1 c 
ATOM   141  H  HA   . LEU   A 1 8   ? -0.750  -4.101  1.502   1.000 16.919 0 120 LEU   A HA   1 c 
ATOM   142  H  HB2  . LEU   A 1 8   ? -1.923  -3.419  3.406   1.000 17.422 0 120 LEU   A HB2  1 c 
ATOM   143  H  HB3  . LEU   A 1 8   ? -3.279  -3.989  2.816   1.000 17.409 0 120 LEU   A HB3  1 c 
ATOM   144  H  HG   . LEU   A 1 8   ? -2.328  -6.214  3.010   1.000 18.210 0 120 LEU   A HG   1 c 
ATOM   145  H  HD11 . LEU   A 1 8   ? -0.078  -5.634  3.173   1.000 18.595 0 120 LEU   A HD11 1 c 
ATOM   146  H  HD12 . LEU   A 1 8   ? -0.495  -6.473  4.453   1.000 18.607 0 120 LEU   A HD12 1 c 
ATOM   147  H  HD13 . LEU   A 1 8   ? -0.342  -4.897  4.553   1.000 18.626 0 120 LEU   A HD13 1 c 
ATOM   148  H  HD21 . LEU   A 1 8   ? -3.884  -5.521  4.607   1.000 18.766 0 120 LEU   A HD21 1 c 
ATOM   149  H  HD22 . LEU   A 1 8   ? -2.737  -4.835  5.462   1.000 18.693 0 120 LEU   A HD22 1 c 
ATOM   150  H  HD23 . LEU   A 1 8   ? -2.776  -6.414  5.308   1.000 18.700 0 120 LEU   A HD23 1 c 
ATOM   151  N  N    . PRO   A 1 9   ? -1.383  -6.012  -0.039  1.000 17.088 0 121 PRO   A N    1 ? 
ATOM   152  C  CA   . PRO   A 1 9   ? -1.853  -7.172  -0.793  1.000 17.164 0 121 PRO   A CA   1 ? 
ATOM   153  C  C    . PRO   A 1 9   ? -2.557  -8.166  0.129   1.000 16.287 0 121 PRO   A C    1 ? 
ATOM   154  O  O    . PRO   A 1 9   ? -2.133  -8.369  1.264   1.000 16.949 0 121 PRO   A O    1 ? 
ATOM   155  C  CB   . PRO   A 1 9   ? -0.588  -7.772  -1.427  1.000 17.922 0 121 PRO   A CB   1 ? 
ATOM   156  C  CG   . PRO   A 1 9   ? 0.469   -6.697  -1.270  1.000 18.185 0 121 PRO   A CG   1 ? 
ATOM   157  C  CD   . PRO   A 1 9   ? 0.086   -5.891  -0.044  1.000 17.792 0 121 PRO   A CD   1 ? 
ATOM   158  H  HA   . PRO   A 1 9   ? -2.472  -6.869  -1.504  1.000 17.119 0 121 PRO   A HA   1 c 
ATOM   159  H  HB2  . PRO   A 1 9   ? -0.318  -8.598  -0.960  1.000 17.845 0 121 PRO   A HB2  1 c 
ATOM   160  H  HB3  . PRO   A 1 9   ? -0.738  -7.979  -2.379  1.000 17.905 0 121 PRO   A HB3  1 c 
ATOM   161  H  HG2  . PRO   A 1 9   ? 1.354   -7.100  -1.151  1.000 18.125 0 121 PRO   A HG2  1 c 
ATOM   162  H  HG3  . PRO   A 1 9   ? 0.493   -6.121  -2.063  1.000 18.139 0 121 PRO   A HG3  1 c 
ATOM   163  H  HD2  . PRO   A 1 9   ? 0.480   -6.275  0.771   1.000 17.767 0 121 PRO   A HD2  1 c 
ATOM   164  H  HD3  . PRO   A 1 9   ? 0.371   -4.956  -0.135  1.000 17.739 0 121 PRO   A HD3  1 c 
ATOM   165  N  N    . LEU   A 1 10  ? -3.638  -8.763  -0.381  1.000 15.460 0 122 LEU   A N    1 ? 
ATOM   166  C  CA   . LEU   A 1 10  ? -4.343  -9.856  0.275   1.000 15.664 0 122 LEU   A CA   1 ? 
ATOM   167  C  C    . LEU   A 1 10  ? -4.341  -11.038 -0.691  1.000 15.503 0 122 LEU   A C    1 ? 
ATOM   168  O  O    . LEU   A 1 10  ? -5.324  -11.287 -1.389  1.000 14.589 0 122 LEU   A O    1 ? 
ATOM   169  C  CB   . LEU   A 1 10  ? -5.760  -9.421  0.650   1.000 15.321 0 122 LEU   A CB   1 ? 
ATOM   170  C  CG   . LEU   A 1 10  ? -5.879  -8.142  1.484   1.000 15.331 0 122 LEU   A CG   1 ? 
ATOM   171  C  CD1  . LEU   A 1 10  ? -7.330  -7.703  1.604   1.000 15.102 0 122 LEU   A CD1  1 ? 
ATOM   172  C  CD2  . LEU   A 1 10  ? -5.276  -8.330  2.860   1.000 15.885 0 122 LEU   A CD2  1 ? 
ATOM   173  H  H    . LEU   A 1 10  ? -3.953  -8.470  -1.186  1.000 15.622 0 122 LEU   A H    1 c 
ATOM   174  H  HA   . LEU   A 1 10  ? -3.852  -10.106 1.097   1.000 15.618 0 122 LEU   A HA   1 c 
ATOM   175  H  HB2  . LEU   A 1 10  ? -6.273  -9.295  -0.181  1.000 15.330 0 122 LEU   A HB2  1 c 
ATOM   176  H  HB3  . LEU   A 1 10  ? -6.185  -10.157 1.149   1.000 15.374 0 122 LEU   A HB3  1 c 
ATOM   177  H  HG   . LEU   A 1 10  ? -5.376  -7.422  1.023   1.000 15.348 0 122 LEU   A HG   1 c 
ATOM   178  H  HD11 . LEU   A 1 10  ? -7.692  -7.531  0.718   1.000 15.135 0 122 LEU   A HD11 1 c 
ATOM   179  H  HD12 . LEU   A 1 10  ? -7.381  -6.891  2.136   1.000 15.125 0 122 LEU   A HD12 1 c 
ATOM   180  H  HD13 . LEU   A 1 10  ? -7.848  -8.404  2.033   1.000 15.121 0 122 LEU   A HD13 1 c 
ATOM   181  H  HD21 . LEU   A 1 10  ? -4.334  -8.555  2.776   1.000 15.879 0 122 LEU   A HD21 1 c 
ATOM   182  H  HD22 . LEU   A 1 10  ? -5.739  -9.049  3.322   1.000 15.802 0 122 LEU   A HD22 1 c 
ATOM   183  H  HD23 . LEU   A 1 10  ? -5.367  -7.508  3.370   1.000 15.801 0 122 LEU   A HD23 1 c 
ATOM   184  N  N    . PRO   A 1 11  ? -3.212  -11.775 -0.796  1.000 16.348 0 123 PRO   A N    1 ? 
ATOM   185  C  CA   . PRO   A 1 11  ? -3.058  -12.801 -1.828  1.000 16.359 0 123 PRO   A CA   1 ? 
ATOM   186  C  C    . PRO   A 1 11  ? -4.067  -13.937 -1.681  1.000 16.513 0 123 PRO   A C    1 ? 
ATOM   187  O  O    . PRO   A 1 11  ? -4.153  -14.551 -0.631  1.000 18.194 0 123 PRO   A O    1 ? 
ATOM   188  C  CB   . PRO   A 1 11  ? -1.611  -13.297 -1.642  1.000 16.906 0 123 PRO   A CB   1 ? 
ATOM   189  C  CG   . PRO   A 1 11  ? -0.940  -12.230 -0.810  1.000 17.131 0 123 PRO   A CG   1 ? 
ATOM   190  C  CD   . PRO   A 1 11  ? -2.024  -11.644 0.061   1.000 17.074 0 123 PRO   A CD   1 ? 
ATOM   191  H  HA   . PRO   A 1 11  ? -3.154  -12.376 -2.716  1.000 16.418 0 123 PRO   A HA   1 c 
ATOM   192  H  HB2  . PRO   A 1 11  ? -1.593  -14.165 -1.176  1.000 16.892 0 123 PRO   A HB2  1 c 
ATOM   193  H  HB3  . PRO   A 1 11  ? -1.159  -13.395 -2.513  1.000 16.918 0 123 PRO   A HB3  1 c 
ATOM   194  H  HG2  . PRO   A 1 11  ? -0.229  -12.617 -0.258  1.000 17.135 0 123 PRO   A HG2  1 c 
ATOM   195  H  HG3  . PRO   A 1 11  ? -0.549  -11.538 -1.383  1.000 17.079 0 123 PRO   A HG3  1 c 
ATOM   196  H  HD2  . PRO   A 1 11  ? -2.125  -12.155 0.894   1.000 17.023 0 123 PRO   A HD2  1 c 
ATOM   197  H  HD3  . PRO   A 1 11  ? -1.832  -10.707 0.273   1.000 16.952 0 123 PRO   A HD3  1 c 
ATOM   198  N  N    . GLY   A 1 12  ? -4.823  -14.214 -2.745  1.000 15.850 0 124 GLY   A N    1 ? 
ATOM   199  C  CA   . GLY   A 1 12  ? -5.880  -15.214 -2.706  1.000 16.939 0 124 GLY   A CA   1 ? 
ATOM   200  C  C    . GLY   A 1 12  ? -7.098  -14.719 -1.933  1.000 17.213 0 124 GLY   A C    1 ? 
ATOM   201  O  O    . GLY   A 1 12  ? -7.930  -15.525 -1.529  1.000 18.502 0 124 GLY   A O    1 ? 
ATOM   202  H  H    . GLY   A 1 12  ? -4.679  -13.758 -3.523  1.000 16.116 0 124 GLY   A H    1 c 
ATOM   203  H  HA2  . GLY   A 1 12  ? -6.145  -15.438 -3.629  1.000 16.787 0 124 GLY   A HA2  1 c 
ATOM   204  H  HA3  . GLY   A 1 12  ? -5.535  -16.034 -2.283  1.000 16.792 0 124 GLY   A HA3  1 c 
ATOM   205  N  N    . GLY   A 1 13  ? -7.168  -13.400 -1.715  1.000 16.718 0 125 GLY   A N    1 ? 
ATOM   206  C  CA   . GLY   A 1 13  ? -8.320  -12.760 -1.101  1.000 16.510 0 125 GLY   A CA   1 ? 
ATOM   207  C  C    . GLY   A 1 13  ? -8.390  -13.023 0.400   1.000 16.155 0 125 GLY   A C    1 ? 
ATOM   208  O  O    . GLY   A 1 13  ? -7.386  -13.365 1.028   1.000 17.806 0 125 GLY   A O    1 ? 
ATOM   209  H  H    . GLY   A 1 13  ? -6.468  -12.873 -1.971  1.000 16.683 0 125 GLY   A H    1 c 
ATOM   210  H  HA2  . GLY   A 1 13  ? -8.264  -11.793 -1.258  1.000 16.483 0 125 GLY   A HA2  1 c 
ATOM   211  H  HA3  . GLY   A 1 13  ? -9.140  -13.089 -1.532  1.000 16.525 0 125 GLY   A HA3  1 c 
ATOM   212  N  N    . VAL   A 1 14  ? -9.594  -12.848 0.956   1.000 15.082 0 126 VAL   A N    1 ? 
ATOM   213  C  CA   . VAL   A 1 14  ? -9.816  -12.999 2.388   1.000 14.424 0 126 VAL   A CA   1 ? 
ATOM   214  C  C    . VAL   A 1 14  ? -10.580 -14.298 2.639   1.000 14.875 0 126 VAL   A C    1 ? 
ATOM   215  O  O    . VAL   A 1 14  ? -11.095 -14.911 1.707   1.000 15.444 0 126 VAL   A O    1 ? 
ATOM   216  C  CB   . VAL   A 1 14  ? -10.529 -11.775 2.997   1.000 14.470 0 126 VAL   A CB   1 ? 
ATOM   217  C  CG1  . VAL   A 1 14  ? -9.725  -10.498 2.793   1.000 14.501 0 126 VAL   A CG1  1 ? 
ATOM   218  C  CG2  . VAL   A 1 14  ? -11.946 -11.596 2.469   1.000 14.327 0 126 VAL   A CG2  1 ? 
ATOM   219  H  H    . VAL   A 1 14  ? -10.302 -12.632 0.422   1.000 15.098 0 126 VAL   A H    1 c 
ATOM   220  H  HA   . VAL   A 1 14  ? -8.946  -13.078 2.820   1.000 14.535 0 126 VAL   A HA   1 c 
ATOM   221  H  HB   . VAL   A 1 14  ? -10.591 -11.933 3.967   1.000 14.450 0 126 VAL   A HB   1 c 
ATOM   222  H  HG11 . VAL   A 1 14  ? -9.609  -10.335 1.841   1.000 14.495 0 126 VAL   A HG11 1 c 
ATOM   223  H  HG12 . VAL   A 1 14  ? -8.853  -10.592 3.212   1.000 14.510 0 126 VAL   A HG12 1 c 
ATOM   224  H  HG13 . VAL   A 1 14  ? -10.197 -9.749  3.193   1.000 14.505 0 126 VAL   A HG13 1 c 
ATOM   225  H  HG21 . VAL   A 1 14  ? -12.337 -10.795 2.857   1.000 14.350 0 126 VAL   A HG21 1 c 
ATOM   226  H  HG22 . VAL   A 1 14  ? -12.485 -12.367 2.712   1.000 14.347 0 126 VAL   A HG22 1 c 
ATOM   227  H  HG23 . VAL   A 1 14  ? -11.925 -11.507 1.501   1.000 14.363 0 126 VAL   A HG23 1 c 
ATOM   228  N  N    . VAL   A 1 15  ? -10.615 -14.711 3.909   1.000 14.782 0 127 VAL   A N    1 ? 
ATOM   229  C  CA   . VAL   A 1 15  ? -11.242 -15.959 4.331   1.000 15.085 0 127 VAL   A CA   1 ? 
ATOM   230  C  C    . VAL   A 1 15  ? -11.729 -15.767 5.765   1.000 14.921 0 127 VAL   A C    1 ? 
ATOM   231  O  O    . VAL   A 1 15  ? -11.134 -14.998 6.514   1.000 14.215 0 127 VAL   A O    1 ? 
ATOM   232  C  CB   . VAL   A 1 15  ? -10.240 -17.127 4.195   1.000 16.124 0 127 VAL   A CB   1 ? 
ATOM   233  C  CG1  . VAL   A 1 15  ? -9.011  -16.943 5.078   1.000 16.057 0 127 VAL   A CG1  1 ? 
ATOM   234  C  CG2  . VAL   A 1 15  ? -10.877 -18.488 4.448   1.000 16.807 0 127 VAL   A CG2  1 ? 
ATOM   235  H  H    . VAL   A 1 15  ? -10.224 -14.186 4.546   1.000 14.806 0 127 VAL   A H    1 c 
ATOM   236  H  HA   . VAL   A 1 15  ? -12.009 -16.134 3.754   1.000 15.108 0 127 VAL   A HA   1 c 
ATOM   237  H  HB   . VAL   A 1 15  ? -9.926  -17.124 3.260   1.000 16.046 0 127 VAL   A HB   1 c 
ATOM   238  H  HG11 . VAL   A 1 15  ? -9.280  -16.914 6.012   1.000 16.042 0 127 VAL   A HG11 1 c 
ATOM   239  H  HG12 . VAL   A 1 15  ? -8.563  -16.113 4.845   1.000 16.061 0 127 VAL   A HG12 1 c 
ATOM   240  H  HG13 . VAL   A 1 15  ? -8.401  -17.688 4.943   1.000 16.060 0 127 VAL   A HG13 1 c 
ATOM   241  H  HG21 . VAL   A 1 15  ? -10.210 -19.185 4.328   1.000 16.711 0 127 VAL   A HG21 1 c 
ATOM   242  H  HG22 . VAL   A 1 15  ? -11.606 -18.627 3.820   1.000 16.710 0 127 VAL   A HG22 1 c 
ATOM   243  H  HG23 . VAL   A 1 15  ? -11.220 -18.524 5.356   1.000 16.722 0 127 VAL   A HG23 1 c 
ATOM   244  N  N    . PRO   A 1 16  ? -12.842 -16.402 6.202   1.000 14.910 0 128 PRO   A N    1 ? 
ATOM   245  C  CA   . PRO   A 1 16  ? -13.246 -16.309 7.605   1.000 15.140 0 128 PRO   A CA   1 ? 
ATOM   246  C  C    . PRO   A 1 16  ? -12.110 -16.655 8.569   1.000 15.108 0 128 PRO   A C    1 ? 
ATOM   247  O  O    . PRO   A 1 16  ? -11.335 -17.573 8.305   1.000 15.871 0 128 PRO   A O    1 ? 
ATOM   248  C  CB   . PRO   A 1 16  ? -14.424 -17.287 7.682   1.000 15.335 0 128 PRO   A CB   1 ? 
ATOM   249  C  CG   . PRO   A 1 16  ? -15.022 -17.221 6.295   1.000 15.203 0 128 PRO   A CG   1 ? 
ATOM   250  C  CD   . PRO   A 1 16  ? -13.803 -17.162 5.385   1.000 15.147 0 128 PRO   A CD   1 ? 
ATOM   251  H  HA   . PRO   A 1 16  ? -13.569 -15.393 7.779   1.000 15.120 0 128 PRO   A HA   1 c 
ATOM   252  H  HB2  . PRO   A 1 16  ? -14.114 -18.199 7.891   1.000 15.302 0 128 PRO   A HB2  1 c 
ATOM   253  H  HB3  . PRO   A 1 16  ? -15.077 -17.001 8.363   1.000 15.301 0 128 PRO   A HB3  1 c 
ATOM   254  H  HG2  . PRO   A 1 16  ? -15.564 -18.014 6.106   1.000 15.211 0 128 PRO   A HG2  1 c 
ATOM   255  H  HG3  . PRO   A 1 16  ? -15.577 -16.420 6.189   1.000 15.203 0 128 PRO   A HG3  1 c 
ATOM   256  H  HD2  . PRO   A 1 16  ? -13.470 -18.064 5.184   1.000 15.135 0 128 PRO   A HD2  1 c 
ATOM   257  H  HD3  . PRO   A 1 16  ? -14.010 -16.695 4.546   1.000 15.129 0 128 PRO   A HD3  1 c 
ATOM   258  N  N    . ARG   A 1 17  ? -12.024 -15.866 9.650   1.000 15.394 0 129 ARG   A N    1 ? 
ATOM   259  C  CA   . ARG   A 1 17  ? -11.036 -15.978 10.721  1.000 16.200 0 129 ARG   A CA   1 ? 
ATOM   260  C  C    . ARG   A 1 17  ? -9.784  -15.154 10.408  1.000 15.721 0 129 ARG   A C    1 ? 
ATOM   261  O  O    . ARG   A 1 17  ? -8.879  -15.095 11.236  1.000 16.319 0 129 ARG   A O    1 ? 
ATOM   262  C  CB   . ARG   A 1 17  ? -10.681 -17.425 11.087  1.000 17.759 0 129 ARG   A CB   1 ? 
ATOM   263  C  CG   . ARG   A 1 17  ? -11.859 -18.208 11.650  1.000 19.608 0 129 ARG   A CG   1 ? 
ATOM   264  C  CD   . ARG   A 1 17  ? -11.422 -19.576 12.140  1.000 21.550 0 129 ARG   A CD   1 ? 
ATOM   265  N  NE   . ARG   A 1 17  ? -10.966 -20.407 11.021  1.000 24.103 0 129 ARG   A NE   1 ? 
ATOM   266  C  CZ   . ARG   A 1 17  ? -10.137 -21.446 11.091  1.000 26.557 0 129 ARG   A CZ   1 ? 
ATOM   267  N  NH1  . ARG   A 1 17  ? -9.581  -21.801 12.238  1.000 27.749 0 129 ARG   A NH1  1 ? 
ATOM   268  N  NH2  . ARG   A 1 17  ? -9.849  -22.123 9.993   1.000 27.778 0 129 ARG   A NH2  1 ? 
ATOM   269  H  H    . ARG   A 1 17  ? -12.649 -15.203 9.726   1.000 15.452 0 129 ARG   A H    1 c 
ATOM   270  H  HA   . ARG   A 1 17  ? -11.444 -15.586 11.535  1.000 16.209 0 129 ARG   A HA   1 c 
ATOM   271  H  HB2  . ARG   A 1 17  ? -10.340 -17.886 10.293  1.000 17.661 0 129 ARG   A HB2  1 c 
ATOM   272  H  HB3  . ARG   A 1 17  ? -9.964  -17.413 11.756  1.000 17.656 0 129 ARG   A HB3  1 c 
ATOM   273  H  HG2  . ARG   A 1 17  ? -12.256 -17.709 12.398  1.000 19.548 0 129 ARG   A HG2  1 c 
ATOM   274  H  HG3  . ARG   A 1 17  ? -12.543 -18.317 10.954  1.000 19.574 0 129 ARG   A HG3  1 c 
ATOM   275  H  HD2  . ARG   A 1 17  ? -10.696 -19.469 12.787  1.000 21.566 0 129 ARG   A HD2  1 c 
ATOM   276  H  HD3  . ARG   A 1 17  ? -12.170 -20.017 12.589  1.000 21.561 0 129 ARG   A HD3  1 c 
ATOM   277  H  HE   . ARG   A 1 17  ? -11.271 -20.206 10.230  1.000 23.968 0 129 ARG   A HE   1 c 
ATOM   278  H  HH11 . ARG   A 1 17  ? -8.978  -22.446 12.251  1.000 27.591 0 129 ARG   A HH11 1 c 
ATOM   279  H  HH12 . ARG   A 1 17  ? -9.810  -21.401 12.991  1.000 27.460 0 129 ARG   A HH12 1 c 
ATOM   280  H  HH21 . ARG   A 1 17  ? -9.279  -22.798 10.027  1.000 27.628 0 129 ARG   A HH21 1 c 
ATOM   281  H  HH22 . ARG   A 1 17  ? -10.228 -21.901 9.225   1.000 27.597 0 129 ARG   A HH22 1 c 
ATOM   282  N  N    . MET   A 1 18  ? -9.745  -14.496 9.242   1.000 15.227 0 130 MET   A N    1 ? 
ATOM   283  C  CA   . MET   A 1 18  ? -8.661  -13.579 8.910   1.000 15.294 0 130 MET   A CA   1 ? 
ATOM   284  C  C    . MET   A 1 18  ? -8.909  -12.258 9.635   1.000 15.574 0 130 MET   A C    1 ? 
ATOM   285  O  O    . MET   A 1 18  ? -9.976  -11.664 9.494   1.000 15.664 0 130 MET   A O    1 ? 
ATOM   286  C  CB   . MET   A 1 18  ? -8.600  -13.345 7.398   1.000 15.932 0 130 MET   A CB   1 ? 
ATOM   287  C  CG   . MET   A 1 18  ? -7.370  -12.627 6.906   1.000 16.819 0 130 MET   A CG   1 ? 
ATOM   288  S  SD   . MET   A 1 18  ? -7.399  -12.662 5.106   1.000 19.096 0 130 MET   A SD   1 ? 
ATOM   289  C  CE   . MET   A 1 18  ? -5.969  -11.660 4.694   1.000 19.352 0 130 MET   A CE   1 ? 
ATOM   290  H  H    . MET   A 1 18  ? -10.414 -14.619 8.633   1.000 15.314 0 130 MET   A H    1 c 
ATOM   291  H  HA   . MET   A 1 18  ? -7.806  -13.970 9.222   1.000 15.405 0 130 MET   A HA   1 c 
ATOM   292  H  HB2  . MET   A 1 18  ? -8.654  -14.216 6.949   1.000 15.933 0 130 MET   A HB2  1 c 
ATOM   293  H  HB3  . MET   A 1 18  ? -9.390  -12.828 7.134   1.000 15.897 0 130 MET   A HB3  1 c 
ATOM   294  H  HG2  . MET   A 1 18  ? -7.370  -11.701 7.221   1.000 16.882 0 130 MET   A HG2  1 c 
ATOM   295  H  HG3  . MET   A 1 18  ? -6.564  -13.072 7.235   1.000 16.923 0 130 MET   A HG3  1 c 
ATOM   296  H  HE1  . MET   A 1 18  ? -5.912  -11.557 3.726   1.000 19.359 0 130 MET   A HE1  1 c 
ATOM   297  H  HE2  . MET   A 1 18  ? -6.058  -10.781 5.108   1.000 19.333 0 130 MET   A HE2  1 c 
ATOM   298  H  HE3  . MET   A 1 18  ? -5.162  -12.096 5.024   1.000 19.393 0 130 MET   A HE3  1 c 
ATOM   299  N  N    . LEU   A 1 19  ? -7.920  -11.833 10.427  1.000 15.402 0 131 LEU   A N    1 ? 
ATOM   300  C  CA   . LEU   A 1 19  ? -7.986  -10.619 11.227  1.000 16.159 0 131 LEU   A CA   1 ? 
ATOM   301  C  C    . LEU   A 1 19  ? -6.977  -9.616  10.674  1.000 15.681 0 131 LEU   A C    1 ? 
ATOM   302  O  O    . LEU   A 1 19  ? -5.769  -9.832  10.803  1.000 16.465 0 131 LEU   A O    1 ? 
ATOM   303  C  CB   . LEU   A 1 19  ? -7.682  -10.965 12.686  1.000 17.051 0 131 LEU   A CB   1 ? 
ATOM   304  C  CG   . LEU   A 1 19  ? -7.656  -9.791  13.669  1.000 18.557 0 131 LEU   A CG   1 ? 
ATOM   305  C  CD1  . LEU   A 1 19  ? -9.028  -9.158  13.788  1.000 18.792 0 131 LEU   A CD1  1 ? 
ATOM   306  C  CD2  . LEU   A 1 19  ? -7.158  -10.234 15.032  1.000 19.474 0 131 LEU   A CD2  1 ? 
ATOM   307  H  H    . LEU   A 1 19  ? -7.158  -12.335 10.471  1.000 15.464 0 131 LEU   A H    1 c 
ATOM   308  H  HA   . LEU   A 1 19  ? -8.898  -10.239 11.160  1.000 16.136 0 131 LEU   A HA   1 c 
ATOM   309  H  HB2  . LEU   A 1 19  ? -8.357  -11.613 12.994  1.000 17.109 0 131 LEU   A HB2  1 c 
ATOM   310  H  HB3  . LEU   A 1 19  ? -6.807  -11.415 12.717  1.000 17.080 0 131 LEU   A HB3  1 c 
ATOM   311  H  HG   . LEU   A 1 19  ? -7.028  -9.107  13.322  1.000 18.467 0 131 LEU   A HG   1 c 
ATOM   312  H  HD11 . LEU   A 1 19  ? -9.301  -8.804  12.925  1.000 18.737 0 131 LEU   A HD11 1 c 
ATOM   313  H  HD12 . LEU   A 1 19  ? -8.996  -8.436  14.437  1.000 18.723 0 131 LEU   A HD12 1 c 
ATOM   314  H  HD13 . LEU   A 1 19  ? -9.670  -9.826  14.082  1.000 18.760 0 131 LEU   A HD13 1 c 
ATOM   315  H  HD21 . LEU   A 1 19  ? -6.257  -10.590 14.949  1.000 19.404 0 131 LEU   A HD21 1 c 
ATOM   316  H  HD22 . LEU   A 1 19  ? -7.746  -10.922 15.385  1.000 19.373 0 131 LEU   A HD22 1 c 
ATOM   317  H  HD23 . LEU   A 1 19  ? -7.149  -9.474  15.637  1.000 19.348 0 131 LEU   A HD23 1 c 
ATOM   318  N  N    . ILE   A 1 20  ? -7.481  -8.542  10.055  1.000 15.464 0 132 ILE   A N    1 ? 
ATOM   319  C  CA   . ILE   A 1 20  ? -6.642  -7.496  9.486   1.000 15.408 0 132 ILE   A CA   1 ? 
ATOM   320  C  C    . ILE   A 1 20  ? -6.539  -6.373  10.515  1.000 14.892 0 132 ILE   A C    1 ? 
ATOM   321  O  O    . ILE   A 1 20  ? -7.557  -5.867  10.972  1.000 15.657 0 132 ILE   A O    1 ? 
ATOM   322  C  CB   . ILE   A 1 20  ? -7.195  -7.006  8.132   1.000 16.832 0 132 ILE   A CB   1 ? 
ATOM   323  C  CG1  . ILE   A 1 20  ? -7.374  -8.158  7.131   1.000 17.381 0 132 ILE   A CG1  1 ? 
ATOM   324  C  CG2  . ILE   A 1 20  ? -6.317  -5.896  7.552   1.000 17.276 0 132 ILE   A CG2  1 ? 
ATOM   325  C  CD1  . ILE   A 1 20  ? -8.812  -8.571  6.886   1.000 17.870 0 132 ILE   A CD1  1 ? 
ATOM   326  H  H    . ILE   A 1 20  ? -8.388  -8.459  9.984   1.000 15.520 0 132 ILE   A H    1 c 
ATOM   327  H  HA   . ILE   A 1 20  ? -5.751  -7.864  9.333   1.000 15.464 0 132 ILE   A HA   1 c 
ATOM   328  H  HB   . ILE   A 1 20  ? -8.080  -6.624  8.299   1.000 16.796 0 132 ILE   A HB   1 c 
ATOM   329  H  HG12 . ILE   A 1 20  ? -6.976  -7.896  6.276   1.000 17.344 0 132 ILE   A HG12 1 c 
ATOM   330  H  HG13 . ILE   A 1 20  ? -6.880  -8.937  7.460   1.000 17.336 0 132 ILE   A HG13 1 c 
ATOM   331  H  HG21 . ILE   A 1 20  ? -6.672  -5.616  6.692   1.000 17.213 0 132 ILE   A HG21 1 c 
ATOM   332  H  HG22 . ILE   A 1 20  ? -5.411  -6.225  7.434   1.000 17.241 0 132 ILE   A HG22 1 c 
ATOM   333  H  HG23 . ILE   A 1 20  ? -6.308  -5.135  8.157   1.000 17.207 0 132 ILE   A HG23 1 c 
ATOM   334  H  HD11 . ILE   A 1 20  ? -9.222  -8.856  7.723   1.000 17.813 0 132 ILE   A HD11 1 c 
ATOM   335  H  HD12 . ILE   A 1 20  ? -8.834  -9.309  6.247   1.000 17.811 0 132 ILE   A HD12 1 c 
ATOM   336  H  HD13 . ILE   A 1 20  ? -9.310  -7.814  6.522   1.000 17.800 0 132 ILE   A HD13 1 c 
ATOM   337  N  N    . THR   A 1 21  ? -5.304  -5.999  10.876  1.000 14.569 0 133 THR   A N    1 ? 
ATOM   338  C  CA   . THR   A 1 21  ? -5.048  -4.982  11.889  1.000 14.774 0 133 THR   A CA   1 ? 
ATOM   339  C  C    . THR   A 1 21  ? -4.310  -3.809  11.247  1.000 14.285 0 133 THR   A C    1 ? 
ATOM   340  O  O    . THR   A 1 21  ? -3.225  -3.984  10.694  1.000 15.093 0 133 THR   A O    1 ? 
ATOM   341  C  CB   . THR   A 1 21  ? -4.239  -5.571  13.047  1.000 15.466 0 133 THR   A CB   1 ? 
ATOM   342  O  OG1  . THR   A 1 21  ? -5.001  -6.636  13.610  1.000 15.922 0 133 THR   A OG1  1 ? 
ATOM   343  C  CG2  . THR   A 1 21  ? -3.925  -4.550  14.128  1.000 15.911 0 133 THR   A CG2  1 ? 
ATOM   344  H  H    . THR   A 1 21  ? -4.589  -6.398  10.470  1.000 14.652 0 133 THR   A H    1 c 
ATOM   345  H  HA   . THR   A 1 21  ? -5.906  -4.666  12.241  1.000 14.763 0 133 THR   A HA   1 c 
ATOM   346  H  HB   . THR   A 1 21  ? -3.390  -5.935  12.700  1.000 15.464 0 133 THR   A HB   1 c 
ATOM   347  H  HG1  . THR   A 1 21  ? -5.753  -6.342  13.913  0.000 16.534 0 133 THR   A HG1  1 c 
ATOM   348  H  HG21 . THR   A 1 21  ? -3.445  -4.984  14.853  1.000 15.843 0 133 THR   A HG21 1 c 
ATOM   349  H  HG22 . THR   A 1 21  ? -4.753  -4.173  14.468  1.000 15.856 0 133 THR   A HG22 1 c 
ATOM   350  H  HG23 . THR   A 1 21  ? -3.375  -3.840  13.757  1.000 15.839 0 133 THR   A HG23 1 c 
ATOM   351  N  N    . ILE   A 1 22  ? -4.905  -2.619  11.356  1.000 13.797 0 134 ILE   A N    1 ? 
ATOM   352  C  CA   . ILE   A 1 22  ? -4.328  -1.371  10.877  1.000 13.477 0 134 ILE   A CA   1 ? 
ATOM   353  C  C    . ILE   A 1 22  ? -4.034  -0.508  12.100  1.000 13.253 0 134 ILE   A C    1 ? 
ATOM   354  O  O    . ILE   A 1 22  ? -4.942  -0.186  12.861  1.000 13.785 0 134 ILE   A O    1 ? 
ATOM   355  C  CB   . ILE   A 1 22  ? -5.277  -0.650  9.895   1.000 14.130 0 134 ILE   A CB   1 ? 
ATOM   356  C  CG1  . ILE   A 1 22  ? -5.702  -1.551  8.729   1.000 15.304 0 134 ILE   A CG1  1 ? 
ATOM   357  C  CG2  . ILE   A 1 22  ? -4.650  0.653   9.394   1.000 14.332 0 134 ILE   A CG2  1 ? 
ATOM   358  C  CD1  . ILE   A 1 22  ? -6.995  -2.311  8.948   1.000 16.194 0 134 ILE   A CD1  1 ? 
ATOM   359  H  H    . ILE   A 1 22  ? -5.725  -2.584  11.758  1.000 13.843 0 134 ILE   A H    1 c 
ATOM   360  H  HA   . ILE   A 1 22  ? -3.491  -1.566  10.414  1.000 13.521 0 134 ILE   A HA   1 c 
ATOM   361  H  HB   . ILE   A 1 22  ? -6.087  -0.415  10.392  1.000 14.186 0 134 ILE   A HB   1 c 
ATOM   362  H  HG12 . ILE   A 1 22  ? -5.798  -1.000  7.926   1.000 15.221 0 134 ILE   A HG12 1 c 
ATOM   363  H  HG13 . ILE   A 1 22  ? -4.987  -2.198  8.560   1.000 15.234 0 134 ILE   A HG13 1 c 
ATOM   364  H  HG21 . ILE   A 1 22  ? -5.255  1.087   8.769   1.000 14.303 0 134 ILE   A HG21 1 c 
ATOM   365  H  HG22 . ILE   A 1 22  ? -3.810  0.459   8.945   1.000 14.332 0 134 ILE   A HG22 1 c 
ATOM   366  H  HG23 . ILE   A 1 22  ? -4.484  1.248   10.144  1.000 14.296 0 134 ILE   A HG23 1 c 
ATOM   367  H  HD11 . ILE   A 1 22  ? -6.916  -2.887  9.731   1.000 16.068 0 134 ILE   A HD11 1 c 
ATOM   368  H  HD12 . ILE   A 1 22  ? -7.187  -2.858  8.162   1.000 16.083 0 134 ILE   A HD12 1 c 
ATOM   369  H  HD13 . ILE   A 1 22  ? -7.725  -1.677  9.085   1.000 16.093 0 134 ILE   A HD13 1 c 
ATOM   370  N  N    . LEU   A 1 23  ? -2.757  -0.166  12.291  1.000 13.268 0 135 LEU   A N    1 ? 
ATOM   371  C  CA   . LEU   A 1 23  ? -2.324  0.706   13.376  1.000 13.502 0 135 LEU   A CA   1 ? 
ATOM   372  C  C    . LEU   A 1 23  ? -1.874  2.034   12.781  1.000 13.378 0 135 LEU   A C    1 ? 
ATOM   373  O  O    . LEU   A 1 23  ? -1.154  2.049   11.788  1.000 13.382 0 135 LEU   A O    1 ? 
ATOM   374  C  CB   . LEU   A 1 23  ? -1.165  0.063   14.139  1.000 14.448 0 135 LEU   A CB   1 ? 
ATOM   375  C  CG   . LEU   A 1 23  ? -1.490  -1.197  14.943  1.000 16.033 0 135 LEU   A CG   1 ? 
ATOM   376  C  CD1  . LEU   A 1 23  ? -0.227  -1.868  15.437  1.000 17.015 0 135 LEU   A CD1  1 ? 
ATOM   377  C  CD2  . LEU   A 1 23  ? -2.393  -0.876  16.116  1.000 16.313 0 135 LEU   A CD2  1 ? 
ATOM   378  H  H    . LEU   A 1 23  ? -2.124  -0.491  11.718  1.000 13.253 0 135 LEU   A H    1 c 
ATOM   379  H  HA   . LEU   A 1 23  ? -3.084  0.861   13.990  1.000 13.503 0 135 LEU   A HA   1 c 
ATOM   380  H  HB2  . LEU   A 1 23  ? -0.458  -0.159  13.489  1.000 14.471 0 135 LEU   A HB2  1 c 
ATOM   381  H  HB3  . LEU   A 1 23  ? -0.794  0.735   14.755  1.000 14.468 0 135 LEU   A HB3  1 c 
ATOM   382  H  HG   . LEU   A 1 23  ? -1.968  -1.831  14.348  1.000 15.911 0 135 LEU   A HG   1 c 
ATOM   383  H  HD11 . LEU   A 1 23  ? 0.324   -2.124  14.680  1.000 16.878 0 135 LEU   A HD11 1 c 
ATOM   384  H  HD12 . LEU   A 1 23  ? -0.459  -2.661  15.950  1.000 16.860 0 135 LEU   A HD12 1 c 
ATOM   385  H  HD13 . LEU   A 1 23  ? 0.269   -1.252  16.003  1.000 16.880 0 135 LEU   A HD13 1 c 
ATOM   386  H  HD21 . LEU   A 1 23  ? -3.228  -0.500  15.791  1.000 16.216 0 135 LEU   A HD21 1 c 
ATOM   387  H  HD22 . LEU   A 1 23  ? -1.954  -0.232  16.697  1.000 16.295 0 135 LEU   A HD22 1 c 
ATOM   388  H  HD23 . LEU   A 1 23  ? -2.578  -1.688  16.616  1.000 16.282 0 135 LEU   A HD23 1 c 
ATOM   389  N  N    . GLY   A 1 24  ? -2.270  3.143   13.404  1.000 14.091 0 136 GLY   A N    1 ? 
ATOM   390  C  CA   . GLY   A 1 24  ? -1.755  4.442   13.009  1.000 15.268 0 136 GLY   A CA   1 ? 
ATOM   391  C  C    . GLY   A 1 24  ? -2.133  5.514   14.019  1.000 15.396 0 136 GLY   A C    1 ? 
ATOM   392  O  O    . GLY   A 1 24  ? -2.565  5.195   15.125  1.000 17.185 0 136 GLY   A O    1 ? 
ATOM   393  H  H    . GLY   A 1 24  ? -2.876  3.092   14.086  1.000 14.063 0 136 GLY   A H    1 c 
ATOM   394  H  HA2  . GLY   A 1 24  ? -0.773  4.392   12.932  1.000 15.228 0 136 GLY   A HA2  1 c 
ATOM   395  H  HA3  . GLY   A 1 24  ? -2.118  4.678   12.124  1.000 15.114 0 136 GLY   A HA3  1 c 
ATOM   396  N  N    . THR   A 1 25  ? -1.954  6.773   13.614  1.000 15.518 0 137 THR   A N    1 ? 
ATOM   397  C  CA   . THR   A 1 25  ? -2.375  7.930   14.391  1.000 15.890 0 137 THR   A CA   1 ? 
ATOM   398  C  C    . THR   A 1 25  ? -3.180  8.836   13.464  1.000 15.466 0 137 THR   A C    1 ? 
ATOM   399  O  O    . THR   A 1 25  ? -2.785  9.054   12.322  1.000 15.814 0 137 THR   A O    1 ? 
ATOM   400  C  CB   . THR   A 1 25  ? -1.149  8.630   14.981  1.000 16.871 0 137 THR   A CB   1 ? 
ATOM   401  O  OG1  . THR   A 1 25  ? -0.474  7.649   15.765  1.000 18.323 0 137 THR   A OG1  1 ? 
ATOM   402  C  CG2  . THR   A 1 25  ? -1.506  9.819   15.855  1.000 17.294 0 137 THR   A CG2  1 ? 
ATOM   403  H  H    . THR   A 1 25  ? -1.546  6.916   12.809  1.000 15.523 0 137 THR   A H    1 c 
ATOM   404  H  HA   . THR   A 1 25  ? -2.950  7.629   15.125  1.000 15.873 0 137 THR   A HA   1 c 
ATOM   405  H  HB   . THR   A 1 25  ? -0.554  8.931   14.254  1.000 16.954 0 137 THR   A HB   1 c 
ATOM   406  H  HG1  . THR   A 1 25  ? -0.973  7.358   16.398  0.000 20.068 0 137 THR   A HG1  1 c 
ATOM   407  H  HG21 . THR   A 1 25  ? -0.694  10.210  16.219  1.000 17.239 0 137 THR   A HG21 1 c 
ATOM   408  H  HG22 . THR   A 1 25  ? -2.077  9.526   16.585  1.000 17.229 0 137 THR   A HG22 1 c 
ATOM   409  H  HG23 . THR   A 1 25  ? -1.975  10.485  15.325  1.000 17.221 0 137 THR   A HG23 1 c 
ATOM   410  N  N    . VAL   A 1 26  ? -4.329  9.325   13.944  1.000 15.286 0 138 VAL   A N    1 ? 
ATOM   411  C  CA   . VAL   A 1 26  ? -5.123  10.276  13.176  1.000 15.813 0 138 VAL   A CA   1 ? 
ATOM   412  C  C    . VAL   A 1 26  ? -4.389  11.615  13.188  1.000 16.593 0 138 VAL   A C    1 ? 
ATOM   413  O  O    . VAL   A 1 26  ? -3.936  12.050  14.246  1.000 17.290 0 138 VAL   A O    1 ? 
ATOM   414  C  CB   . VAL   A 1 26  ? -6.554  10.409  13.729  1.000 16.194 0 138 VAL   A CB   1 ? 
ATOM   415  C  CG1  . VAL   A 1 26  ? -7.364  11.433  12.947  1.000 16.331 0 138 VAL   A CG1  1 ? 
ATOM   416  C  CG2  . VAL   A 1 26  ? -7.268  9.066   13.743  1.000 16.548 0 138 VAL   A CG2  1 ? 
ATOM   417  H  H    . VAL   A 1 26  ? -4.623  9.066   14.769  1.000 15.422 0 138 VAL   A H    1 c 
ATOM   418  H  HA   . VAL   A 1 26  ? -5.178  9.957   12.254  1.000 15.874 0 138 VAL   A HA   1 c 
ATOM   419  H  HB   . VAL   A 1 26  ? -6.479  10.724  14.660  1.000 16.177 0 138 VAL   A HB   1 c 
ATOM   420  H  HG11 . VAL   A 1 26  ? -7.417  11.163  12.015  1.000 16.346 0 138 VAL   A HG11 1 c 
ATOM   421  H  HG12 . VAL   A 1 26  ? -6.938  12.302  13.007  1.000 16.386 0 138 VAL   A HG12 1 c 
ATOM   422  H  HG13 . VAL   A 1 26  ? -8.261  11.488  13.318  1.000 16.310 0 138 VAL   A HG13 1 c 
ATOM   423  H  HG21 . VAL   A 1 26  ? -8.173  9.183   14.079  1.000 16.528 0 138 VAL   A HG21 1 c 
ATOM   424  H  HG22 . VAL   A 1 26  ? -6.789  8.448   14.317  1.000 16.503 0 138 VAL   A HG22 1 c 
ATOM   425  H  HG23 . VAL   A 1 26  ? -7.304  8.707   12.840  1.000 16.526 0 138 VAL   A HG23 1 c 
ATOM   426  N  N    . LYS   A 1 27  ? -4.257  12.246  12.014  1.000 17.571 0 139 LYS   A N    1 ? 
ATOM   427  C  CA   . LYS   A 1 27  ? -3.614  13.550  11.897  1.000 19.421 0 139 LYS   A CA   1 ? 
ATOM   428  C  C    . LYS   A 1 27  ? -4.417  14.583  12.687  1.000 20.558 0 139 LYS   A C    1 ? 
ATOM   429  O  O    . LYS   A 1 27  ? -5.617  14.399  12.885  1.000 20.678 0 139 LYS   A O    1 ? 
ATOM   430  C  CB   . LYS   A 1 27  ? -3.512  13.960  10.422  1.000 20.858 0 139 LYS   A CB   1 ? 
ATOM   431  C  CG   . LYS   A 1 27  ? -2.478  13.199  9.601   1.000 21.992 0 139 LYS   A CG   1 ? 
ATOM   432  C  CD   . LYS   A 1 27  ? -2.172  13.849  8.257   1.000 23.967 0 139 LYS   A CD   1 ? 
ATOM   433  C  CE   . LYS   A 1 27  ? -1.299  13.019  7.366   1.000 25.853 0 139 LYS   A CE   1 ? 
ATOM   434  N  NZ   . LYS   A 1 27  ? 0.080   12.928  7.854   1.000 27.147 0 139 LYS   A NZ   1 ? 
ATOM   435  H  H    . LYS   A 1 27  ? -4.578  11.846  11.258  1.000 17.596 0 139 LYS   A H    1 c 
ATOM   436  H  HA   . LYS   A 1 27  ? -2.703  13.481  12.278  1.000 19.423 0 139 LYS   A HA   1 c 
ATOM   437  H  HB2  . LYS   A 1 27  ? -4.390  13.832  10.003  1.000 20.762 0 139 LYS   A HB2  1 c 
ATOM   438  H  HB3  . LYS   A 1 27  ? -3.301  14.916  10.371  1.000 20.757 0 139 LYS   A HB3  1 c 
ATOM   439  H  HG2  . LYS   A 1 27  ? -1.649  13.136  10.123  1.000 22.058 0 139 LYS   A HG2  1 c 
ATOM   440  H  HG3  . LYS   A 1 27  ? -2.809  12.288  9.448   1.000 22.010 0 139 LYS   A HG3  1 c 
ATOM   441  H  HD2  . LYS   A 1 27  ? -3.018  14.030  7.793   1.000 23.958 0 139 LYS   A HD2  1 c 
ATOM   442  H  HD3  . LYS   A 1 27  ? -1.730  14.712  8.417   1.000 23.886 0 139 LYS   A HD3  1 c 
ATOM   443  H  HE2  . LYS   A 1 27  ? -1.669  12.120  7.300   1.000 25.777 0 139 LYS   A HE2  1 c 
ATOM   444  H  HE3  . LYS   A 1 27  ? -1.291  13.407  6.472   1.000 25.873 0 139 LYS   A HE3  1 c 
ATOM   445  H  HZ1  . LYS   A 1 27  ? 0.095   12.525  8.665   1.000 26.954 0 139 LYS   A HZ1  1 c 
ATOM   446  H  HZ2  . LYS   A 1 27  ? 0.434   13.759  7.927   1.000 27.001 0 139 LYS   A HZ2  1 c 
ATOM   447  H  HZ3  . LYS   A 1 27  ? 0.578   12.442  7.274   1.000 27.022 0 139 LYS   A HZ3  1 c 
ATOM   448  N  N    A PRO   A 1 28  ? -3.798  15.665  13.213  0.500 21.498 0 140 PRO   A N    1 ? 
ATOM   449  N  N    B PRO   A 1 28  ? -3.795  15.713  13.110  0.500 21.602 0 140 PRO   A N    1 ? 
ATOM   450  C  CA   A PRO   A 1 28  ? -4.570  16.819  13.674  0.500 22.229 0 140 PRO   A CA   1 ? 
ATOM   451  C  CA   B PRO   A 1 28  ? -4.444  16.661  14.021  0.500 22.136 0 140 PRO   A CA   1 ? 
ATOM   452  C  C    A PRO   A 1 28  ? -5.336  17.403  12.487  0.500 22.853 0 140 PRO   A C    1 ? 
ATOM   453  C  C    B PRO   A 1 28  ? -5.699  17.342  13.474  0.500 22.601 0 140 PRO   A C    1 ? 
ATOM   454  O  O    A PRO   A 1 28  ? -4.849  17.379  11.361  0.500 22.194 0 140 PRO   A O    1 ? 
ATOM   455  O  O    B PRO   A 1 28  ? -6.637  17.596  14.224  0.500 22.704 0 140 PRO   A O    1 ? 
ATOM   456  C  CB   A PRO   A 1 28  ? -3.512  17.779  14.242  0.500 22.342 0 140 PRO   A CB   1 ? 
ATOM   457  C  CB   B PRO   A 1 28  ? -3.325  17.682  14.308  0.500 22.481 0 140 PRO   A CB   1 ? 
ATOM   458  C  CG   A PRO   A 1 28  ? -2.321  16.889  14.537  0.500 22.021 0 140 PRO   A CG   1 ? 
ATOM   459  C  CG   B PRO   A 1 28  ? -2.443  17.617  13.085  0.500 22.450 0 140 PRO   A CG   1 ? 
ATOM   460  C  CD   A PRO   A 1 28  ? -2.355  15.814  13.462  0.500 21.677 0 140 PRO   A CD   1 ? 
ATOM   461  C  CD   B PRO   A 1 28  ? -2.439  16.144  12.725  0.500 21.894 0 140 PRO   A CD   1 ? 
ATOM   462  H  HA   A PRO   A 1 28  ? -5.196  16.540  14.389  0.500 22.234 0 140 PRO   A HA   1 c 
ATOM   463  H  HA   B PRO   A 1 28  ? -4.671  16.182  14.858  0.500 22.167 0 140 PRO   A HA   1 c 
ATOM   464  H  HB2  A PRO   A 1 28  ? -3.277  18.474  13.583  0.500 22.297 0 140 PRO   A HB2  1 c 
ATOM   465  H  HB2  B PRO   A 1 28  ? -3.697  18.588  14.425  0.500 22.451 0 140 PRO   A HB2  1 c 
ATOM   466  H  HB3  A PRO   A 1 28  ? -3.838  18.214  15.065  0.500 22.301 0 140 PRO   A HB3  1 c 
ATOM   467  H  HB3  B PRO   A 1 28  ? -2.821  17.435  15.119  0.500 22.456 0 140 PRO   A HB3  1 c 
ATOM   468  H  HG2  A PRO   A 1 28  ? -1.486  17.399  14.491  0.500 22.034 0 140 PRO   A HG2  1 c 
ATOM   469  H  HG2  B PRO   A 1 28  ? -2.814  18.155  12.354  0.500 22.419 0 140 PRO   A HG2  1 c 
ATOM   470  H  HG3  A PRO   A 1 28  ? -2.398  16.489  15.429  0.500 22.033 0 140 PRO   A HG3  1 c 
ATOM   471  H  HG3  B PRO   A 1 28  ? -1.537  17.932  13.286  0.500 22.433 0 140 PRO   A HG3  1 c 
ATOM   472  H  HD2  A PRO   A 1 28  ? -1.880  16.106  12.653  0.500 21.692 0 140 PRO   A HD2  1 c 
ATOM   473  H  HD2  B PRO   A 1 28  ? -2.280  16.019  11.765  0.500 21.911 0 140 PRO   A HD2  1 c 
ATOM   474  H  HD3  A PRO   A 1 28  ? -1.958  14.976  13.788  0.500 21.665 0 140 PRO   A HD3  1 c 
ATOM   475  H  HD3  B PRO   A 1 28  ? -1.752  15.658  13.233  0.500 21.917 0 140 PRO   A HD3  1 c 
ATOM   476  N  N    A ASN   A 1 29  ? -6.553  17.892  12.737  0.500 23.804 0 141 ASN   A N    1 ? 
ATOM   477  N  N    B ASN   A 1 29  ? -5.702  17.635  12.168  0.500 23.203 0 141 ASN   A N    1 ? 
ATOM   478  C  CA   A ASN   A 1 29  ? -7.352  18.511  11.689  0.500 24.460 0 141 ASN   A CA   1 ? 
ATOM   479  C  CA   B ASN   A 1 29  ? -6.798  18.359  11.532  0.500 23.868 0 141 ASN   A CA   1 ? 
ATOM   480  C  C    A ASN   A 1 29  ? -7.757  17.481  10.633  0.500 23.349 0 141 ASN   A C    1 ? 
ATOM   481  C  C    B ASN   A 1 29  ? -7.564  17.438  10.582  0.500 23.168 0 141 ASN   A C    1 ? 
ATOM   482  O  O    A ASN   A 1 29  ? -8.023  17.855  9.492   0.500 23.605 0 141 ASN   A O    1 ? 
ATOM   483  O  O    B ASN   A 1 29  ? -7.925  17.858  9.483   0.500 23.691 0 141 ASN   A O    1 ? 
ATOM   484  C  CB   A ASN   A 1 29  ? -6.596  19.645  11.001  0.500 26.094 0 141 ASN   A CB   1 ? 
ATOM   485  C  CB   B ASN   A 1 29  ? -6.287  19.575  10.763  0.500 25.160 0 141 ASN   A CB   1 ? 
ATOM   486  C  CG   A ASN   A 1 29  ? -5.822  20.501  11.975  0.500 27.429 0 141 ASN   A CG   1 ? 
ATOM   487  C  CG   B ASN   A 1 29  ? -5.788  20.675  11.669  0.500 26.185 0 141 ASN   A CG   1 ? 
ATOM   488  O  OD1  A ASN   A 1 29  ? -4.619  20.721  11.790  0.500 28.355 0 141 ASN   A OD1  1 ? 
ATOM   489  O  OD1  B ASN   A 1 29  ? -6.181  20.747  12.838  0.500 27.327 0 141 ASN   A OD1  1 ? 
ATOM   490  N  ND2  A ASN   A 1 29  ? -6.485  20.990  13.012  0.500 28.295 0 141 ASN   A ND2  1 ? 
ATOM   491  N  ND2  B ASN   A 1 29  ? -4.936  21.546  11.148  0.500 26.924 0 141 ASN   A ND2  1 ? 
ATOM   492  H  H    A ASN   A 1 29  ? -6.894  17.840  13.583  0.500 23.750 0 141 ASN   A H    1 c 
ATOM   493  H  H    B ASN   A 1 29  ? -4.993  17.373  11.656  0.500 23.211 0 141 ASN   A H    1 c 
ATOM   494  H  HA   A ASN   A 1 29  ? -8.165  18.889  12.096  0.500 24.442 0 141 ASN   A HA   1 c 
ATOM   495  H  HA   B ASN   A 1 29  ? -7.411  18.679  12.232  0.500 23.854 0 141 ASN   A HA   1 c 
ATOM   496  H  HB2  A ASN   A 1 29  ? -5.976  19.264  10.348  0.500 26.067 0 141 ASN   A HB2  1 c 
ATOM   497  H  HB2  B ASN   A 1 29  ? -5.559  19.296  10.172  0.500 25.139 0 141 ASN   A HB2  1 c 
ATOM   498  H  HB3  A ASN   A 1 29  ? -7.234  20.208  10.518  0.500 26.065 0 141 ASN   A HB3  1 c 
ATOM   499  H  HB3  B ASN   A 1 29  ? -7.009  19.926  10.204  0.500 25.147 0 141 ASN   A HB3  1 c 
ATOM   500  H  HD21 A ASN   A 1 29  ? -7.342  20.792  13.123  0.500 28.260 0 141 ASN   A HD21 1 c 
ATOM   501  H  HD21 B ASN   A 1 29  ? -4.767  21.535  10.277  0.500 26.839 0 141 ASN   A HD21 1 c 
ATOM   502  H  HD22 A ASN   A 1 29  ? -6.069  21.513  13.596  0.500 28.268 0 141 ASN   A HD22 1 c 
ATOM   503  H  HD22 B ASN   A 1 29  ? -4.530  22.133  11.675  0.500 26.857 0 141 ASN   A HD22 1 c 
ATOM   504  N  N    . ALA   A 1 30  ? -7.820  16.196  11.014  1.000 22.149 0 142 ALA   A N    1 ? 
ATOM   505  C  CA   . ALA   A 1 30  ? -8.267  15.135  10.115  1.000 20.069 0 142 ALA   A CA   1 ? 
ATOM   506  C  C    . ALA   A 1 30  ? -9.675  15.420  9.592   1.000 18.815 0 142 ALA   A C    1 ? 
ATOM   507  O  O    . ALA   A 1 30  ? -10.522 15.928  10.325  1.000 18.550 0 142 ALA   A O    1 ? 
ATOM   508  C  CB   . ALA   A 1 30  ? -8.218  13.796  10.818  1.000 20.360 0 142 ALA   A CB   1 ? 
ATOM   509  H  H    . ALA   A 1 30  ? -7.660  15.987  11.889  1.000 22.142 0 142 ALA   A H    1 c 
ATOM   510  H  HA   . ALA   A 1 30  ? -7.645  15.111  9.336   1.000 20.158 0 142 ALA   A HA   1 c 
ATOM   511  H  HB1  . ALA   A 1 30  ? -7.304  13.596  11.078  1.000 20.309 0 142 ALA   A HB1  1 c 
ATOM   512  H  HB2  . ALA   A 1 30  ? -8.779  13.822  11.612  1.000 20.311 0 142 ALA   A HB2  1 c 
ATOM   513  H  HB3  . ALA   A 1 30  ? -8.540  13.100  10.221  1.000 20.297 0 142 ALA   A HB3  1 c 
ATOM   514  N  N    . ASN   A 1 31  ? -9.894  15.094  8.311   1.000 17.378 0 143 ASN   A N    1 ? 
ATOM   515  C  CA   . ASN   A 1 31  ? -11.192 15.236  7.664   1.000 17.379 0 143 ASN   A CA   1 ? 
ATOM   516  C  C    . ASN   A 1 31  ? -11.777 13.868  7.317   1.000 16.799 0 143 ASN   A C    1 ? 
ATOM   517  O  O    . ASN   A 1 31  ? -12.984 13.675  7.439   1.000 16.320 0 143 ASN   A O    1 ? 
ATOM   518  C  CB   . ASN   A 1 31  ? -11.104 16.096  6.407   1.000 18.893 0 143 ASN   A CB   1 ? 
ATOM   519  C  CG   . ASN   A 1 31  ? -10.767 17.532  6.728   1.000 20.865 0 143 ASN   A CG   1 ? 
ATOM   520  O  OD1  . ASN   A 1 31  ? -11.487 18.179  7.495   1.000 23.538 0 143 ASN   A OD1  1 ? 
ATOM   521  N  ND2  . ASN   A 1 31  ? -9.687  18.046  6.160   1.000 22.201 0 143 ASN   A ND2  1 ? 
ATOM   522  H  H    . ASN   A 1 31  ? -9.194  14.782  7.816   1.000 17.522 0 143 ASN   A H    1 c 
ATOM   523  H  HA   . ASN   A 1 31  ? -11.805 15.684  8.288   1.000 17.493 0 143 ASN   A HA   1 c 
ATOM   524  H  HB2  . ASN   A 1 31  ? -10.420 15.728  5.813   1.000 18.893 0 143 ASN   A HB2  1 c 
ATOM   525  H  HB3  . ASN   A 1 31  ? -11.961 16.066  5.936   1.000 18.861 0 143 ASN   A HB3  1 c 
ATOM   526  H  HD21 . ASN   A 1 31  ? -9.198  17.558  5.604   1.000 21.931 0 143 ASN   A HD21 1 c 
ATOM   527  H  HD22 . ASN   A 1 31  ? -9.454  18.883  6.336   1.000 21.944 0 143 ASN   A HD22 1 c 
ATOM   528  N  N    . ARG   A 1 32  ? -10.940 12.933  6.850   1.000 16.232 0 144 ARG   A N    1 ? 
ATOM   529  C  CA   . ARG   A 1 32  ? -11.429 11.662  6.329   1.000 16.682 0 144 ARG   A CA   1 ? 
ATOM   530  C  C    . ARG   A 1 32  ? -10.365 10.573  6.461   1.000 15.764 0 144 ARG   A C    1 ? 
ATOM   531  O  O    . ARG   A 1 32  ? -9.172  10.864  6.417   1.000 16.117 0 144 ARG   A O    1 ? 
ATOM   532  C  CB   . ARG   A 1 32  ? -11.822 11.825  4.856   1.000 18.498 0 144 ARG   A CB   1 ? 
ATOM   533  C  CG   . ARG   A 1 32  ? -10.678 12.268  3.956   1.000 20.083 0 144 ARG   A CG   1 ? 
ATOM   534  C  CD   . ARG   A 1 32  ? -11.115 12.620  2.546   1.000 22.133 0 144 ARG   A CD   1 ? 
ATOM   535  N  NE   . ARG   A 1 32  ? -9.949  12.877  1.695   1.000 24.023 0 144 ARG   A NE   1 ? 
ATOM   536  C  CZ   . ARG   A 1 32  ? -9.971  13.035  0.375   1.000 25.415 0 144 ARG   A CZ   1 ? 
ATOM   537  N  NH1  . ARG   A 1 32  ? -11.114 12.976  -0.289  1.000 26.053 0 144 ARG   A NH1  1 ? 
ATOM   538  N  NH2  . ARG   A 1 32  ? -8.842  13.248  -0.279  1.000 26.708 0 144 ARG   A NH2  1 ? 
ATOM   539  H  H    . ARG   A 1 32  ? -10.040 13.092  6.847   1.000 16.323 0 144 ARG   A H    1 c 
ATOM   540  H  HA   . ARG   A 1 32  ? -12.226 11.394  6.851   1.000 16.647 0 144 ARG   A HA   1 c 
ATOM   541  H  HB2  . ARG   A 1 32  ? -12.169 10.968  4.526   1.000 18.366 0 144 ARG   A HB2  1 c 
ATOM   542  H  HB3  . ARG   A 1 32  ? -12.547 12.483  4.793   1.000 18.406 0 144 ARG   A HB3  1 c 
ATOM   543  H  HG2  . ARG   A 1 32  ? -10.240 13.050  4.354   1.000 20.054 0 144 ARG   A HG2  1 c 
ATOM   544  H  HG3  . ARG   A 1 32  ? -10.012 11.548  3.906   1.000 20.063 0 144 ARG   A HG3  1 c 
ATOM   545  H  HD2  . ARG   A 1 32  ? -11.638 11.883  2.170   1.000 22.066 0 144 ARG   A HD2  1 c 
ATOM   546  H  HD3  . ARG   A 1 32  ? -11.683 13.418  2.569   1.000 22.026 0 144 ARG   A HD3  1 c 
ATOM   547  H  HE   . ARG   A 1 32  ? -9.172  12.932  2.087   1.000 23.957 0 144 ARG   A HE   1 c 
ATOM   548  H  HH11 . ARG   A 1 32  ? -11.105 12.907  -1.171  1.000 25.969 0 144 ARG   A HH11 1 c 
ATOM   549  H  HH12 . ARG   A 1 32  ? -11.885 13.007  0.144   1.000 25.946 0 144 ARG   A HH12 1 c 
ATOM   550  H  HH21 . ARG   A 1 32  ? -8.856  13.363  -1.156  1.000 26.534 0 144 ARG   A HH21 1 c 
ATOM   551  H  HH22 . ARG   A 1 32  ? -8.075  13.275  0.160   1.000 26.536 0 144 ARG   A HH22 1 c 
ATOM   552  N  N    . ILE   A 1 33  ? -10.826 9.327   6.622   1.000 14.694 0 145 ILE   A N    1 ? 
ATOM   553  C  CA   . ILE   A 1 33  ? -10.016 8.118   6.521   1.000 14.502 0 145 ILE   A CA   1 ? 
ATOM   554  C  C    . ILE   A 1 33  ? -10.766 7.160   5.600   1.000 13.568 0 145 ILE   A C    1 ? 
ATOM   555  O  O    . ILE   A 1 33  ? -11.991 7.174   5.611   1.000 13.351 0 145 ILE   A O    1 ? 
ATOM   556  C  CB   . ILE   A 1 33  ? -9.795  7.499   7.915   1.000 15.427 0 145 ILE   A CB   1 ? 
ATOM   557  C  CG1  . ILE   A 1 33  ? -9.137  8.496   8.874   1.000 16.133 0 145 ILE   A CG1  1 ? 
ATOM   558  C  CG2  . ILE   A 1 33  ? -9.004  6.192   7.826   1.000 15.892 0 145 ILE   A CG2  1 ? 
ATOM   559  C  CD1  . ILE   A 1 33  ? -9.083  8.028   10.316  1.000 16.574 0 145 ILE   A CD1  1 ? 
ATOM   560  H  H    . ILE   A 1 33  ? -11.714 9.228   6.813   1.000 14.764 0 145 ILE   A H    1 c 
ATOM   561  H  HA   . ILE   A 1 33  ? -9.152  8.340   6.125   1.000 14.535 0 145 ILE   A HA   1 c 
ATOM   562  H  HB   . ILE   A 1 33  ? -10.677 7.284   8.281   1.000 15.420 0 145 ILE   A HB   1 c 
ATOM   563  H  HG12 . ILE   A 1 33  ? -8.225  8.671   8.566   1.000 16.099 0 145 ILE   A HG12 1 c 
ATOM   564  H  HG13 . ILE   A 1 33  ? -9.630  9.339   8.839   1.000 16.091 0 145 ILE   A HG13 1 c 
ATOM   565  H  HG21 . ILE   A 1 33  ? -8.875  5.825   8.716   1.000 15.816 0 145 ILE   A HG21 1 c 
ATOM   566  H  HG22 . ILE   A 1 33  ? -8.138  6.362   7.419   1.000 15.862 0 145 ILE   A HG22 1 c 
ATOM   567  H  HG23 . ILE   A 1 33  ? -9.493  5.549   7.285   1.000 15.804 0 145 ILE   A HG23 1 c 
ATOM   568  H  HD11 . ILE   A 1 33  ? -9.988  7.844   10.633  1.000 16.535 0 145 ILE   A HD11 1 c 
ATOM   569  H  HD12 . ILE   A 1 33  ? -8.684  8.727   10.868  1.000 16.515 0 145 ILE   A HD12 1 c 
ATOM   570  H  HD13 . ILE   A 1 33  ? -8.546  7.216   10.386  1.000 16.516 0 145 ILE   A HD13 1 c 
ATOM   571  N  N    . ALA   A 1 34  ? -10.061 6.332   4.822   1.000 13.330 0 146 ALA   A N    1 ? 
ATOM   572  C  CA   . ALA   A 1 34  ? -10.724 5.314   4.013   1.000 13.092 0 146 ALA   A CA   1 ? 
ATOM   573  C  C    . ALA   A 1 34  ? -9.916  4.017   4.001   1.000 12.665 0 146 ALA   A C    1 ? 
ATOM   574  O  O    . ALA   A 1 34  ? -8.709  4.041   3.760   1.000 13.187 0 146 ALA   A O    1 ? 
ATOM   575  C  CB   . ALA   A 1 34  ? -10.947 5.817   2.603   1.000 14.016 0 146 ALA   A CB   1 ? 
ATOM   576  H  H    . ALA   A 1 34  ? -9.151  6.403   4.790   1.000 13.338 0 146 ALA   A H    1 c 
ATOM   577  H  HA   . ALA   A 1 34  ? -11.608 5.121   4.424   1.000 13.130 0 146 ALA   A HA   1 c 
ATOM   578  H  HB1  . ALA   A 1 34  ? -11.508 6.610   2.624   1.000 13.900 0 146 ALA   A HB1  1 c 
ATOM   579  H  HB2  . ALA   A 1 34  ? -10.094 6.039   2.196   1.000 13.960 0 146 ALA   A HB2  1 c 
ATOM   580  H  HB3  . ALA   A 1 34  ? -11.385 5.128   2.075   1.000 13.874 0 146 ALA   A HB3  1 c 
ATOM   581  N  N    . LEU   A 1 35  ? -10.600 2.901   4.283   1.000 12.520 0 147 LEU   A N    1 ? 
ATOM   582  C  CA   . LEU   A 1 35  ? -10.154 1.557   3.943   1.000 12.880 0 147 LEU   A CA   1 ? 
ATOM   583  C  C    . LEU   A 1 35  ? -10.981 1.078   2.755   1.000 12.392 0 147 LEU   A C    1 ? 
ATOM   584  O  O    . LEU   A 1 35  ? -12.211 1.171   2.791   1.000 12.931 0 147 LEU   A O    1 ? 
ATOM   585  C  CB   . LEU   A 1 35  ? -10.325 0.582   5.108   1.000 13.810 0 147 LEU   A CB   1 ? 
ATOM   586  C  CG   . LEU   A 1 35  ? -9.628  0.932   6.423   1.000 15.589 0 147 LEU   A CG   1 ? 
ATOM   587  C  CD1  . LEU   A 1 35  ? -9.855  -0.172  7.446   1.000 16.364 0 147 LEU   A CD1  1 ? 
ATOM   588  C  CD2  . LEU   A 1 35  ? -8.153  1.169   6.229   1.000 16.158 0 147 LEU   A CD2  1 ? 
ATOM   589  H  H    . LEU   A 1 35  ? -11.395 2.988   4.725   1.000 12.553 0 147 LEU   A H    1 c 
ATOM   590  H  HA   . LEU   A 1 35  ? -9.201  1.594   3.683   1.000 12.941 0 147 LEU   A HA   1 c 
ATOM   591  H  HB2  . LEU   A 1 35  ? -11.289 0.489   5.287   1.000 13.768 0 147 LEU   A HB2  1 c 
ATOM   592  H  HB3  . LEU   A 1 35  ? -10.004 -0.302  4.816   1.000 13.849 0 147 LEU   A HB3  1 c 
ATOM   593  H  HG   . LEU   A 1 35  ? -10.031 1.767   6.775   1.000 15.479 0 147 LEU   A HG   1 c 
ATOM   594  H  HD11 . LEU   A 1 35  ? -10.808 -0.276  7.606   1.000 16.284 0 147 LEU   A HD11 1 c 
ATOM   595  H  HD12 . LEU   A 1 35  ? -9.411  0.060   8.278   1.000 16.259 0 147 LEU   A HD12 1 c 
ATOM   596  H  HD13 . LEU   A 1 35  ? -9.492  -1.008  7.108   1.000 16.257 0 147 LEU   A HD13 1 c 
ATOM   597  H  HD21 . LEU   A 1 35  ? -8.018  1.921   5.629   1.000 16.045 0 147 LEU   A HD21 1 c 
ATOM   598  H  HD22 . LEU   A 1 35  ? -7.744  0.373   5.849   1.000 16.077 0 147 LEU   A HD22 1 c 
ATOM   599  H  HD23 . LEU   A 1 35  ? -7.740  1.364   7.087   1.000 16.082 0 147 LEU   A HD23 1 c 
ATOM   600  N  N    . ASP   A 1 36  ? -10.312 0.536   1.732   1.000 12.563 0 148 ASP   A N    1 ? 
ATOM   601  C  CA   . ASP   A 1 36  ? -10.980 0.019   0.544   1.000 12.814 0 148 ASP   A CA   1 ? 
ATOM   602  C  C    . ASP   A 1 36  ? -10.536 -1.418  0.292   1.000 12.160 0 148 ASP   A C    1 ? 
ATOM   603  O  O    . ASP   A 1 36  ? -9.431  -1.632  -0.211  1.000 12.435 0 148 ASP   A O    1 ? 
ATOM   604  C  CB   . ASP   A 1 36  ? -10.679 0.892   -0.664  1.000 14.042 0 148 ASP   A CB   1 ? 
ATOM   605  C  CG   . ASP   A 1 36  ? -11.330 2.265   -0.637  1.000 15.139 0 148 ASP   A CG   1 ? 
ATOM   606  O  OD1  . ASP   A 1 36  ? -12.546 2.335   -0.886  1.000 15.989 0 148 ASP   A OD1  1 ? 
ATOM   607  O  OD2  . ASP   A 1 36  ? -10.618 3.245   -0.338  1.000 17.415 0 148 ASP   A OD2  1 ? 
ATOM   608  H  H    . ASP   A 1 36  ? -9.401  0.485   1.777   1.000 12.624 0 148 ASP   A H    1 c 
ATOM   609  H  HA   . ASP   A 1 36  ? -11.951 0.029   0.696   1.000 12.802 0 148 ASP   A HA   1 c 
ATOM   610  H  HB2  . ASP   A 1 36  ? -9.708  1.013   -0.731  1.000 14.017 0 148 ASP   A HB2  1 c 
ATOM   611  H  HB3  . ASP   A 1 36  ? -10.979 0.428   -1.474  1.000 13.987 0 148 ASP   A HB3  1 c 
ATOM   612  N  N    . PHE   A 1 37  ? -11.372 -2.389  0.678   1.000 11.935 0 149 PHE   A N    1 ? 
ATOM   613  C  CA   . PHE   A 1 37  ? -11.163 -3.789  0.324   1.000 12.096 0 149 PHE   A CA   1 ? 
ATOM   614  C  C    . PHE   A 1 37  ? -11.632 -3.987  -1.111  1.000 12.001 0 149 PHE   A C    1 ? 
ATOM   615  O  O    . PHE   A 1 37  ? -12.823 -3.866  -1.365  1.000 12.029 0 149 PHE   A O    1 ? 
ATOM   616  C  CB   . PHE   A 1 37  ? -11.940 -4.709  1.271   1.000 12.684 0 149 PHE   A CB   1 ? 
ATOM   617  C  CG   . PHE   A 1 37  ? -11.362 -4.771  2.672   1.000 13.294 0 149 PHE   A CG   1 ? 
ATOM   618  C  CD1  . PHE   A 1 37  ? -11.757 -3.865  3.648   1.000 13.407 0 149 PHE   A CD1  1 ? 
ATOM   619  C  CD2  . PHE   A 1 37  ? -10.391 -5.713  2.997   1.000 13.997 0 149 PHE   A CD2  1 ? 
ATOM   620  C  CE1  . PHE   A 1 37  ? -11.217 -3.918  4.922   1.000 13.916 0 149 PHE   A CE1  1 ? 
ATOM   621  C  CE2  . PHE   A 1 37  ? -9.851  -5.760  4.272   1.000 14.411 0 149 PHE   A CE2  1 ? 
ATOM   622  C  CZ   . PHE   A 1 37  ? -10.262 -4.862  5.230   1.000 14.303 0 149 PHE   A CZ   1 ? 
ATOM   623  H  H    . PHE   A 1 37  ? -12.100 -2.170  1.184   1.000 11.967 0 149 PHE   A H    1 c 
ATOM   624  H  HA   . PHE   A 1 37  ? -10.194 -4.000  0.388   1.000 12.126 0 149 PHE   A HA   1 c 
ATOM   625  H  HB2  . PHE   A 1 37  ? -12.869 -4.394  1.322   1.000 12.700 0 149 PHE   A HB2  1 c 
ATOM   626  H  HB3  . PHE   A 1 37  ? -11.949 -5.615  0.890   1.000 12.663 0 149 PHE   A HB3  1 c 
ATOM   627  H  HD1  . PHE   A 1 37  ? -12.409 -3.214  3.442   1.000 13.455 0 149 PHE   A HD1  1 c 
ATOM   628  H  HD2  . PHE   A 1 37  ? -10.104 -6.330  2.343   1.000 13.935 0 149 PHE   A HD2  1 c 
ATOM   629  H  HE1  . PHE   A 1 37  ? -11.499 -3.301  5.578   1.000 13.877 0 149 PHE   A HE1  1 c 
ATOM   630  H  HE2  . PHE   A 1 37  ? -9.199  -6.409  4.483   1.000 14.337 0 149 PHE   A HE2  1 c 
ATOM   631  H  HZ   . PHE   A 1 37  ? -9.895  -4.897  6.099   1.000 14.249 0 149 PHE   A HZ   1 c 
ATOM   632  N  N    . GLN   A 1 38  ? -10.714 -4.293  -2.036  1.000 11.878 0 150 GLN   A N    1 ? 
ATOM   633  C  CA   . GLN   A 1 38  ? -11.024 -4.276  -3.459  1.000 12.946 0 150 GLN   A CA   1 ? 
ATOM   634  C  C    . GLN   A 1 38  ? -10.970 -5.678  -4.061  1.000 12.658 0 150 GLN   A C    1 ? 
ATOM   635  O  O    . GLN   A 1 38  ? -10.093 -6.479  -3.736  1.000 13.242 0 150 GLN   A O    1 ? 
ATOM   636  C  CB   . GLN   A 1 38  ? -10.088 -3.335  -4.218  1.000 14.895 0 150 GLN   A CB   1 ? 
ATOM   637  C  CG   . GLN   A 1 38  ? -10.229 -1.886  -3.762  1.000 16.877 0 150 GLN   A CG   1 ? 
ATOM   638  C  CD   . GLN   A 1 38  ? -10.176 -0.859  -4.872  1.000 18.648 0 150 GLN   A CD   1 ? 
ATOM   639  O  OE1  . GLN   A 1 38  ? -10.400 -1.158  -6.051  1.000 21.428 0 150 GLN   A OE1  1 ? 
ATOM   640  N  NE2  . GLN   A 1 38  ? -9.917  0.385   -4.495  1.000 20.310 0 150 GLN   A NE2  1 ? 
ATOM   641  H  H    . GLN   A 1 38  ? -9.869  -4.519  -1.772  1.000 11.980 0 150 GLN   A H    1 c 
ATOM   642  H  HA   . GLN   A 1 38  ? -11.943 -3.929  -3.566  1.000 12.906 0 150 GLN   A HA   1 c 
ATOM   643  H  HB2  . GLN   A 1 38  ? -9.163  -3.628  -4.080  1.000 14.862 0 150 GLN   A HB2  1 c 
ATOM   644  H  HB3  . GLN   A 1 38  ? -10.283 -3.398  -5.175  1.000 14.798 0 150 GLN   A HB3  1 c 
ATOM   645  H  HG2  . GLN   A 1 38  ? -11.084 -1.781  -3.292  1.000 16.766 0 150 GLN   A HG2  1 c 
ATOM   646  H  HG3  . GLN   A 1 38  ? -9.518  -1.683  -3.121  1.000 16.870 0 150 GLN   A HG3  1 c 
ATOM   647  H  HE21 . GLN   A 1 38  ? -9.779  0.572   -3.639  1.000 19.936 0 150 GLN   A HE21 1 c 
ATOM   648  H  HE22 . GLN   A 1 38  ? -9.882  1.031   -5.101  1.000 19.967 0 150 GLN   A HE22 1 c 
ATOM   649  N  N    . ARG   A 1 39  ? -11.928 -5.929  -4.959  1.000 12.437 0 151 ARG   A N    1 ? 
ATOM   650  C  CA   . ARG   A 1 39  ? -11.910 -7.049  -5.885  1.000 12.447 0 151 ARG   A CA   1 ? 
ATOM   651  C  C    . ARG   A 1 39  ? -11.771 -6.452  -7.280  1.000 12.279 0 151 ARG   A C    1 ? 
ATOM   652  O  O    . ARG   A 1 39  ? -12.754 -5.998  -7.865  1.000 12.166 0 151 ARG   A O    1 ? 
ATOM   653  C  CB   . ARG   A 1 39  ? -13.200 -7.871  -5.764  1.000 12.987 0 151 ARG   A CB   1 ? 
ATOM   654  C  CG   . ARG   A 1 39  ? -13.336 -8.967  -6.811  1.000 14.027 0 151 ARG   A CG   1 ? 
ATOM   655  C  CD   . ARG   A 1 39  ? -14.593 -9.802  -6.629  1.000 15.122 0 151 ARG   A CD   1 ? 
ATOM   656  N  NE   . ARG   A 1 39  ? -14.714 -10.762 -7.730  1.000 16.473 0 151 ARG   A NE   1 ? 
ATOM   657  C  CZ   . ARG   A 1 39  ? -15.541 -10.677 -8.767  1.000 17.908 0 151 ARG   A CZ   1 ? 
ATOM   658  N  NH1  . ARG   A 1 39  ? -16.427 -9.698  -8.857  1.000 18.704 0 151 ARG   A NH1  1 ? 
ATOM   659  N  NH2  . ARG   A 1 39  ? -15.472 -11.588 -9.722  1.000 19.136 0 151 ARG   A NH2  1 ? 
ATOM   660  H  H    . ARG   A 1 39  ? -12.640 -5.358  -4.995  1.000 12.463 0 151 ARG   A H    1 c 
ATOM   661  H  HA   . ARG   A 1 39  ? -11.125 -7.620  -5.689  1.000 12.498 0 151 ARG   A HA   1 c 
ATOM   662  H  HB2  . ARG   A 1 39  ? -13.229 -8.280  -4.873  1.000 13.039 0 151 ARG   A HB2  1 c 
ATOM   663  H  HB3  . ARG   A 1 39  ? -13.968 -7.265  -5.839  1.000 13.029 0 151 ARG   A HB3  1 c 
ATOM   664  H  HG2  . ARG   A 1 39  ? -13.355 -8.562  -7.704  1.000 13.982 0 151 ARG   A HG2  1 c 
ATOM   665  H  HG3  . ARG   A 1 39  ? -12.553 -9.557  -6.764  1.000 13.994 0 151 ARG   A HG3  1 c 
ATOM   666  H  HD2  . ARG   A 1 39  ? -14.543 -10.286 -5.779  1.000 15.162 0 151 ARG   A HD2  1 c 
ATOM   667  H  HD3  . ARG   A 1 39  ? -15.379 -9.222  -6.602  1.000 15.193 0 151 ARG   A HD3  1 c 
ATOM   668  H  HE   . ARG   A 1 39  ? -14.192 -11.459 -7.703  1.000 16.488 0 151 ARG   A HE   1 c 
ATOM   669  H  HH11 . ARG   A 1 39  ? -16.978 -9.672  -9.547  1.000 18.564 0 151 ARG   A HH11 1 c 
ATOM   670  H  HH12 . ARG   A 1 39  ? -16.474 -9.071  -8.239  1.000 18.484 0 151 ARG   A HH12 1 c 
ATOM   671  H  HH21 . ARG   A 1 39  ? -16.018 -11.541 -10.416 1.000 18.925 0 151 ARG   A HH21 1 c 
ATOM   672  H  HH22 . ARG   A 1 39  ? -14.882 -12.244 -9.667  1.000 18.889 0 151 ARG   A HH22 1 c 
ATOM   673  N  N    . GLY   A 1 40  ? -10.532 -6.415  -7.782  1.000 12.146 0 152 GLY   A N    1 ? 
ATOM   674  C  CA   . GLY   A 1 40  ? -10.218 -5.624  -8.960  1.000 12.289 0 152 GLY   A CA   1 ? 
ATOM   675  C  C    . GLY   A 1 40  ? -10.655 -4.175  -8.753  1.000 12.099 0 152 GLY   A C    1 ? 
ATOM   676  O  O    . GLY   A 1 40  ? -10.291 -3.563  -7.754  1.000 12.584 0 152 GLY   A O    1 ? 
ATOM   677  H  H    . GLY   A 1 40  ? -9.867  -6.897  -7.382  1.000 12.170 0 152 GLY   A H    1 c 
ATOM   678  H  HA2  . GLY   A 1 40  ? -9.246  -5.658  -9.127  1.000 12.278 0 152 GLY   A HA2  1 c 
ATOM   679  H  HA3  . GLY   A 1 40  ? -10.677 -6.007  -9.742  1.000 12.245 0 152 GLY   A HA3  1 c 
ATOM   680  N  N    . ASN   A 1 41  ? -11.463 -3.645  -9.677  1.000 12.036 0 153 ASN   A N    1 ? 
ATOM   681  C  CA   . ASN   A 1 41  ? -11.941 -2.269  -9.579  1.000 12.589 0 153 ASN   A CA   1 ? 
ATOM   682  C  C    . ASN   A 1 41  ? -13.115 -2.144  -8.606  1.000 12.428 0 153 ASN   A C    1 ? 
ATOM   683  O  O    . ASN   A 1 41  ? -13.452 -1.031  -8.203  1.000 13.267 0 153 ASN   A O    1 ? 
ATOM   684  C  CB   . ASN   A 1 41  ? -12.353 -1.710  -10.937 1.000 13.182 0 153 ASN   A CB   1 ? 
ATOM   685  C  CG   . ASN   A 1 41  ? -12.748 -0.255  -10.846 1.000 14.049 0 153 ASN   A CG   1 ? 
ATOM   686  O  OD1  . ASN   A 1 41  ? -11.938 0.585   -10.439 1.000 14.609 0 153 ASN   A OD1  1 ? 
ATOM   687  N  ND2  . ASN   A 1 41  ? -13.985 0.061   -11.196 1.000 14.563 0 153 ASN   A ND2  1 ? 
ATOM   688  H  H    . ASN   A 1 41  ? -11.725 -4.153  -10.390 1.000 12.133 0 153 ASN   A H    1 c 
ATOM   689  H  HA   . ASN   A 1 41  ? -11.203 -1.711  -9.245  1.000 12.560 0 153 ASN   A HA   1 c 
ATOM   690  H  HB2  . ASN   A 1 41  ? -11.609 -1.801  -11.563 1.000 13.199 0 153 ASN   A HB2  1 c 
ATOM   691  H  HB3  . ASN   A 1 41  ? -13.105 -2.229  -11.283 1.000 13.229 0 153 ASN   A HB3  1 c 
ATOM   692  H  HD21 . ASN   A 1 41  ? -14.549 -0.567  -11.468 1.000 14.447 0 153 ASN   A HD21 1 c 
ATOM   693  H  HD22 . ASN   A 1 41  ? -14.251 0.907   -11.158 1.000 14.444 0 153 ASN   A HD22 1 c 
ATOM   694  N  N    . ASP   A 1 42  ? -13.751 -3.261  -8.242  1.000 11.852 0 154 ASP   A N    1 ? 
ATOM   695  C  CA   . ASP   A 1 42  ? -14.879 -3.199  -7.320  1.000 11.900 0 154 ASP   A CA   1 ? 
ATOM   696  C  C    . ASP   A 1 42  ? -14.354 -2.991  -5.905  1.000 11.698 0 154 ASP   A C    1 ? 
ATOM   697  O  O    . ASP   A 1 42  ? -13.279 -3.480  -5.558  1.000 12.155 0 154 ASP   A O    1 ? 
ATOM   698  C  CB   . ASP   A 1 42  ? -15.775 -4.421  -7.431  1.000 12.736 0 154 ASP   A CB   1 ? 
ATOM   699  C  CG   . ASP   A 1 42  ? -16.675 -4.434  -8.654  1.000 13.514 0 154 ASP   A CG   1 ? 
ATOM   700  O  OD1  . ASP   A 1 42  ? -16.697 -3.414  -9.381  1.000 13.958 0 154 ASP   A OD1  1 ? 
ATOM   701  O  OD2  . ASP   A 1 42  ? -17.349 -5.459  -8.864  1.000 15.002 0 154 ASP   A OD2  1 ? 
ATOM   702  H  H    . ASP   A 1 42  ? -13.489 -4.071  -8.573  1.000 11.955 0 154 ASP   A H    1 c 
ATOM   703  H  HA   . ASP   A 1 42  ? -15.426 -2.420  -7.561  1.000 11.972 0 154 ASP   A HA   1 c 
ATOM   704  H  HB2  . ASP   A 1 42  ? -15.217 -5.226  -7.450  1.000 12.679 0 154 ASP   A HB2  1 c 
ATOM   705  H  HB3  . ASP   A 1 42  ? -16.343 -4.469  -6.633  1.000 12.682 0 154 ASP   A HB3  1 c 
ATOM   706  N  N    . VAL   A 1 43  ? -15.092 -2.211  -5.114  1.000 11.666 0 155 VAL   A N    1 ? 
ATOM   707  C  CA   . VAL   A 1 43  ? -14.772 -2.048  -3.705  1.000 11.601 0 155 VAL   A CA   1 ? 
ATOM   708  C  C    . VAL   A 1 43  ? -15.781 -2.874  -2.916  1.000 11.711 0 155 VAL   A C    1 ? 
ATOM   709  O  O    . VAL   A 1 43  ? -16.946 -2.484  -2.801  1.000 12.080 0 155 VAL   A O    1 ? 
ATOM   710  C  CB   . VAL   A 1 43  ? -14.753 -0.570  -3.275  1.000 11.762 0 155 VAL   A CB   1 ? 
ATOM   711  C  CG1  . VAL   A 1 43  ? -14.394 -0.432  -1.803  1.000 11.718 0 155 VAL   A CG1  1 ? 
ATOM   712  C  CG2  . VAL   A 1 43  ? -13.776 0.241   -4.123  1.000 12.033 0 155 VAL   A CG2  1 ? 
ATOM   713  H  H    . VAL   A 1 43  ? -15.814 -1.769  -5.458  1.000 11.647 0 155 VAL   A H    1 c 
ATOM   714  H  HA   . VAL   A 1 43  ? -13.882 -2.416  -3.547  1.000 11.632 0 155 VAL   A HA   1 c 
ATOM   715  H  HB   . VAL   A 1 43  ? -15.660 -0.209  -3.413  1.000 11.739 0 155 VAL   A HB   1 c 
ATOM   716  H  HG11 . VAL   A 1 43  ? -13.536 -0.859  -1.636  1.000 11.720 0 155 VAL   A HG11 1 c 
ATOM   717  H  HG12 . VAL   A 1 43  ? -15.077 -0.855  -1.257  1.000 11.708 0 155 VAL   A HG12 1 c 
ATOM   718  H  HG13 . VAL   A 1 43  ? -14.335 0.510   -1.572  1.000 11.713 0 155 VAL   A HG13 1 c 
ATOM   719  H  HG21 . VAL   A 1 43  ? -13.782 1.167   -3.829  1.000 11.973 0 155 VAL   A HG21 1 c 
ATOM   720  H  HG22 . VAL   A 1 43  ? -14.042 0.198   -5.057  1.000 11.978 0 155 VAL   A HG22 1 c 
ATOM   721  H  HG23 . VAL   A 1 43  ? -12.881 -0.123  -4.025  1.000 12.018 0 155 VAL   A HG23 1 c 
ATOM   722  N  N    . ALA   A 1 44  ? -15.348 -4.046  -2.437  1.000 11.773 0 156 ALA   A N    1 ? 
ATOM   723  C  CA   . ALA   A 1 44  ? -16.220 -4.928  -1.672  1.000 11.626 0 156 ALA   A CA   1 ? 
ATOM   724  C  C    . ALA   A 1 44  ? -16.663 -4.249  -0.379  1.000 11.423 0 156 ALA   A C    1 ? 
ATOM   725  O  O    . ALA   A 1 44  ? -17.817 -4.386  0.024   1.000 11.711 0 156 ALA   A O    1 ? 
ATOM   726  C  CB   . ALA   A 1 44  ? -15.535 -6.245  -1.387  1.000 11.823 0 156 ALA   A CB   1 ? 
ATOM   727  H  H    . ALA   A 1 44  ? -14.487 -4.305  -2.595  1.000 11.711 0 156 ALA   A H    1 c 
ATOM   728  H  HA   . ALA   A 1 44  ? -17.034 -5.103  -2.219  1.000 11.643 0 156 ALA   A HA   1 c 
ATOM   729  H  HB1  . ALA   A 1 44  ? -15.305 -6.683  -2.224  1.000 11.794 0 156 ALA   A HB1  1 c 
ATOM   730  H  HB2  . ALA   A 1 44  ? -14.725 -6.088  -0.874  1.000 11.772 0 156 ALA   A HB2  1 c 
ATOM   731  H  HB3  . ALA   A 1 44  ? -16.130 -6.820  -0.878  1.000 11.782 0 156 ALA   A HB3  1 c 
ATOM   732  N  N    . PHE   A 1 45  ? -15.736 -3.548  0.284   1.000 11.284 0 157 PHE   A N    1 ? 
ATOM   733  C  CA   . PHE   A 1 45  ? -16.020 -2.910  1.560   1.000 11.252 0 157 PHE   A CA   1 ? 
ATOM   734  C  C    . PHE   A 1 45  ? -15.199 -1.629  1.664   1.000 10.974 0 157 PHE   A C    1 ? 
ATOM   735  O  O    . PHE   A 1 45  ? -13.969 -1.682  1.753   1.000 11.191 0 157 PHE   A O    1 ? 
ATOM   736  C  CB   . PHE   A 1 45  ? -15.744 -3.899  2.695   1.000 11.380 0 157 PHE   A CB   1 ? 
ATOM   737  C  CG   . PHE   A 1 45  ? -15.942 -3.369  4.108   1.000 11.453 0 157 PHE   A CG   1 ? 
ATOM   738  C  CD1  . PHE   A 1 45  ? -16.986 -2.500  4.416   1.000 11.629 0 157 PHE   A CD1  1 ? 
ATOM   739  C  CD2  . PHE   A 1 45  ? -15.081 -3.751  5.131   1.000 11.625 0 157 PHE   A CD2  1 ? 
ATOM   740  C  CE1  . PHE   A 1 45  ? -17.153 -2.028  5.710   1.000 11.748 0 157 PHE   A CE1  1 ? 
ATOM   741  C  CE2  . PHE   A 1 45  ? -15.259 -3.281  6.421   1.000 11.673 0 157 PHE   A CE2  1 ? 
ATOM   742  C  CZ   . PHE   A 1 45  ? -16.287 -2.414  6.708   1.000 11.769 0 157 PHE   A CZ   1 ? 
ATOM   743  H  H    . PHE   A 1 45  ? -14.897 -3.470  -0.070  1.000 11.278 0 157 PHE   A H    1 c 
ATOM   744  H  HA   . PHE   A 1 45  ? -16.984 -2.671  1.583   1.000 11.227 0 157 PHE   A HA   1 c 
ATOM   745  H  HB2  . PHE   A 1 45  ? -16.329 -4.679  2.571   1.000 11.361 0 157 PHE   A HB2  1 c 
ATOM   746  H  HB3  . PHE   A 1 45  ? -14.817 -4.215  2.609   1.000 11.373 0 157 PHE   A HB3  1 c 
ATOM   747  H  HD1  . PHE   A 1 45  ? -17.584 -2.229  3.738   1.000 11.604 0 157 PHE   A HD1  1 c 
ATOM   748  H  HD2  . PHE   A 1 45  ? -14.369 -4.342  4.942   1.000 11.586 0 157 PHE   A HD2  1 c 
ATOM   749  H  HE1  . PHE   A 1 45  ? -17.863 -1.439  5.905   1.000 11.731 0 157 PHE   A HE1  1 c 
ATOM   750  H  HE2  . PHE   A 1 45  ? -14.663 -3.545  7.103   1.000 11.658 0 157 PHE   A HE2  1 c 
ATOM   751  H  HZ   . PHE   A 1 45  ? -16.406 -2.094  7.588   1.000 11.739 0 157 PHE   A HZ   1 c 
ATOM   752  N  N    . HIS   A 1 46  ? -15.896 -0.492  1.613   1.000 11.014 0 158 HIS   A N    1 ? 
ATOM   753  C  CA   . HIS   A 1 46  ? -15.355 0.840   1.840   1.000 11.264 0 158 HIS   A CA   1 ? 
ATOM   754  C  C    . HIS   A 1 46  ? -15.759 1.256   3.251   1.000 11.114 0 158 HIS   A C    1 ? 
ATOM   755  O  O    . HIS   A 1 46  ? -16.953 1.306   3.553   1.000 11.495 0 158 HIS   A O    1 ? 
ATOM   756  C  CB   . HIS   A 1 46  ? -15.882 1.788   0.756   1.000 11.521 0 158 HIS   A CB   1 ? 
ATOM   757  C  CG   . HIS   A 1 46  ? -15.551 3.237   0.891   1.000 11.705 0 158 HIS   A CG   1 ? 
ATOM   758  N  ND1  . HIS   A 1 46  ? -14.339 3.756   0.502   1.000 11.924 0 158 HIS   A ND1  1 ? 
ATOM   759  C  CD2  . HIS   A 1 46  ? -16.278 4.284   1.311   1.000 12.204 0 158 HIS   A CD2  1 ? 
ATOM   760  C  CE1  . HIS   A 1 46  ? -14.339 5.067   0.697   1.000 12.230 0 158 HIS   A CE1  1 ? 
ATOM   761  N  NE2  . HIS   A 1 46  ? -15.513 5.413   1.177   1.000 12.277 0 158 HIS   A NE2  1 ? 
ATOM   762  H  H    . HIS   A 1 46  ? -16.786 -0.557  1.416   1.000 11.013 0 158 HIS   A H    1 c 
ATOM   763  H  HA   . HIS   A 1 46  ? -14.371 0.799   1.787   1.000 11.265 0 158 HIS   A HA   1 c 
ATOM   764  H  HB2  . HIS   A 1 46  ? -15.549 1.476   -0.111  1.000 11.505 0 158 HIS   A HB2  1 c 
ATOM   765  H  HB3  . HIS   A 1 46  ? -16.859 1.699   0.721   1.000 11.557 0 158 HIS   A HB3  1 c 
ATOM   766  H  HD1  . HIS   A 1 46  ? -13.686 3.286   0.141   0.000 12.001 0 158 HIS   A HD1  1 c 
ATOM   767  H  HD2  . HIS   A 1 46  ? -17.159 4.259   1.629   1.000 12.185 0 158 HIS   A HD2  1 c 
ATOM   768  H  HE1  . HIS   A 1 46  ? -13.621 5.649   0.521   1.000 12.248 0 158 HIS   A HE1  1 c 
ATOM   769  H  HE2  . HIS   A 1 46  ? -15.743 6.243   1.376   0.000 12.628 0 158 HIS   A HE2  1 c 
ATOM   770  N  N    . PHE   A 1 47  ? -14.769 1.500   4.112   1.000 11.139 0 159 PHE   A N    1 ? 
ATOM   771  C  CA   . PHE   A 1 47  ? -14.972 1.941   5.482   1.000 11.268 0 159 PHE   A CA   1 ? 
ATOM   772  C  C    . PHE   A 1 47  ? -14.438 3.363   5.586   1.000 11.510 0 159 PHE   A C    1 ? 
ATOM   773  O  O    . PHE   A 1 47  ? -13.231 3.553   5.437   1.000 11.757 0 159 PHE   A O    1 ? 
ATOM   774  C  CB   . PHE   A 1 47  ? -14.255 0.954   6.407   1.000 11.351 0 159 PHE   A CB   1 ? 
ATOM   775  C  CG   . PHE   A 1 47  ? -14.227 1.360   7.870   1.000 11.460 0 159 PHE   A CG   1 ? 
ATOM   776  C  CD1  . PHE   A 1 47  ? -15.293 1.062   8.710   1.000 11.585 0 159 PHE   A CD1  1 ? 
ATOM   777  C  CD2  . PHE   A 1 47  ? -13.134 2.031   8.404   1.000 11.652 0 159 PHE   A CD2  1 ? 
ATOM   778  C  CE1  . PHE   A 1 47  ? -15.264 1.428   10.044  1.000 11.644 0 159 PHE   A CE1  1 ? 
ATOM   779  C  CE2  . PHE   A 1 47  ? -13.112 2.398   9.739   1.000 11.696 0 159 PHE   A CE2  1 ? 
ATOM   780  C  CZ   . PHE   A 1 47  ? -14.175 2.092   10.558  1.000 11.768 0 159 PHE   A CZ   1 ? 
ATOM   781  H  H    . PHE   A 1 47  ? -13.910 1.385   3.822   1.000 11.134 0 159 PHE   A H    1 c 
ATOM   782  H  HA   . PHE   A 1 47  ? -15.944 1.935   5.689   1.000 11.279 0 159 PHE   A HA   1 c 
ATOM   783  H  HB2  . PHE   A 1 47  ? -14.697 0.079   6.330   1.000 11.334 0 159 PHE   A HB2  1 c 
ATOM   784  H  HB3  . PHE   A 1 47  ? -13.331 0.850   6.092   1.000 11.337 0 159 PHE   A HB3  1 c 
ATOM   785  H  HD1  . PHE   A 1 47  ? -16.043 0.604   8.366   1.000 11.565 0 159 PHE   A HD1  1 c 
ATOM   786  H  HD2  . PHE   A 1 47  ? -12.400 2.242   7.849   1.000 11.614 0 159 PHE   A HD2  1 c 
ATOM   787  H  HE1  . PHE   A 1 47  ? -15.995 1.220   10.604  1.000 11.620 0 159 PHE   A HE1  1 c 
ATOM   788  H  HE2  . PHE   A 1 47  ? -12.363 2.853   10.089  1.000 11.678 0 159 PHE   A HE2  1 c 
ATOM   789  H  HZ   . PHE   A 1 47  ? -14.159 2.343   11.468  1.000 11.698 0 159 PHE   A HZ   1 c 
ATOM   790  N  N    . ASN   A 1 48  ? -15.303 4.345   5.853   1.000 11.913 0 160 ASN   A N    1 ? 
ATOM   791  C  CA   . ASN   A 1 48  ? -14.983 5.744   5.597   1.000 12.250 0 160 ASN   A CA   1 ? 
ATOM   792  C  C    . ASN   A 1 48  ? -15.415 6.615   6.773   1.000 12.307 0 160 ASN   A C    1 ? 
ATOM   793  O  O    . ASN   A 1 48  ? -16.495 7.205   6.754   1.000 12.431 0 160 ASN   A O    1 ? 
ATOM   794  C  CB   . ASN   A 1 48  ? -15.577 6.178   4.262   1.000 12.559 0 160 ASN   A CB   1 ? 
ATOM   795  C  CG   . ASN   A 1 48  ? -15.413 7.646   3.940   1.000 13.373 0 160 ASN   A CG   1 ? 
ATOM   796  O  OD1  . ASN   A 1 48  ? -16.290 8.227   3.297   1.000 14.495 0 160 ASN   A OD1  1 ? 
ATOM   797  N  ND2  . ASN   A 1 48  ? -14.294 8.255   4.302   1.000 13.610 0 160 ASN   A ND2  1 ? 
ATOM   798  H  H    . ASN   A 1 48  ? -16.119 4.138   6.207   1.000 11.860 0 160 ASN   A H    1 c 
ATOM   799  H  HA   . ASN   A 1 48  ? -14.009 5.818   5.512   1.000 12.271 0 160 ASN   A HA   1 c 
ATOM   800  H  HB2  . ASN   A 1 48  ? -15.155 5.656   3.552   1.000 12.608 0 160 ASN   A HB2  1 c 
ATOM   801  H  HB3  . ASN   A 1 48  ? -16.531 5.966   4.258   1.000 12.565 0 160 ASN   A HB3  1 c 
ATOM   802  H  HD21 . ASN   A 1 48  ? -13.609 7.790   4.618   1.000 13.542 0 160 ASN   A HD21 1 c 
ATOM   803  H  HD22 . ASN   A 1 48  ? -14.230 9.136   4.223   1.000 13.547 0 160 ASN   A HD22 1 c 
ATOM   804  N  N    . PRO   A 1 49  ? -14.589 6.720   7.839   1.000 12.551 0 161 PRO   A N    1 ? 
ATOM   805  C  CA   . PRO   A 1 49  ? -14.777 7.754   8.857   1.000 12.688 0 161 PRO   A CA   1 ? 
ATOM   806  C  C    . PRO   A 1 49  ? -14.698 9.161   8.261   1.000 13.068 0 161 PRO   A C    1 ? 
ATOM   807  O  O    . PRO   A 1 49  ? -13.718 9.501   7.598   1.000 13.518 0 161 PRO   A O    1 ? 
ATOM   808  C  CB   . PRO   A 1 49  ? -13.634 7.483   9.855   1.000 12.814 0 161 PRO   A CB   1 ? 
ATOM   809  C  CG   . PRO   A 1 49  ? -13.284 6.028   9.627   1.000 12.600 0 161 PRO   A CG   1 ? 
ATOM   810  C  CD   . PRO   A 1 49  ? -13.444 5.839   8.129   1.000 12.553 0 161 PRO   A CD   1 ? 
ATOM   811  H  HA   . PRO   A 1 49  ? -15.650 7.619   9.303   1.000 12.698 0 161 PRO   A HA   1 c 
ATOM   812  H  HB2  . PRO   A 1 49  ? -12.859 8.063   9.671   1.000 12.777 0 161 PRO   A HB2  1 c 
ATOM   813  H  HB3  . PRO   A 1 49  ? -13.934 7.631   10.782  1.000 12.767 0 161 PRO   A HB3  1 c 
ATOM   814  H  HG2  . PRO   A 1 49  ? -12.364 5.840   9.907   1.000 12.613 0 161 PRO   A HG2  1 c 
ATOM   815  H  HG3  . PRO   A 1 49  ? -13.894 5.440   10.120  1.000 12.612 0 161 PRO   A HG3  1 c 
ATOM   816  H  HD2  . PRO   A 1 49  ? -12.638 6.125   7.648   1.000 12.551 0 161 PRO   A HD2  1 c 
ATOM   817  H  HD3  . PRO   A 1 49  ? -13.644 4.903   7.909   1.000 12.538 0 161 PRO   A HD3  1 c 
ATOM   818  N  N    . ARG   A 1 50  ? -15.746 9.959   8.503   1.000 13.393 0 162 ARG   A N    1 ? 
ATOM   819  C  CA   . ARG   A 1 50  ? -15.805 11.357  8.104   1.000 13.629 0 162 ARG   A CA   1 ? 
ATOM   820  C  C    . ARG   A 1 50  ? -15.901 12.214  9.362   1.000 14.328 0 162 ARG   A C    1 ? 
ATOM   821  O  O    . ARG   A 1 50  ? -16.829 12.044  10.155  1.000 14.524 0 162 ARG   A O    1 ? 
ATOM   822  C  CB   . ARG   A 1 50  ? -17.023 11.588  7.202   1.000 13.492 0 162 ARG   A CB   1 ? 
ATOM   823  C  CG   . ARG   A 1 50  ? -16.982 10.770  5.922   1.000 13.618 0 162 ARG   A CG   1 ? 
ATOM   824  C  CD   . ARG   A 1 50  ? -18.197 11.004  5.049   1.000 13.838 0 162 ARG   A CD   1 ? 
ATOM   825  N  NE   . ARG   A 1 50  ? -18.157 10.136  3.870   1.000 14.306 0 162 ARG   A NE   1 ? 
ATOM   826  C  CZ   . ARG   A 1 50  ? -19.051 10.117  2.890   1.000 14.441 0 162 ARG   A CZ   1 ? 
ATOM   827  N  NH1  . ARG   A 1 50  ? -20.096 10.928  2.921   1.000 14.578 0 162 ARG   A NH1  1 ? 
ATOM   828  N  NH2  . ARG   A 1 50  ? -18.895 9.281   1.879   1.000 14.778 0 162 ARG   A NH2  1 ? 
ATOM   829  H  H    . ARG   A 1 50  ? -16.465 9.607   8.944   1.000 13.398 0 162 ARG   A H    1 c 
ATOM   830  H  HA   . ARG   A 1 50  ? -14.977 11.588  7.611   1.000 13.659 0 162 ARG   A HA   1 c 
ATOM   831  H  HB2  . ARG   A 1 50  ? -17.836 11.359  7.701   1.000 13.502 0 162 ARG   A HB2  1 c 
ATOM   832  H  HB3  . ARG   A 1 50  ? -17.071 12.541  6.970   1.000 13.525 0 162 ARG   A HB3  1 c 
ATOM   833  H  HG2  . ARG   A 1 50  ? -16.175 11.004  5.414   1.000 13.618 0 162 ARG   A HG2  1 c 
ATOM   834  H  HG3  . ARG   A 1 50  ? -16.932 9.816   6.148   1.000 13.615 0 162 ARG   A HG3  1 c 
ATOM   835  H  HD2  . ARG   A 1 50  ? -19.011 10.820  5.561   1.000 13.873 0 162 ARG   A HD2  1 c 
ATOM   836  H  HD3  . ARG   A 1 50  ? -18.220 11.940  4.763   1.000 13.884 0 162 ARG   A HD3  1 c 
ATOM   837  H  HE   . ARG   A 1 50  ? -17.487 9.583   3.803   1.000 14.268 0 162 ARG   A HE   1 c 
ATOM   838  H  HH11 . ARG   A 1 50  ? -20.681 10.913  2.258   1.000 14.533 0 162 ARG   A HH11 1 c 
ATOM   839  H  HH12 . ARG   A 1 50  ? -20.214 11.482  3.598   1.000 14.515 0 162 ARG   A HH12 1 c 
ATOM   840  H  HH21 . ARG   A 1 50  ? -19.490 9.265   1.225   1.000 14.711 0 162 ARG   A HH21 1 c 
ATOM   841  H  HH22 . ARG   A 1 50  ? -18.197 8.739   1.856   1.000 14.718 0 162 ARG   A HH22 1 c 
ATOM   842  N  N    . PHE   A 1 51  ? -14.949 13.138  9.525   1.000 15.077 0 163 PHE   A N    1 ? 
ATOM   843  C  CA   . PHE   A 1 51  ? -14.816 13.908  10.756  1.000 16.160 0 163 PHE   A CA   1 ? 
ATOM   844  C  C    . PHE   A 1 51  ? -15.651 15.191  10.739  1.000 17.552 0 163 PHE   A C    1 ? 
ATOM   845  O  O    . PHE   A 1 51  ? -15.891 15.761  11.799  1.000 18.243 0 163 PHE   A O    1 ? 
ATOM   846  C  CB   . PHE   A 1 51  ? -13.338 14.228  10.995  1.000 16.260 0 163 PHE   A CB   1 ? 
ATOM   847  C  CG   . PHE   A 1 51  ? -12.508 13.033  11.436  1.000 16.181 0 163 PHE   A CG   1 ? 
ATOM   848  C  CD1  . PHE   A 1 51  ? -12.066 12.094  10.510  1.000 16.270 0 163 PHE   A CD1  1 ? 
ATOM   849  C  CD2  . PHE   A 1 51  ? -12.143 12.867  12.769  1.000 16.087 0 163 PHE   A CD2  1 ? 
ATOM   850  C  CE1  . PHE   A 1 51  ? -11.301 11.009  10.909  1.000 16.644 0 163 PHE   A CE1  1 ? 
ATOM   851  C  CE2  . PHE   A 1 51  ? -11.373 11.781  13.163  1.000 16.307 0 163 PHE   A CE2  1 ? 
ATOM   852  C  CZ   . PHE   A 1 51  ? -10.958 10.853  12.233  1.000 16.495 0 163 PHE   A CZ   1 ? 
ATOM   853  H  H    . PHE   A 1 51  ? -14.362 13.296  8.843   1.000 15.078 0 163 PHE   A H    1 c 
ATOM   854  H  HA   . PHE   A 1 51  ? -15.133 13.344  11.510  1.000 16.151 0 163 PHE   A HA   1 c 
ATOM   855  H  HB2  . PHE   A 1 51  ? -12.957 14.591  10.164  1.000 16.208 0 163 PHE   A HB2  1 c 
ATOM   856  H  HB3  . PHE   A 1 51  ? -13.277 14.928  11.683  1.000 16.213 0 163 PHE   A HB3  1 c 
ATOM   857  H  HD1  . PHE   A 1 51  ? -12.299 12.193  9.601   1.000 16.307 0 163 PHE   A HD1  1 c 
ATOM   858  H  HD2  . PHE   A 1 51  ? -12.426 13.497  13.411  1.000 16.133 0 163 PHE   A HD2  1 c 
ATOM   859  H  HE1  . PHE   A 1 51  ? -11.016 10.376  10.271  1.000 16.550 0 163 PHE   A HE1  1 c 
ATOM   860  H  HE2  . PHE   A 1 51  ? -11.140 11.675  14.071  1.000 16.318 0 163 PHE   A HE2  1 c 
ATOM   861  H  HZ   . PHE   A 1 51  ? -10.435 10.115  12.503  1.000 16.487 0 163 PHE   A HZ   1 c 
ATOM   862  N  N    A ASN   A 1 52  ? -16.034 15.688  9.558   0.500 18.354 0 164 ASN   A N    1 ? 
ATOM   863  N  N    B ASN   A 1 52  ? -16.128 15.585  9.546   0.500 18.532 0 164 ASN   A N    1 ? 
ATOM   864  C  CA   A ASN   A 1 52  ? -16.885 16.870  9.482   0.500 19.549 0 164 ASN   A CA   1 ? 
ATOM   865  C  CA   B ASN   A 1 52  ? -16.720 16.899  9.318   0.500 20.004 0 164 ASN   A CA   1 ? 
ATOM   866  C  C    A ASN   A 1 52  ? -17.720 16.807  8.209   0.500 20.104 0 164 ASN   A C    1 ? 
ATOM   867  C  C    B ASN   A 1 52  ? -17.758 16.862  8.194   0.500 20.346 0 164 ASN   A C    1 ? 
ATOM   868  O  O    A ASN   A 1 52  ? -17.429 17.488  7.226   0.500 21.112 0 164 ASN   A O    1 ? 
ATOM   869  O  O    B ASN   A 1 52  ? -17.681 17.685  7.282   0.500 21.376 0 164 ASN   A O    1 ? 
ATOM   870  C  CB   A ASN   A 1 52  ? -16.094 18.170  9.591   0.500 20.588 0 164 ASN   A CB   1 ? 
ATOM   871  C  CB   B ASN   A 1 52  ? -15.655 17.924  8.929   0.500 21.114 0 164 ASN   A CB   1 ? 
ATOM   872  C  CG   A ASN   A 1 52  ? -16.992 19.382  9.506   0.500 21.595 0 164 ASN   A CG   1 ? 
ATOM   873  C  CG   B ASN   A 1 52  ? -14.560 18.066  9.960   0.500 21.924 0 164 ASN   A CG   1 ? 
ATOM   874  O  OD1  A ASN   A 1 52  ? -18.153 19.265  9.100   0.500 22.153 0 164 ASN   A OD1  1 ? 
ATOM   875  O  OD1  B ASN   A 1 52  ? -14.831 18.430  11.108  0.500 22.833 0 164 ASN   A OD1  1 ? 
ATOM   876  N  ND2  A ASN   A 1 52  ? -16.476 20.547  9.869   0.500 22.382 0 164 ASN   A ND2  1 ? 
ATOM   877  N  ND2  B ASN   A 1 52  ? -13.321 17.794  9.572   0.500 22.707 0 164 ASN   A ND2  1 ? 
ATOM   878  H  H    A ASN   A 1 52  ? -15.759 15.288  8.784   0.500 18.301 0 164 ASN   A H    1 c 
ATOM   879  H  H    B ASN   A 1 52  ? -16.087 15.003  8.843   0.500 18.452 0 164 ASN   A H    1 c 
ATOM   880  H  HA   A ASN   A 1 52  ? -17.504 16.847  10.247  0.500 19.528 0 164 ASN   A HA   1 c 
ATOM   881  H  HA   B ASN   A 1 52  ? -17.153 17.204  10.148  0.500 19.929 0 164 ASN   A HA   1 c 
ATOM   882  H  HB2  A ASN   A 1 52  ? -15.614 18.185  10.443  0.500 20.571 0 164 ASN   A HB2  1 c 
ATOM   883  H  HB2  B ASN   A 1 52  ? -15.254 17.657  8.077   0.500 21.072 0 164 ASN   A HB2  1 c 
ATOM   884  H  HB3  A ASN   A 1 52  ? -15.434 18.207  8.870   0.500 20.572 0 164 ASN   A HB3  1 c 
ATOM   885  H  HB3  B ASN   A 1 52  ? -16.082 18.794  8.799   0.500 21.077 0 164 ASN   A HB3  1 c 
ATOM   886  H  HD21 A ASN   A 1 52  ? -15.664 20.580  10.224  0.500 22.300 0 164 ASN   A HD21 1 c 
ATOM   887  H  HD21 B ASN   A 1 52  ? -13.161 17.573  8.728   0.500 22.575 0 164 ASN   A HD21 1 c 
ATOM   888  H  HD22 A ASN   A 1 52  ? -16.944 21.292  9.757   0.500 22.306 0 164 ASN   A HD22 1 c 
ATOM   889  H  HD22 B ASN   A 1 52  ? -12.655 17.836  10.156  0.500 22.653 0 164 ASN   A HD22 1 c 
ATOM   890  N  N    . GLU   A 1 53  ? -18.729 15.937  8.251   1.000 20.211 0 165 GLU   A N    1 ? 
ATOM   891  C  CA   . GLU   A 1 53  ? -19.822 15.919  7.285   1.000 20.359 0 165 GLU   A CA   1 ? 
ATOM   892  C  C    . GLU   A 1 53  ? -20.999 16.685  7.889   1.000 20.720 0 165 GLU   A C    1 ? 
ATOM   893  O  O    . GLU   A 1 53  ? -21.646 16.192  8.815   1.000 20.487 0 165 GLU   A O    1 ? 
ATOM   894  C  CB   . GLU   A 1 53  ? -20.232 14.490  6.927   1.000 20.336 0 165 GLU   A CB   1 ? 
ATOM   895  C  CG   . GLU   A 1 53  ? -21.248 14.422  5.792   1.000 20.427 0 165 GLU   A CG   1 ? 
ATOM   896  C  CD   . GLU   A 1 53  ? -21.926 13.075  5.633   1.000 21.032 0 165 GLU   A CD   1 ? 
ATOM   897  O  OE1  . GLU   A 1 53  ? -22.739 12.707  6.511   1.000 21.799 0 165 GLU   A OE1  1 ? 
ATOM   898  O  OE2  . GLU   A 1 53  ? -21.652 12.400  4.621   1.000 21.919 0 165 GLU   A OE2  1 ? 
ATOM   899  H  H    . GLU   A 1 53  ? -18.722 15.306  8.912   1.000 20.198 0 165 GLU   A H    1 c 
ATOM   900  H  HA   . GLU   A 1 53  ? -19.527 16.377  6.457   1.000 20.394 0 165 GLU   A HA   1 c 
ATOM   901  H  HB2  . GLU   A 1 53  ? -19.432 13.988  6.666   1.000 20.348 0 165 GLU   A HB2  1 c 
ATOM   902  H  HB3  . GLU   A 1 53  ? -20.611 14.060  7.722   1.000 20.334 0 165 GLU   A HB3  1 c 
ATOM   903  H  HG2  . GLU   A 1 53  ? -21.941 15.100  5.941   1.000 20.465 0 165 GLU   A HG2  1 c 
ATOM   904  H  HG3  . GLU   A 1 53  ? -20.798 14.644  4.948   1.000 20.497 0 165 GLU   A HG3  1 c 
ATOM   905  N  N    . ASN   A 1 54  ? -21.253 17.895  7.376   1.000 21.456 0 166 ASN   A N    1 ? 
ATOM   906  C  CA   . ASN   A 1 54  ? -22.276 18.784  7.916   1.000 22.136 0 166 ASN   A CA   1 ? 
ATOM   907  C  C    . ASN   A 1 54  ? -22.060 18.962  9.421   1.000 21.793 0 166 ASN   A C    1 ? 
ATOM   908  O  O    . ASN   A 1 54  ? -23.009 18.915  10.200  1.000 21.094 0 166 ASN   A O    1 ? 
ATOM   909  C  CB   . ASN   A 1 54  ? -23.679 18.300  7.553   1.000 23.406 0 166 ASN   A CB   1 ? 
ATOM   910  C  CG   . ASN   A 1 54  ? -24.769 19.238  8.019   1.000 24.792 0 166 ASN   A CG   1 ? 
ATOM   911  O  OD1  . ASN   A 1 54  ? -25.821 18.781  8.482   1.000 26.993 0 166 ASN   A OD1  1 ? 
ATOM   912  N  ND2  . ASN   A 1 54  ? -24.557 20.540  7.895   1.000 25.397 0 166 ASN   A ND2  1 ? 
ATOM   913  H  H    . ASN   A 1 54  ? -20.770 18.177  6.653   1.000 21.423 0 166 ASN   A H    1 c 
ATOM   914  H  HA   . ASN   A 1 54  ? -22.154 19.662  7.490   1.000 22.177 0 166 ASN   A HA   1 c 
ATOM   915  H  HB2  . ASN   A 1 54  ? -23.741 18.201  6.582   1.000 23.394 0 166 ASN   A HB2  1 c 
ATOM   916  H  HB3  . ASN   A 1 54  ? -23.827 17.421  7.954   1.000 23.367 0 166 ASN   A HB3  1 c 
ATOM   917  H  HD21 . ASN   A 1 54  ? -23.882 20.845  7.407   1.000 25.248 0 166 ASN   A HD21 1 c 
ATOM   918  H  HD22 . ASN   A 1 54  ? -25.101 21.113  8.302   1.000 25.316 0 166 ASN   A HD22 1 c 
ATOM   919  N  N    . ASN   A 1 55  ? -20.798 19.165  9.818   1.000 21.474 0 167 ASN   A N    1 ? 
ATOM   920  C  CA   . ASN   A 1 55  ? -20.422 19.450  11.201  1.000 22.006 0 167 ASN   A CA   1 ? 
ATOM   921  C  C    . ASN   A 1 55  ? -20.787 18.290  12.130  1.000 22.499 0 167 ASN   A C    1 ? 
ATOM   922  O  O    . ASN   A 1 55  ? -21.025 18.508  13.320  1.000 23.537 0 167 ASN   A O    1 ? 
ATOM   923  C  CB   . ASN   A 1 55  ? -21.004 20.784  11.660  1.000 22.654 0 167 ASN   A CB   1 ? 
ATOM   924  C  CG   . ASN   A 1 55  ? -20.463 21.935  10.846  1.000 23.415 0 167 ASN   A CG   1 ? 
ATOM   925  O  OD1  . ASN   A 1 55  ? -21.214 22.584  10.110  1.000 24.648 0 167 ASN   A OD1  1 ? 
ATOM   926  N  ND2  . ASN   A 1 55  ? -19.165 22.179  10.937  1.000 24.225 0 167 ASN   A ND2  1 ? 
ATOM   927  H  H    . ASN   A 1 55  ? -20.132 19.132  9.193   1.000 21.611 0 167 ASN   A H    1 c 
ATOM   928  H  HA   . ASN   A 1 55  ? -19.444 19.545  11.226  1.000 22.080 0 167 ASN   A HA   1 c 
ATOM   929  H  HB2  . ASN   A 1 55  ? -21.977 20.760  11.577  1.000 22.657 0 167 ASN   A HB2  1 c 
ATOM   930  H  HB3  . ASN   A 1 55  ? -20.785 20.925  12.602  1.000 22.651 0 167 ASN   A HB3  1 c 
ATOM   931  H  HD21 . ASN   A 1 55  ? -18.653 21.693  11.472  1.000 24.006 0 167 ASN   A HD21 1 c 
ATOM   932  H  HD22 . ASN   A 1 55  ? -18.807 22.827  10.451  1.000 24.066 0 167 ASN   A HD22 1 c 
ATOM   933  N  N    . ARG   A 1 56  ? -20.813 17.070  11.579  1.000 21.936 0 168 ARG   A N    1 ? 
ATOM   934  C  CA   A ARG   A 1 56  ? -21.026 15.848  12.346  0.500 21.734 0 168 ARG   A CA   1 ? 
ATOM   935  C  CA   B ARG   A 1 56  ? -21.009 15.856  12.361  0.500 21.684 0 168 ARG   A CA   1 ? 
ATOM   936  C  C    . ARG   A 1 56  ? -19.936 14.832  11.988  1.000 20.325 0 168 ARG   A C    1 ? 
ATOM   937  O  O    . ARG   A 1 56  ? -19.384 14.860  10.885  1.000 19.750 0 168 ARG   A O    1 ? 
ATOM   938  C  CB   A ARG   A 1 56  ? -22.382 15.186  12.057  0.500 23.258 0 168 ARG   A CB   1 ? 
ATOM   939  C  CB   B ARG   A 1 56  ? -22.381 15.206  12.144  0.500 23.113 0 168 ARG   A CB   1 ? 
ATOM   940  C  CG   A ARG   A 1 56  ? -23.616 15.833  12.673  0.500 24.805 0 168 ARG   A CG   1 ? 
ATOM   941  C  CG   B ARG   A 1 56  ? -23.563 16.002  12.677  0.500 24.552 0 168 ARG   A CG   1 ? 
ATOM   942  C  CD   A ARG   A 1 56  ? -24.548 16.434  11.635  0.500 26.243 0 168 ARG   A CD   1 ? 
ATOM   943  C  CD   B ARG   A 1 56  ? -24.404 16.569  11.548  0.500 25.781 0 168 ARG   A CD   1 ? 
ATOM   944  N  NE   A ARG   A 1 56  ? -25.821 16.907  12.191  0.500 27.603 0 168 ARG   A NE   1 ? 
ATOM   945  N  NE   B ARG   A 1 56  ? -25.376 17.581  11.973  0.500 27.064 0 168 ARG   A NE   1 ? 
ATOM   946  C  CZ   A ARG   A 1 56  ? -26.223 18.171  12.181  0.500 28.735 0 168 ARG   A CZ   1 ? 
ATOM   947  C  CZ   B ARG   A 1 56  ? -26.661 17.326  12.178  0.500 27.708 0 168 ARG   A CZ   1 ? 
ATOM   948  N  NH1  A ARG   A 1 56  ? -27.467 18.473  12.506  0.500 29.616 0 168 ARG   A NH1  1 ? 
ATOM   949  N  NH1  B ARG   A 1 56  ? -27.071 16.074  12.264  0.500 28.007 0 168 ARG   A NH1  1 ? 
ATOM   950  N  NH2  A ARG   A 1 56  ? -25.391 19.124  11.803  0.500 29.226 0 168 ARG   A NH2  1 ? 
ATOM   951  N  NH2  B ARG   A 1 56  ? -27.521 18.317  12.336  0.500 28.551 0 168 ARG   A NH2  1 ? 
ATOM   952  H  H    . ARG   A 1 56  ? -20.696 16.994  10.676  1.000 21.917 0 168 ARG   A H    1 c 
ATOM   953  H  HA   A ARG   A 1 56  ? -20.959 16.061  13.311  0.500 21.728 0 168 ARG   A HA   1 c 
ATOM   954  H  HA   B ARG   A 1 56  ? -20.909 16.080  13.321  0.500 21.684 0 168 ARG   A HA   1 c 
ATOM   955  H  HB2  A ARG   A 1 56  ? -22.505 15.164  11.084  0.500 23.207 0 168 ARG   A HB2  1 c 
ATOM   956  H  HB2  B ARG   A 1 56  ? -22.508 15.067  11.180  0.500 23.081 0 168 ARG   A HB2  1 c 
ATOM   957  H  HB3  A ARG   A 1 56  ? -22.339 14.256  12.365  0.500 23.201 0 168 ARG   A HB3  1 c 
ATOM   958  H  HB3  B ARG   A 1 56  ? -22.380 14.323  12.571  0.500 23.066 0 168 ARG   A HB3  1 c 
ATOM   959  H  HG2  A ARG   A 1 56  ? -24.108 15.159  13.190  0.500 24.786 0 168 ARG   A HG2  1 c 
ATOM   960  H  HG2  B ARG   A 1 56  ? -24.123 15.419  13.235  0.500 24.532 0 168 ARG   A HG2  1 c 
ATOM   961  H  HG3  A ARG   A 1 56  ? -23.332 16.540  13.293  0.500 24.783 0 168 ARG   A HG3  1 c 
ATOM   962  H  HG3  B ARG   A 1 56  ? -23.234 16.740  13.235  0.500 24.523 0 168 ARG   A HG3  1 c 
ATOM   963  H  HD2  A ARG   A 1 56  ? -24.096 17.179  11.196  0.500 26.223 0 168 ARG   A HD2  1 c 
ATOM   964  H  HD2  B ARG   A 1 56  ? -23.809 16.959  10.880  0.500 25.802 0 168 ARG   A HD2  1 c 
ATOM   965  H  HD3  A ARG   A 1 56  ? -24.733 15.756  10.952  0.500 26.254 0 168 ARG   A HD3  1 c 
ATOM   966  H  HD3  B ARG   A 1 56  ? -24.884 15.831  11.119  0.500 25.824 0 168 ARG   A HD3  1 c 
ATOM   967  H  HE   A ARG   A 1 56  ? -26.350 16.320  12.558  0.500 27.673 0 168 ARG   A HE   1 c 
ATOM   968  H  HE   B ARG   A 1 56  ? -25.095 18.396  12.100  0.500 27.037 0 168 ARG   A HE   1 c 
ATOM   969  H  HH11 A ARG   A 1 56  ? -27.728 19.317  12.505  0.500 29.545 0 168 ARG   A HH11 1 c 
ATOM   970  H  HH11 B ARG   A 1 56  ? -27.934 15.897  12.329  0.500 28.122 0 168 ARG   A HH11 1 c 
ATOM   971  H  HH12 A ARG   A 1 56  ? -28.034 17.829  12.718  0.500 29.539 0 168 ARG   A HH12 1 c 
ATOM   972  H  HH12 B ARG   A 1 56  ? -26.478 15.418  12.257  0.500 28.100 0 168 ARG   A HH12 1 c 
ATOM   973  H  HH21 A ARG   A 1 56  ? -25.680 19.956  11.726  0.500 29.190 0 168 ARG   A HH21 1 c 
ATOM   974  H  HH21 B ARG   A 1 56  ? -28.374 18.138  12.484  0.500 28.464 0 168 ARG   A HH21 1 c 
ATOM   975  H  HH22 A ARG   A 1 56  ? -24.545 18.927  11.634  0.500 29.210 0 168 ARG   A HH22 1 c 
ATOM   976  H  HH22 B ARG   A 1 56  ? -27.240 19.153  12.290  0.500 28.422 0 168 ARG   A HH22 1 c 
ATOM   977  N  N    . ARG   A 1 57  ? -19.646 13.929  12.929  1.000 18.221 0 169 ARG   A N    1 ? 
ATOM   978  C  CA   . ARG   A 1 57  ? -18.751 12.810  12.673  1.000 17.663 0 169 ARG   A CA   1 ? 
ATOM   979  C  C    . ARG   A 1 57  ? -19.614 11.580  12.396  1.000 16.756 0 169 ARG   A C    1 ? 
ATOM   980  O  O    . ARG   A 1 57  ? -20.575 11.327  13.123  1.000 18.522 0 169 ARG   A O    1 ? 
ATOM   981  C  CB   . ARG   A 1 57  ? -17.784 12.627  13.849  1.000 18.365 0 169 ARG   A CB   1 ? 
ATOM   982  C  CG   . ARG   A 1 57  ? -17.113 13.933  14.255  1.000 19.533 0 169 ARG   A CG   1 ? 
ATOM   983  C  CD   . ARG   A 1 57  ? -15.918 13.771  15.175  1.000 20.892 0 169 ARG   A CD   1 ? 
ATOM   984  N  NE   . ARG   A 1 57  ? -16.227 12.971  16.363  1.000 22.169 0 169 ARG   A NE   1 ? 
ATOM   985  C  CZ   . ARG   A 1 57  ? -15.361 12.671  17.324  1.000 23.700 0 169 ARG   A CZ   1 ? 
ATOM   986  N  NH1  . ARG   A 1 57  ? -15.737 11.893  18.325  1.000 24.004 0 169 ARG   A NH1  1 ? 
ATOM   987  N  NH2  . ARG   A 1 57  ? -14.125 13.140  17.279  1.000 25.048 0 169 ARG   A NH2  1 ? 
ATOM   988  H  H    . ARG   A 1 57  ? -20.013 14.014  13.761  1.000 18.454 0 169 ARG   A H    1 c 
ATOM   989  H  HA   . ARG   A 1 57  ? -18.219 13.015  11.866  1.000 17.650 0 169 ARG   A HA   1 c 
ATOM   990  H  HB2  . ARG   A 1 57  ? -18.276 12.265  14.615  1.000 18.407 0 169 ARG   A HB2  1 c 
ATOM   991  H  HB3  . ARG   A 1 57  ? -17.094 11.977  13.598  1.000 18.337 0 169 ARG   A HB3  1 c 
ATOM   992  H  HG2  . ARG   A 1 57  ? -16.822 14.402  13.446  1.000 19.509 0 169 ARG   A HG2  1 c 
ATOM   993  H  HG3  . ARG   A 1 57  ? -17.775 14.504  14.703  1.000 19.508 0 169 ARG   A HG3  1 c 
ATOM   994  H  HD2  . ARG   A 1 57  ? -15.188 13.345  14.681  1.000 20.890 0 169 ARG   A HD2  1 c 
ATOM   995  H  HD3  . ARG   A 1 57  ? -15.613 14.658  15.457  1.000 20.889 0 169 ARG   A HD3  1 c 
ATOM   996  H  HE   . ARG   A 1 57  ? -17.040 12.673  16.454  1.000 22.118 0 169 ARG   A HE   1 c 
ATOM   997  H  HH11 . ARG   A 1 57  ? -15.154 11.665  18.949  1.000 23.996 0 169 ARG   A HH11 1 c 
ATOM   998  H  HH12 . ARG   A 1 57  ? -16.570 11.601  18.369  1.000 23.991 0 169 ARG   A HH12 1 c 
ATOM   999  H  HH21 . ARG   A 1 57  ? -13.565 12.962  17.936  1.000 24.847 0 169 ARG   A HH21 1 c 
ATOM   1000 H  HH22 . ARG   A 1 57  ? -13.856 13.632  16.597  1.000 24.727 0 169 ARG   A HH22 1 c 
ATOM   1001 N  N    . VAL   A 1 58  ? -19.292 10.854  11.320  1.000 15.532 0 170 VAL   A N    1 ? 
ATOM   1002 C  CA   . VAL   A 1 58  ? -20.075 9.704   10.887  1.000 15.133 0 170 VAL   A CA   1 ? 
ATOM   1003 C  C    . VAL   A 1 58  ? -19.135 8.674   10.265  1.000 14.141 0 170 VAL   A C    1 ? 
ATOM   1004 O  O    . VAL   A 1 58  ? -18.147 9.057   9.643   1.000 14.597 0 170 VAL   A O    1 ? 
ATOM   1005 C  CB   . VAL   A 1 58  ? -21.169 10.125  9.884   1.000 15.608 0 170 VAL   A CB   1 ? 
ATOM   1006 C  CG1  . VAL   A 1 58  ? -20.593 10.732  8.608   1.000 16.144 0 170 VAL   A CG1  1 ? 
ATOM   1007 C  CG2  . VAL   A 1 58  ? -22.109 8.975   9.539   1.000 15.841 0 170 VAL   A CG2  1 ? 
ATOM   1008 H  H    . VAL   A 1 58  ? -18.553 11.087  10.835  1.000 15.634 0 170 VAL   A H    1 c 
ATOM   1009 H  HA   . VAL   A 1 58  ? -20.503 9.305   11.668  1.000 15.103 0 170 VAL   A HA   1 c 
ATOM   1010 H  HB   . VAL   A 1 58  ? -21.708 10.824  10.324  1.000 15.621 0 170 VAL   A HB   1 c 
ATOM   1011 H  HG11 . VAL   A 1 58  ? -20.046 10.073  8.150   1.000 16.077 0 170 VAL   A HG11 1 c 
ATOM   1012 H  HG12 . VAL   A 1 58  ? -20.048 11.506  8.832   1.000 16.064 0 170 VAL   A HG12 1 c 
ATOM   1013 H  HG13 . VAL   A 1 58  ? -21.319 11.008  8.024   1.000 16.085 0 170 VAL   A HG13 1 c 
ATOM   1014 H  HG21 . VAL   A 1 58  ? -22.779 9.283   8.906   1.000 15.817 0 170 VAL   A HG21 1 c 
ATOM   1015 H  HG22 . VAL   A 1 58  ? -22.549 8.663   10.347  1.000 15.836 0 170 VAL   A HG22 1 c 
ATOM   1016 H  HG23 . VAL   A 1 58  ? -21.603 8.246   9.143   1.000 15.809 0 170 VAL   A HG23 1 c 
ATOM   1017 N  N    . ILE   A 1 59  ? -19.455 7.385   10.436  1.000 13.653 0 171 ILE   A N    1 ? 
ATOM   1018 C  CA   . ILE   A 1 59  ? -18.827 6.306   9.678   1.000 13.868 0 171 ILE   A CA   1 ? 
ATOM   1019 C  C    . ILE   A 1 59  ? -19.747 5.958   8.508   1.000 13.248 0 171 ILE   A C    1 ? 
ATOM   1020 O  O    . ILE   A 1 59  ? -20.902 5.597   8.731   1.000 14.118 0 171 ILE   A O    1 ? 
ATOM   1021 C  CB   . ILE   A 1 59  ? -18.581 5.053   10.542  1.000 15.060 0 171 ILE   A CB   1 ? 
ATOM   1022 C  CG1  . ILE   A 1 59  ? -17.995 5.376   11.922  1.000 15.910 0 171 ILE   A CG1  1 ? 
ATOM   1023 C  CG2  . ILE   A 1 59  ? -17.731 4.036   9.777   1.000 15.304 0 171 ILE   A CG2  1 ? 
ATOM   1024 C  CD1  . ILE   A 1 59  ? -16.516 5.702   11.918  1.000 16.421 0 171 ILE   A CD1  1 ? 
ATOM   1025 H  H    . ILE   A 1 59  ? -20.097 7.169   11.050  1.000 13.779 0 171 ILE   A H    1 c 
ATOM   1026 H  HA   . ILE   A 1 59  ? -17.970 6.620   9.330   1.000 13.873 0 171 ILE   A HA   1 c 
ATOM   1027 H  HB   . ILE   A 1 59  ? -19.450 4.639   10.696  1.000 15.069 0 171 ILE   A HB   1 c 
ATOM   1028 H  HG12 . ILE   A 1 59  ? -18.480 6.136   12.301  1.000 15.817 0 171 ILE   A HG12 1 c 
ATOM   1029 H  HG13 . ILE   A 1 59  ? -18.142 4.608   12.510  1.000 15.838 0 171 ILE   A HG13 1 c 
ATOM   1030 H  HG21 . ILE   A 1 59  ? -17.546 3.271   10.348  1.000 15.272 0 171 ILE   A HG21 1 c 
ATOM   1031 H  HG22 . ILE   A 1 59  ? -16.893 4.447   9.507   1.000 15.293 0 171 ILE   A HG22 1 c 
ATOM   1032 H  HG23 . ILE   A 1 59  ? -18.211 3.737   8.986   1.000 15.258 0 171 ILE   A HG23 1 c 
ATOM   1033 H  HD11 . ILE   A 1 59  ? -16.005 4.926   11.620  1.000 16.346 0 171 ILE   A HD11 1 c 
ATOM   1034 H  HD12 . ILE   A 1 59  ? -16.236 5.943   12.821  1.000 16.371 0 171 ILE   A HD12 1 c 
ATOM   1035 H  HD13 . ILE   A 1 59  ? -16.347 6.451   11.316  1.000 16.358 0 171 ILE   A HD13 1 c 
ATOM   1036 N  N    . VAL   A 1 60  ? -19.238 6.075   7.277   1.000 12.875 0 172 VAL   A N    1 ? 
ATOM   1037 C  CA   . VAL   A 1 60  ? -19.952 5.657   6.076   1.000 12.837 0 172 VAL   A CA   1 ? 
ATOM   1038 C  C    . VAL   A 1 60  ? -19.313 4.372   5.556   1.000 12.461 0 172 VAL   A C    1 ? 
ATOM   1039 O  O    . VAL   A 1 60  ? -18.099 4.334   5.343   1.000 12.780 0 172 VAL   A O    1 ? 
ATOM   1040 C  CB   . VAL   A 1 60  ? -19.927 6.766   5.005   1.000 13.811 0 172 VAL   A CB   1 ? 
ATOM   1041 C  CG1  . VAL   A 1 60  ? -20.647 6.346   3.730   1.000 14.222 0 172 VAL   A CG1  1 ? 
ATOM   1042 C  CG2  . VAL   A 1 60  ? -20.503 8.074   5.532   1.000 14.325 0 172 VAL   A CG2  1 ? 
ATOM   1043 H  H    . VAL   A 1 60  ? -18.405 6.436   7.181   1.000 12.891 0 172 VAL   A H    1 c 
ATOM   1044 H  HA   . VAL   A 1 60  ? -20.882 5.475   6.312   1.000 12.883 0 172 VAL   A HA   1 c 
ATOM   1045 H  HB   . VAL   A 1 60  ? -18.981 6.926   4.776   1.000 13.772 0 172 VAL   A HB   1 c 
ATOM   1046 H  HG11 . VAL   A 1 60  ? -21.570 6.123   3.937   1.000 14.212 0 172 VAL   A HG11 1 c 
ATOM   1047 H  HG12 . VAL   A 1 60  ? -20.206 5.571   3.345   1.000 14.162 0 172 VAL   A HG12 1 c 
ATOM   1048 H  HG13 . VAL   A 1 60  ? -20.628 7.079   3.091   1.000 14.158 0 172 VAL   A HG13 1 c 
ATOM   1049 H  HG21 . VAL   A 1 60  ? -20.489 8.742   4.827   1.000 14.247 0 172 VAL   A HG21 1 c 
ATOM   1050 H  HG22 . VAL   A 1 60  ? -19.970 8.385   6.283   1.000 14.253 0 172 VAL   A HG22 1 c 
ATOM   1051 H  HG23 . VAL   A 1 60  ? -21.419 7.931   5.822   1.000 14.309 0 172 VAL   A HG23 1 c 
ATOM   1052 N  N    . CYS   A 1 61  ? -20.121 3.327   5.354   1.000 12.304 0 173 CYS   A N    1 ? 
ATOM   1053 C  CA   . CYS   A 1 61  ? -19.686 2.089   4.720   1.000 12.275 0 173 CYS   A CA   1 ? 
ATOM   1054 C  C    . CYS   A 1 61  ? -20.473 1.863   3.435   1.000 12.076 0 173 CYS   A C    1 ? 
ATOM   1055 O  O    . CYS   A 1 61  ? -21.662 2.176   3.381   1.000 12.653 0 173 CYS   A O    1 ? 
ATOM   1056 C  CB   . CYS   A 1 61  ? -19.856 0.898   5.652   1.000 12.928 0 173 CYS   A CB   1 ? 
ATOM   1057 S  SG   . CYS   A 1 61  ? -18.818 1.022   7.127   1.000 14.451 0 173 CYS   A SG   1 ? 
ATOM   1058 H  H    . CYS   A 1 61  ? -20.990 3.390   5.627   1.000 12.344 0 173 CYS   A H    1 c 
ATOM   1059 H  HA   . CYS   A 1 61  ? -18.731 2.179   4.492   1.000 12.276 0 173 CYS   A HA   1 c 
ATOM   1060 H  HB2  . CYS   A 1 61  ? -20.797 0.836   5.931   1.000 12.934 0 173 CYS   A HB2  1 c 
ATOM   1061 H  HB3  . CYS   A 1 61  ? -19.625 0.072   5.171   1.000 12.968 0 173 CYS   A HB3  1 c 
ATOM   1062 H  HG   . CYS   A 1 61  ? -19.157 -0.012  7.664   0.000 14.741 0 173 CYS   A HG   1 c 
ATOM   1063 N  N    . ASN   A 1 62  ? -19.822 1.304   2.412   1.000 11.871 0 174 ASN   A N    1 ? 
ATOM   1064 C  CA   . ASN   A 1 62  ? -20.473 1.084   1.128   1.000 11.968 0 174 ASN   A CA   1 ? 
ATOM   1065 C  C    . ASN   A 1 62  ? -19.645 0.102   0.301   1.000 12.048 0 174 ASN   A C    1 ? 
ATOM   1066 O  O    . ASN   A 1 62  ? -18.537 -0.282  0.696   1.000 12.370 0 174 ASN   A O    1 ? 
ATOM   1067 C  CB   . ASN   A 1 62  ? -20.702 2.405   0.394   1.000 12.036 0 174 ASN   A CB   1 ? 
ATOM   1068 C  CG   . ASN   A 1 62  ? -21.889 2.398   -0.547  1.000 12.102 0 174 ASN   A CG   1 ? 
ATOM   1069 O  OD1  . ASN   A 1 62  ? -22.477 1.348   -0.835  1.000 12.341 0 174 ASN   A OD1  1 ? 
ATOM   1070 N  ND2  . ASN   A 1 62  ? -22.246 3.571   -1.044  1.000 12.231 0 174 ASN   A ND2  1 ? 
ATOM   1071 H  H    . ASN   A 1 62  ? -18.950 1.053   2.516   1.000 11.895 0 174 ASN   A H    1 c 
ATOM   1072 H  HA   . ASN   A 1 62  ? -21.355 0.680   1.297   1.000 11.967 0 174 ASN   A HA   1 c 
ATOM   1073 H  HB2  . ASN   A 1 62  ? -20.832 3.116   1.053   1.000 12.023 0 174 ASN   A HB2  1 c 
ATOM   1074 H  HB3  . ASN   A 1 62  ? -19.899 2.623   -0.120  1.000 12.027 0 174 ASN   A HB3  1 c 
ATOM   1075 H  HD21 . ASN   A 1 62  ? -21.810 4.305   -0.801  1.000 12.165 0 174 ASN   A HD21 1 c 
ATOM   1076 H  HD22 . ASN   A 1 62  ? -22.917 3.625   -1.619  1.000 12.187 0 174 ASN   A HD22 1 c 
ATOM   1077 N  N    . THR   A 1 63  ? -20.222 -0.280  -0.841  1.000 12.084 0 175 THR   A N    1 ? 
ATOM   1078 C  CA   . THR   A 1 63  ? -19.638 -1.136  -1.861  1.000 12.245 0 175 THR   A CA   1 ? 
ATOM   1079 C  C    . THR   A 1 63  ? -19.723 -0.378  -3.184  1.000 12.636 0 175 THR   A C    1 ? 
ATOM   1080 O  O    . THR   A 1 63  ? -20.726 0.301   -3.426  1.000 13.014 0 175 THR   A O    1 ? 
ATOM   1081 C  CB   . THR   A 1 63  ? -20.430 -2.448  -1.893  1.000 12.383 0 175 THR   A CB   1 ? 
ATOM   1082 O  OG1  . THR   A 1 63  ? -20.185 -3.124  -0.664  1.000 12.495 0 175 THR   A OG1  1 ? 
ATOM   1083 C  CG2  . THR   A 1 63  ? -20.094 -3.360  -3.058  1.000 12.495 0 175 THR   A CG2  1 ? 
ATOM   1084 H  H    . THR   A 1 63  ? -21.073 0.016   -0.987  1.000 12.081 0 175 THR   A H    1 c 
ATOM   1085 H  HA   . THR   A 1 63  ? -18.702 -1.320  -1.637  1.000 12.259 0 175 THR   A HA   1 c 
ATOM   1086 H  HB   . THR   A 1 63  ? -21.392 -2.233  -1.944  1.000 12.406 0 175 THR   A HB   1 c 
ATOM   1087 H  HG1  . THR   A 1 63  ? -19.348 -3.300  -0.577  0.000 12.325 0 175 THR   A HG1  1 c 
ATOM   1088 H  HG21 . THR   A 1 63  ? -20.636 -4.165  -3.007  1.000 12.463 0 175 THR   A HG21 1 c 
ATOM   1089 H  HG22 . THR   A 1 63  ? -19.154 -3.602  -3.022  1.000 12.456 0 175 THR   A HG22 1 c 
ATOM   1090 H  HG23 . THR   A 1 63  ? -20.277 -2.901  -3.894  1.000 12.484 0 175 THR   A HG23 1 c 
ATOM   1091 N  N    . LYS   A 1 64  ? -18.668 -0.483  -4.005  1.000 12.639 0 176 LYS   A N    1 ? 
ATOM   1092 C  CA   . LYS   A 1 64  ? -18.643 0.078   -5.351  1.000 13.150 0 176 LYS   A CA   1 ? 
ATOM   1093 C  C    . LYS   A 1 64  ? -18.600 -1.077  -6.349  1.000 13.173 0 176 LYS   A C    1 ? 
ATOM   1094 O  O    . LYS   A 1 64  ? -17.680 -1.886  -6.315  1.000 13.562 0 176 LYS   A O    1 ? 
ATOM   1095 C  CB   . LYS   A 1 64  ? -17.422 0.996   -5.512  1.000 14.262 0 176 LYS   A CB   1 ? 
ATOM   1096 C  CG   . LYS   A 1 64  ? -17.466 1.997   -6.662  1.000 16.288 0 176 LYS   A CG   1 ? 
ATOM   1097 C  CD   . LYS   A 1 64  ? -16.121 2.684   -6.866  1.000 17.953 0 176 LYS   A CD   1 ? 
ATOM   1098 C  CE   . LYS   A 1 64  ? -16.207 4.012   -7.549  1.000 19.772 0 176 LYS   A CE   1 ? 
ATOM   1099 N  NZ   . LYS   A 1 64  ? -14.866 4.547   -7.800  1.000 20.969 0 176 LYS   A NZ   1 ? 
ATOM   1100 H  H    . LYS   A 1 64  ? -17.927 -0.927  -3.708  1.000 12.671 0 176 LYS   A H    1 c 
ATOM   1101 H  HA   . LYS   A 1 64  ? -19.468 0.604   -5.493  1.000 13.173 0 176 LYS   A HA   1 c 
ATOM   1102 H  HB2  . LYS   A 1 64  ? -17.305 1.498   -4.678  1.000 14.298 0 176 LYS   A HB2  1 c 
ATOM   1103 H  HB3  . LYS   A 1 64  ? -16.626 0.435   -5.628  1.000 14.307 0 176 LYS   A HB3  1 c 
ATOM   1104 H  HG2  . LYS   A 1 64  ? -17.719 1.525   -7.485  1.000 16.096 0 176 LYS   A HG2  1 c 
ATOM   1105 H  HG3  . LYS   A 1 64  ? -18.152 2.673   -6.469  1.000 16.109 0 176 LYS   A HG3  1 c 
ATOM   1106 H  HD2  . LYS   A 1 64  ? -15.693 2.806   -5.991  1.000 17.931 0 176 LYS   A HD2  1 c 
ATOM   1107 H  HD3  . LYS   A 1 64  ? -15.545 2.093   -7.398  1.000 17.947 0 176 LYS   A HD3  1 c 
ATOM   1108 H  HE2  . LYS   A 1 64  ? -16.680 3.918   -8.395  1.000 19.643 0 176 LYS   A HE2  1 c 
ATOM   1109 H  HE3  . LYS   A 1 64  ? -16.700 4.637   -6.988  1.000 19.637 0 176 LYS   A HE3  1 c 
ATOM   1110 H  HZ1  . LYS   A 1 64  ? -14.413 3.990   -8.353  1.000 20.811 0 176 LYS   A HZ1  1 c 
ATOM   1111 H  HZ2  . LYS   A 1 64  ? -14.414 4.623   -7.019  1.000 20.823 0 176 LYS   A HZ2  1 c 
ATOM   1112 H  HZ3  . LYS   A 1 64  ? -14.930 5.363   -8.188  1.000 20.803 0 176 LYS   A HZ3  1 c 
ATOM   1113 N  N    . LEU   A 1 65  ? -19.612 -1.154  -7.220  1.000 13.499 0 177 LEU   A N    1 ? 
ATOM   1114 C  CA   . LEU   A 1 65  ? -19.715 -2.189  -8.242  1.000 14.017 0 177 LEU   A CA   1 ? 
ATOM   1115 C  C    . LEU   A 1 65  ? -19.798 -1.514  -9.607  1.000 15.083 0 177 LEU   A C    1 ? 
ATOM   1116 O  O    . LEU   A 1 65  ? -20.639 -0.636  -9.798  1.000 15.528 0 177 LEU   A O    1 ? 
ATOM   1117 C  CB   . LEU   A 1 65  ? -20.959 -3.050  -8.005  1.000 14.855 0 177 LEU   A CB   1 ? 
ATOM   1118 C  CG   . LEU   A 1 65  ? -21.013 -3.819  -6.683  1.000 15.879 0 177 LEU   A CG   1 ? 
ATOM   1119 C  CD1  . LEU   A 1 65  ? -22.334 -4.550  -6.545  1.000 16.882 0 177 LEU   A CD1  1 ? 
ATOM   1120 C  CD2  . LEU   A 1 65  ? -19.856 -4.796  -6.562  1.000 16.196 0 177 LEU   A CD2  1 ? 
ATOM   1121 H  H    . LEU   A 1 65  ? -20.274 -0.527  -7.174  1.000 13.462 0 177 LEU   A H    1 c 
ATOM   1122 H  HA   . LEU   A 1 65  ? -18.907 -2.757  -8.208  1.000 14.064 0 177 LEU   A HA   1 c 
ATOM   1123 H  HB2  . LEU   A 1 65  ? -21.750 -2.465  -8.055  1.000 14.873 0 177 LEU   A HB2  1 c 
ATOM   1124 H  HB3  . LEU   A 1 65  ? -21.027 -3.699  -8.743  1.000 14.862 0 177 LEU   A HB3  1 c 
ATOM   1125 H  HG   . LEU   A 1 65  ? -20.943 -3.164  -5.943  1.000 15.826 0 177 LEU   A HG   1 c 
ATOM   1126 H  HD11 . LEU   A 1 65  ? -23.065 -3.908  -6.570  1.000 16.771 0 177 LEU   A HD11 1 c 
ATOM   1127 H  HD12 . LEU   A 1 65  ? -22.354 -5.028  -5.699  1.000 16.744 0 177 LEU   A HD12 1 c 
ATOM   1128 H  HD13 . LEU   A 1 65  ? -22.434 -5.182  -7.276  1.000 16.741 0 177 LEU   A HD13 1 c 
ATOM   1129 H  HD21 . LEU   A 1 65  ? -19.015 -4.310  -6.577  1.000 16.140 0 177 LEU   A HD21 1 c 
ATOM   1130 H  HD22 . LEU   A 1 65  ? -19.881 -5.422  -7.305  1.000 16.151 0 177 LEU   A HD22 1 c 
ATOM   1131 H  HD23 . LEU   A 1 65  ? -19.930 -5.284  -5.725  1.000 16.150 0 177 LEU   A HD23 1 c 
ATOM   1132 N  N    . ASP   A 1 66  ? -18.944 -1.934  -10.550 1.000 15.630 0 178 ASP   A N    1 ? 
ATOM   1133 C  CA   . ASP   A 1 66  ? -18.937 -1.366  -11.893 1.000 17.277 0 178 ASP   A CA   1 ? 
ATOM   1134 C  C    . ASP   A 1 66  ? -18.878 0.161   -11.806 1.000 17.388 0 178 ASP   A C    1 ? 
ATOM   1135 O  O    . ASP   A 1 66  ? -19.540 0.858   -12.577 1.000 18.164 0 178 ASP   A O    1 ? 
ATOM   1136 C  CB   . ASP   A 1 66  ? -20.116 -1.881  -12.709 1.000 18.668 0 178 ASP   A CB   1 ? 
ATOM   1137 C  CG   . ASP   A 1 66  ? -20.051 -3.359  -13.072 1.000 20.664 0 178 ASP   A CG   1 ? 
ATOM   1138 O  OD1  . ASP   A 1 66  ? -18.941 -3.931  -13.003 1.000 22.030 0 178 ASP   A OD1  1 ? 
ATOM   1139 O  OD2  . ASP   A 1 66  ? -21.108 -3.926  -13.416 1.000 24.155 0 178 ASP   A OD2  1 ? 
ATOM   1140 H  H    . ASP   A 1 66  ? -18.349 -2.599  -10.350 1.000 15.695 0 178 ASP   A H    1 c 
ATOM   1141 H  HA   . ASP   A 1 66  ? -18.120 -1.674  -12.347 1.000 17.219 0 178 ASP   A HA   1 c 
ATOM   1142 H  HB2  . ASP   A 1 66  ? -20.945 -1.722  -12.213 1.000 18.683 0 178 ASP   A HB2  1 c 
ATOM   1143 H  HB3  . ASP   A 1 66  ? -20.167 -1.373  -13.546 1.000 18.704 0 178 ASP   A HB3  1 c 
ATOM   1144 N  N    . ASN   A 1 67  ? -18.077 0.654   -10.849 1.000 17.706 0 179 ASN   A N    1 ? 
ATOM   1145 C  CA   . ASN   A 1 67  ? -17.771 2.069   -10.668 1.000 19.137 0 179 ASN   A CA   1 ? 
ATOM   1146 C  C    . ASN   A 1 67  ? -18.973 2.857   -10.138 1.000 19.708 0 179 ASN   A C    1 ? 
ATOM   1147 O  O    . ASN   A 1 67  ? -18.957 4.086   -10.189 1.000 22.086 0 179 ASN   A O    1 ? 
ATOM   1148 C  CB   . ASN   A 1 67  ? -17.186 2.670   -11.944 1.000 20.277 0 179 ASN   A CB   1 ? 
ATOM   1149 C  CG   . ASN   A 1 67  ? -15.905 3.424   -11.675 1.000 20.435 0 179 ASN   A CG   1 ? 
ATOM   1150 O  OD1  . ASN   A 1 67  ? -15.063 2.959   -10.895 1.000 20.633 0 179 ASN   A OD1  1 ? 
ATOM   1151 N  ND2  . ASN   A 1 67  ? -15.730 4.576   -12.306 1.000 21.204 0 179 ASN   A ND2  1 ? 
ATOM   1152 H  H    . ASN   A 1 67  ? -17.679 0.060   -10.282 1.000 17.812 0 179 ASN   A H    1 c 
ATOM   1153 H  HA   . ASN   A 1 67  ? -17.070 2.124   -9.981  1.000 19.106 0 179 ASN   A HA   1 c 
ATOM   1154 H  HB2  . ASN   A 1 67  ? -17.006 1.956   -12.586 1.000 20.097 0 179 ASN   A HB2  1 c 
ATOM   1155 H  HB3  . ASN   A 1 67  ? -17.840 3.278   -12.344 1.000 20.176 0 179 ASN   A HB3  1 c 
ATOM   1156 H  HD21 . ASN   A 1 67  ? -16.344 4.874   -12.873 1.000 21.042 0 179 ASN   A HD21 1 c 
ATOM   1157 H  HD22 . ASN   A 1 67  ? -14.993 5.049   -12.162 1.000 21.040 0 179 ASN   A HD22 1 c 
ATOM   1158 N  N    . ASN   A 1 68  ? -19.980 2.163   -9.589  1.000 18.970 0 180 ASN   A N    1 ? 
ATOM   1159 C  CA   . ASN   A 1 68  ? -21.159 2.795   -9.007  1.000 19.304 0 180 ASN   A CA   1 ? 
ATOM   1160 C  C    . ASN   A 1 68  ? -21.225 2.487   -7.512  1.000 17.179 0 180 ASN   A C    1 ? 
ATOM   1161 O  O    . ASN   A 1 68  ? -21.211 1.320   -7.129  1.000 16.430 0 180 ASN   A O    1 ? 
ATOM   1162 C  CB   . ASN   A 1 68  ? -22.448 2.314   -9.668  1.000 20.611 0 180 ASN   A CB   1 ? 
ATOM   1163 C  CG   . ASN   A 1 68  ? -22.500 2.603   -11.149 1.000 22.773 0 180 ASN   A CG   1 ? 
ATOM   1164 O  OD1  . ASN   A 1 68  ? -22.776 1.703   -11.949 1.000 25.480 0 180 ASN   A OD1  1 ? 
ATOM   1165 N  ND2  . ASN   A 1 68  ? -22.264 3.847   -11.533 1.000 24.378 0 180 ASN   A ND2  1 ? 
ATOM   1166 H  H    . ASN   A 1 68  ? -19.924 1.252   -9.564  1.000 19.095 0 180 ASN   A H    1 c 
ATOM   1167 H  HA   . ASN   A 1 68  ? -21.097 3.768   -9.133  1.000 19.092 0 180 ASN   A HA   1 c 
ATOM   1168 H  HB2  . ASN   A 1 68  ? -22.535 1.349   -9.530  1.000 20.714 0 180 ASN   A HB2  1 c 
ATOM   1169 H  HB3  . ASN   A 1 68  ? -23.210 2.748   -9.234  1.000 20.669 0 180 ASN   A HB3  1 c 
ATOM   1170 H  HD21 . ASN   A 1 68  ? -22.245 4.498   -10.931 1.000 23.979 0 180 ASN   A HD21 1 c 
ATOM   1171 H  HD22 . ASN   A 1 68  ? -22.127 4.028   -12.391 1.000 24.086 0 180 ASN   A HD22 1 c 
ATOM   1172 N  N    . TRP   A 1 69  ? -21.329 3.533   -6.683  1.000 16.371 0 181 TRP   A N    1 ? 
ATOM   1173 C  CA   . TRP   A 1 69  ? -21.551 3.367   -5.250  1.000 15.288 0 181 TRP   A CA   1 ? 
ATOM   1174 C  C    . TRP   A 1 69  ? -22.978 2.894   -4.984  1.000 15.509 0 181 TRP   A C    1 ? 
ATOM   1175 O  O    . TRP   A 1 69  ? -23.919 3.389   -5.599  1.000 16.642 0 181 TRP   A O    1 ? 
ATOM   1176 C  CB   . TRP   A 1 69  ? -21.257 4.668   -4.490  1.000 15.287 0 181 TRP   A CB   1 ? 
ATOM   1177 C  CG   . TRP   A 1 69  ? -19.791 4.990   -4.425  1.000 15.184 0 181 TRP   A CG   1 ? 
ATOM   1178 C  CD1  . TRP   A 1 69  ? -19.128 5.963   -5.112  1.000 15.461 0 181 TRP   A CD1  1 ? 
ATOM   1179 C  CD2  . TRP   A 1 69  ? -18.794 4.286   -3.654  1.000 14.725 0 181 TRP   A CD2  1 ? 
ATOM   1180 N  NE1  . TRP   A 1 69  ? -17.796 5.936   -4.800  1.000 15.421 0 181 TRP   A NE1  1 ? 
ATOM   1181 C  CE2  . TRP   A 1 69  ? -17.557 4.915   -3.917  1.000 14.826 0 181 TRP   A CE2  1 ? 
ATOM   1182 C  CE3  . TRP   A 1 69  ? -18.828 3.200   -2.772  1.000 14.542 0 181 TRP   A CE3  1 ? 
ATOM   1183 C  CZ2  . TRP   A 1 69  ? -16.371 4.486   -3.324  1.000 14.974 0 181 TRP   A CZ2  1 ? 
ATOM   1184 C  CZ3  . TRP   A 1 69  ? -17.651 2.774   -2.196  1.000 14.595 0 181 TRP   A CZ3  1 ? 
ATOM   1185 C  CH2  . TRP   A 1 69  ? -16.442 3.412   -2.467  1.000 14.559 0 181 TRP   A CH2  1 ? 
ATOM   1186 H  H    . TRP   A 1 69  ? -21.258 4.379   -7.021  1.000 16.308 0 181 TRP   A H    1 c 
ATOM   1187 H  HA   . TRP   A 1 69  ? -20.921 2.672   -4.919  1.000 15.434 0 181 TRP   A HA   1 c 
ATOM   1188 H  HB2  . TRP   A 1 69  ? -21.727 5.405   -4.935  1.000 15.266 0 181 TRP   A HB2  1 c 
ATOM   1189 H  HB3  . TRP   A 1 69  ? -21.607 4.584   -3.577  1.000 15.265 0 181 TRP   A HB3  1 c 
ATOM   1190 H  HD1  . TRP   A 1 69  ? -19.526 6.584   -5.700  1.000 15.405 0 181 TRP   A HD1  1 c 
ATOM   1191 H  HE1  . TRP   A 1 69  ? -17.192 6.477   -5.125  1.000 15.326 0 181 TRP   A HE1  1 c 
ATOM   1192 H  HE3  . TRP   A 1 69  ? -19.641 2.763   -2.583  1.000 14.572 0 181 TRP   A HE3  1 c 
ATOM   1193 H  HZ2  . TRP   A 1 69  ? -15.551 4.912   -3.511  1.000 14.906 0 181 TRP   A HZ2  1 c 
ATOM   1194 H  HZ3  . TRP   A 1 69  ? -17.665 2.044   -1.599  1.000 14.579 0 181 TRP   A HZ3  1 c 
ATOM   1195 H  HH2  . TRP   A 1 69  ? -15.655 3.101   -2.056  1.000 14.606 0 181 TRP   A HH2  1 c 
ATOM   1196 N  N    . GLY   A 1 70  ? -23.114 1.943   -4.053  1.000 14.227 0 182 GLY   A N    1 ? 
ATOM   1197 C  CA   . GLY   A 1 70  ? -24.405 1.379   -3.692  1.000 14.553 0 182 GLY   A CA   1 ? 
ATOM   1198 C  C    . GLY   A 1 70  ? -25.034 2.126   -2.519  1.000 14.553 0 182 GLY   A C    1 ? 
ATOM   1199 O  O    . GLY   A 1 70  ? -24.782 3.316   -2.335  1.000 14.848 0 182 GLY   A O    1 ? 
ATOM   1200 H  H    . GLY   A 1 70  ? -22.368 1.632   -3.626  1.000 14.373 0 182 GLY   A H    1 c 
ATOM   1201 H  HA2  . GLY   A 1 70  ? -25.008 1.418   -4.471  1.000 14.538 0 182 GLY   A HA2  1 c 
ATOM   1202 H  HA3  . GLY   A 1 70  ? -24.282 0.434   -3.451  1.000 14.558 0 182 GLY   A HA3  1 c 
ATOM   1203 N  N    A ARG   A 1 71  ? -25.810 1.379   -1.729  0.500 14.773 0 183 ARG   A N    1 ? 
ATOM   1204 N  N    B ARG   A 1 71  ? -25.885 1.437   -1.746  0.500 15.047 0 183 ARG   A N    1 ? 
ATOM   1205 C  CA   A ARG   A 1 71  ? -26.509 1.878   -0.557  0.500 15.056 0 183 ARG   A CA   1 ? 
ATOM   1206 C  CA   B ARG   A 1 71  ? -26.579 2.050   -0.619  0.500 15.595 0 183 ARG   A CA   1 ? 
ATOM   1207 C  C    A ARG   A 1 71  ? -25.526 2.096   0.590   0.500 14.666 0 183 ARG   A C    1 ? 
ATOM   1208 C  C    B ARG   A 1 71  ? -25.641 2.113   0.587   0.500 14.993 0 183 ARG   A C    1 ? 
ATOM   1209 O  O    A ARG   A 1 71  ? -24.856 1.148   1.003   0.500 15.049 0 183 ARG   A O    1 ? 
ATOM   1210 O  O    B ARG   A 1 71  ? -25.129 1.085   1.032   0.500 15.422 0 183 ARG   A O    1 ? 
ATOM   1211 C  CB   A ARG   A 1 71  ? -27.529 0.796   -0.191  0.500 15.519 0 183 ARG   A CB   1 ? 
ATOM   1212 C  CB   B ARG   A 1 71  ? -27.871 1.296   -0.271  0.500 16.652 0 183 ARG   A CB   1 ? 
ATOM   1213 C  CG   A ARG   A 1 71  ? -28.101 0.928   1.211   0.500 15.856 0 183 ARG   A CG   1 ? 
ATOM   1214 C  CG   B ARG   A 1 71  ? -28.996 1.406   -1.292  0.500 17.465 0 183 ARG   A CG   1 ? 
ATOM   1215 C  CD   A ARG   A 1 71  ? -28.894 2.211   1.330   0.500 16.334 0 183 ARG   A CD   1 ? 
ATOM   1216 C  CD   B ARG   A 1 71  ? -30.232 0.596   -0.900  0.500 18.765 0 183 ARG   A CD   1 ? 
ATOM   1217 N  NE   A ARG   A 1 71  ? -30.036 2.270   0.414   0.500 16.419 0 183 ARG   A NE   1 ? 
ATOM   1218 N  NE   B ARG   A 1 71  ? -31.302 0.626   -1.903  0.500 20.037 0 183 ARG   A NE   1 ? 
ATOM   1219 C  CZ   A ARG   A 1 71  ? -30.908 3.265   0.427   0.500 16.598 0 183 ARG   A CZ   1 ? 
ATOM   1220 C  CZ   B ARG   A 1 71  ? -32.250 1.554   -1.987  0.500 21.503 0 183 ARG   A CZ   1 ? 
ATOM   1221 N  NH1  A ARG   A 1 71  ? -31.949 3.262   -0.386  0.500 16.661 0 183 ARG   A NH1  1 ? 
ATOM   1222 N  NH1  B ARG   A 1 71  ? -33.174 1.472   -2.927  0.500 22.224 0 183 ARG   A NH1  1 ? 
ATOM   1223 N  NH2  A ARG   A 1 71  ? -30.729 4.261   1.270   0.500 16.661 0 183 ARG   A NH2  1 ? 
ATOM   1224 N  NH2  B ARG   A 1 71  ? -32.284 2.554   -1.124  0.500 21.812 0 183 ARG   A NH2  1 ? 
ATOM   1225 H  H    A ARG   A 1 71  ? -25.908 0.495   -1.940  0.500 14.802 0 183 ARG   A H    1 c 
ATOM   1226 H  H    B ARG   A 1 71  ? -26.039 0.556   -1.931  0.500 15.027 0 183 ARG   A H    1 c 
ATOM   1227 H  HA   A ARG   A 1 71  ? -26.959 2.731   -0.785  0.500 15.008 0 183 ARG   A HA   1 c 
ATOM   1228 H  HA   B ARG   A 1 71  ? -26.829 2.974   -0.876  0.500 15.523 0 183 ARG   A HA   1 c 
ATOM   1229 H  HB2  A ARG   A 1 71  ? -28.268 0.830   -0.836  0.500 15.507 0 183 ARG   A HB2  1 c 
ATOM   1230 H  HB2  B ARG   A 1 71  ? -27.651 0.347   -0.152  0.500 16.589 0 183 ARG   A HB2  1 c 
ATOM   1231 H  HB3  A ARG   A 1 71  ? -27.101 -0.082  -0.275  0.500 15.496 0 183 ARG   A HB3  1 c 
ATOM   1232 H  HB3  B ARG   A 1 71  ? -28.200 1.631   0.591   0.500 16.593 0 183 ARG   A HB3  1 c 
ATOM   1233 H  HG2  A ARG   A 1 71  ? -28.686 0.163   1.401   0.500 15.877 0 183 ARG   A HG2  1 c 
ATOM   1234 H  HG2  B ARG   A 1 71  ? -29.252 2.349   -1.390  0.500 17.508 0 183 ARG   A HG2  1 c 
ATOM   1235 H  HG3  A ARG   A 1 71  ? -27.368 0.935   1.865   0.500 15.890 0 183 ARG   A HG3  1 c 
ATOM   1236 H  HG3  B ARG   A 1 71  ? -28.672 1.089   -2.163  0.500 17.507 0 183 ARG   A HG3  1 c 
ATOM   1237 H  HD2  A ARG   A 1 71  ? -29.216 2.303   2.249   0.500 16.289 0 183 ARG   A HD2  1 c 
ATOM   1238 H  HD2  B ARG   A 1 71  ? -29.964 -0.334  -0.749  0.500 18.751 0 183 ARG   A HD2  1 c 
ATOM   1239 H  HD3  A ARG   A 1 71  ? -28.299 2.965   1.145   0.500 16.285 0 183 ARG   A HD3  1 c 
ATOM   1240 H  HD3  B ARG   A 1 71  ? -30.580 0.945   -0.055  0.500 18.762 0 183 ARG   A HD3  1 c 
ATOM   1241 H  HE   A ARG   A 1 71  ? -30.145 1.625   -0.161  0.500 16.432 0 183 ARG   A HE   1 c 
ATOM   1242 H  HE   B ARG   A 1 71  ? -31.320 -0.013  -2.494  0.500 20.047 0 183 ARG   A HE   1 c 
ATOM   1243 H  HH11 A ARG   A 1 71  ? -32.533 3.925   -0.354  0.500 16.648 0 183 ARG   A HH11 1 c 
ATOM   1244 H  HH11 B ARG   A 1 71  ? -33.815 2.080   -2.966  0.500 22.162 0 183 ARG   A HH11 1 c 
ATOM   1245 H  HH12 A ARG   A 1 71  ? -32.057 2.597   -0.959  0.500 16.649 0 183 ARG   A HH12 1 c 
ATOM   1246 H  HH12 B ARG   A 1 71  ? -33.146 0.812   -3.514  0.500 22.167 0 183 ARG   A HH12 1 c 
ATOM   1247 H  HH21 A ARG   A 1 71  ? -31.286 4.946   1.259   0.500 16.656 0 183 ARG   A HH21 1 c 
ATOM   1248 H  HH21 B ARG   A 1 71  ? -32.910 3.173   -1.194  0.500 21.815 0 183 ARG   A HH21 1 c 
ATOM   1249 H  HH22 A ARG   A 1 71  ? -30.053 4.239   1.837   0.500 16.648 0 183 ARG   A HH22 1 c 
ATOM   1250 H  HH22 B ARG   A 1 71  ? -31.680 2.599   -0.480  0.500 21.823 0 183 ARG   A HH22 1 c 
ATOM   1251 N  N    . GLU   A 1 72  ? -25.437 3.332   1.103   1.000 14.346 0 184 GLU   A N    1 ? 
ATOM   1252 C  CA   . GLU   A 1 72  ? -24.594 3.597   2.267   1.000 14.205 0 184 GLU   A CA   1 ? 
ATOM   1253 C  C    . GLU   A 1 72  ? -25.221 3.030   3.543   1.000 14.205 0 184 GLU   A C    1 ? 
ATOM   1254 O  O    . GLU   A 1 72  ? -26.425 3.162   3.767   1.000 14.512 0 184 GLU   A O    1 ? 
ATOM   1255 C  CB   . GLU   A 1 72  ? -24.345 5.094   2.466   1.000 14.593 0 184 GLU   A CB   1 ? 
ATOM   1256 C  CG   . GLU   A 1 72  ? -23.488 5.719   1.373   1.000 14.886 0 184 GLU   A CG   1 ? 
ATOM   1257 C  CD   . GLU   A 1 72  ? -23.268 7.217   1.495   1.000 15.680 0 184 GLU   A CD   1 ? 
ATOM   1258 O  OE1  . GLU   A 1 72  ? -23.968 7.878   2.293   1.000 16.797 0 184 GLU   A OE1  1 ? 
ATOM   1259 O  OE2  . GLU   A 1 72  ? -22.375 7.721   0.784   1.000 16.297 0 184 GLU   A OE2  1 ? 
ATOM   1260 H  H    . GLU   A 1 72  ? -25.872 4.033   0.711   1.000 14.459 0 184 GLU   A H    1 c 
ATOM   1261 H  HA   . GLU   A 1 72  ? -23.719 3.157   2.120   1.000 14.286 0 184 GLU   A HA   1 c 
ATOM   1262 H  HB2  . GLU   A 1 72  ? -25.209 5.555   2.496   1.000 14.570 0 184 GLU   A HB2  1 c 
ATOM   1263 H  HB3  . GLU   A 1 72  ? -23.903 5.229   3.331   1.000 14.562 0 184 GLU   A HB3  1 c 
ATOM   1264 H  HG2  . GLU   A 1 72  ? -22.611 5.279   1.371   1.000 14.953 0 184 GLU   A HG2  1 c 
ATOM   1265 H  HG3  . GLU   A 1 72  ? -23.905 5.540   0.505   1.000 14.959 0 184 GLU   A HG3  1 c 
ATOM   1266 N  N    . GLU   A 1 73  ? -24.381 2.396   4.373   1.000 14.081 0 185 GLU   A N    1 ? 
ATOM   1267 C  CA   . GLU   A 1 73  ? -24.705 2.065   5.754   1.000 14.548 0 185 GLU   A CA   1 ? 
ATOM   1268 C  C    . GLU   A 1 73  ? -23.931 3.026   6.652   1.000 14.534 0 185 GLU   A C    1 ? 
ATOM   1269 O  O    . GLU   A 1 73  ? -22.708 3.102   6.550   1.000 15.072 0 185 GLU   A O    1 ? 
ATOM   1270 C  CB   . GLU   A 1 73  ? -24.372 0.605   6.065   1.000 15.110 0 185 GLU   A CB   1 ? 
ATOM   1271 C  CG   . GLU   A 1 73  ? -25.144 -0.397  5.213   1.000 15.939 0 185 GLU   A CG   1 ? 
ATOM   1272 C  CD   . GLU   A 1 73  ? -24.759 -1.852  5.426   1.000 16.670 0 185 GLU   A CD   1 ? 
ATOM   1273 O  OE1  . GLU   A 1 73  ? -24.495 -2.244  6.581   1.000 17.871 0 185 GLU   A OE1  1 ? 
ATOM   1274 O  OE2  . GLU   A 1 73  ? -24.765 -2.609  4.438   1.000 17.133 0 185 GLU   A OE2  1 ? 
ATOM   1275 H  H    . GLU   A 1 73  ? -23.559 2.153   4.055   1.000 14.121 0 185 GLU   A H    1 c 
ATOM   1276 H  HA   . GLU   A 1 73  ? -25.676 2.204   5.893   1.000 14.530 0 185 GLU   A HA   1 c 
ATOM   1277 H  HB2  . GLU   A 1 73  ? -23.411 0.465   5.929   1.000 15.135 0 185 GLU   A HB2  1 c 
ATOM   1278 H  HB3  . GLU   A 1 73  ? -24.568 0.432   7.010   1.000 15.134 0 185 GLU   A HB3  1 c 
ATOM   1279 H  HG2  . GLU   A 1 73  ? -26.102 -0.300  5.399   1.000 15.946 0 185 GLU   A HG2  1 c 
ATOM   1280 H  HG3  . GLU   A 1 73  ? -25.007 -0.179  4.266   1.000 15.894 0 185 GLU   A HG3  1 c 
ATOM   1281 N  N    . ARG   A 1 74  ? -24.642 3.775   7.499   1.000 14.894 0 186 ARG   A N    1 ? 
ATOM   1282 C  CA   . ARG   A 1 74  ? -24.062 4.856   8.288   1.000 15.667 0 186 ARG   A CA   1 ? 
ATOM   1283 C  C    . ARG   A 1 74  ? -24.152 4.545   9.782   1.000 16.920 0 186 ARG   A C    1 ? 
ATOM   1284 O  O    . ARG   A 1 74  ? -25.107 3.912   10.233  1.000 17.590 0 186 ARG   A O    1 ? 
ATOM   1285 C  CB   . ARG   A 1 74  ? -24.740 6.193   7.967   1.000 16.256 0 186 ARG   A CB   1 ? 
ATOM   1286 C  CG   . ARG   A 1 74  ? -24.271 6.796   6.652   1.000 16.521 0 186 ARG   A CG   1 ? 
ATOM   1287 C  CD   . ARG   A 1 74  ? -25.303 7.701   6.006   1.000 17.152 0 186 ARG   A CD   1 ? 
ATOM   1288 N  NE   . ARG   A 1 74  ? -24.698 8.483   4.924   1.000 17.734 0 186 ARG   A NE   1 ? 
ATOM   1289 C  CZ   . ARG   A 1 74  ? -23.983 9.597   5.079   1.000 17.867 0 186 ARG   A CZ   1 ? 
ATOM   1290 N  NH1  . ARG   A 1 74  ? -23.923 10.202  6.254   1.000 18.651 0 186 ARG   A NH1  1 ? 
ATOM   1291 N  NH2  . ARG   A 1 74  ? -23.359 10.130  4.041   1.000 17.604 0 186 ARG   A NH2  1 ? 
ATOM   1292 H  H    . ARG   A 1 74  ? -25.535 3.603   7.590   1.000 14.831 0 186 ARG   A H    1 c 
ATOM   1293 H  HA   . ARG   A 1 74  ? -23.109 4.936   8.041   1.000 15.698 0 186 ARG   A HA   1 c 
ATOM   1294 H  HB2  . ARG   A 1 74  ? -25.711 6.056   7.928   1.000 16.258 0 186 ARG   A HB2  1 c 
ATOM   1295 H  HB3  . ARG   A 1 74  ? -24.555 6.827   8.692   1.000 16.203 0 186 ARG   A HB3  1 c 
ATOM   1296 H  HG2  . ARG   A 1 74  ? -23.452 7.314   6.811   1.000 16.555 0 186 ARG   A HG2  1 c 
ATOM   1297 H  HG3  . ARG   A 1 74  ? -24.050 6.072   6.027   1.000 16.563 0 186 ARG   A HG3  1 c 
ATOM   1298 H  HD2  . ARG   A 1 74  ? -26.031 7.155   5.644   1.000 17.123 0 186 ARG   A HD2  1 c 
ATOM   1299 H  HD3  . ARG   A 1 74  ? -25.683 8.303   6.676   1.000 17.160 0 186 ARG   A HD3  1 c 
ATOM   1300 H  HE   . ARG   A 1 74  ? -24.812 8.194   4.109   1.000 17.661 0 186 ARG   A HE   1 c 
ATOM   1301 H  HH11 . ARG   A 1 74  ? -23.533 10.991  6.320   1.000 18.500 0 186 ARG   A HH11 1 c 
ATOM   1302 H  HH12 . ARG   A 1 74  ? -24.267 9.825   6.973   1.000 18.485 0 186 ARG   A HH12 1 c 
ATOM   1303 H  HH21 . ARG   A 1 74  ? -22.924 10.894  4.131   1.000 17.675 0 186 ARG   A HH21 1 c 
ATOM   1304 H  HH22 . ARG   A 1 74  ? -23.378 9.721   3.257   1.000 17.656 0 186 ARG   A HH22 1 c 
ATOM   1305 N  N    A GLN   A 1 75  ? -23.165 5.039   10.539  0.500 17.797 0 187 GLN   A N    1 ? 
ATOM   1306 N  N    B GLN   A 1 75  ? -23.127 5.007   10.514  0.500 17.829 0 187 GLN   A N    1 ? 
ATOM   1307 C  CA   A GLN   A 1 75  ? -23.068 4.822   11.977  0.500 19.042 0 187 GLN   A CA   1 ? 
ATOM   1308 C  CA   B GLN   A 1 75  ? -22.967 4.837   11.953  0.500 18.894 0 187 GLN   A CA   1 ? 
ATOM   1309 C  C    A GLN   A 1 75  ? -22.532 6.093   12.635  0.500 19.336 0 187 GLN   A C    1 ? 
ATOM   1310 C  C    B GLN   A 1 75  ? -22.600 6.192   12.553  0.500 19.293 0 187 GLN   A C    1 ? 
ATOM   1311 O  O    A GLN   A 1 75  ? -21.492 6.605   12.224  0.500 19.295 0 187 GLN   A O    1 ? 
ATOM   1312 O  O    B GLN   A 1 75  ? -21.740 6.879   12.003  0.500 19.337 0 187 GLN   A O    1 ? 
ATOM   1313 C  CB   A GLN   A 1 75  ? -22.140 3.636   12.252  0.500 20.202 0 187 GLN   A CB   1 ? 
ATOM   1314 C  CB   B GLN   A 1 75  ? -21.777 3.916   12.232  0.500 19.720 0 187 GLN   A CB   1 ? 
ATOM   1315 C  CG   A GLN   A 1 75  ? -21.803 3.439   13.725  0.500 21.307 0 187 GLN   A CG   1 ? 
ATOM   1316 C  CG   B GLN   A 1 75  ? -21.652 3.441   13.675  0.500 21.161 0 187 GLN   A CG   1 ? 
ATOM   1317 C  CD   A GLN   A 1 75  ? -23.033 3.203   14.570  0.500 21.621 0 187 GLN   A CD   1 ? 
ATOM   1318 C  CD   B GLN   A 1 75  ? -22.007 1.980   13.832  0.500 22.130 0 187 GLN   A CD   1 ? 
ATOM   1319 O  OE1  A GLN   A 1 75  ? -23.336 3.964   15.493  0.500 22.274 0 187 GLN   A OE1  1 ? 
ATOM   1320 O  OE1  B GLN   A 1 75  ? -22.049 1.227   12.854  0.500 22.518 0 187 GLN   A OE1  1 ? 
ATOM   1321 N  NE2  A GLN   A 1 75  ? -23.769 2.150   14.245  0.500 22.158 0 187 GLN   A NE2  1 ? 
ATOM   1322 N  NE2  B GLN   A 1 75  ? -22.243 1.562   15.067  0.500 22.544 0 187 GLN   A NE2  1 ? 
ATOM   1323 H  H    A GLN   A 1 75  ? -22.518 5.541   10.134  0.500 17.780 0 187 GLN   A H    1 c 
ATOM   1324 H  H    B GLN   A 1 75  ? -22.475 5.468   10.070  0.500 17.793 0 187 GLN   A H    1 c 
ATOM   1325 H  HA   A GLN   A 1 75  ? -23.971 4.626   12.333  0.500 19.034 0 187 GLN   A HA   1 c 
ATOM   1326 H  HA   B GLN   A 1 75  ? -23.808 4.496   12.349  0.500 18.885 0 187 GLN   A HA   1 c 
ATOM   1327 H  HB2  A GLN   A 1 75  ? -22.567 2.821   11.914  0.500 20.171 0 187 GLN   A HB2  1 c 
ATOM   1328 H  HB2  B GLN   A 1 75  ? -21.847 3.132   11.648  0.500 19.762 0 187 GLN   A HB2  1 c 
ATOM   1329 H  HB3  A GLN   A 1 75  ? -21.309 3.765   11.751  0.500 20.152 0 187 GLN   A HB3  1 c 
ATOM   1330 H  HB3  B GLN   A 1 75  ? -20.957 4.391   11.990  0.500 19.662 0 187 GLN   A HB3  1 c 
ATOM   1331 H  HG2  A GLN   A 1 75  ? -21.198 2.673   13.820  0.500 21.202 0 187 GLN   A HG2  1 c 
ATOM   1332 H  HG2  B GLN   A 1 75  ? -20.732 3.583   13.985  0.500 21.120 0 187 GLN   A HG2  1 c 
ATOM   1333 H  HG3  A GLN   A 1 75  ? -21.333 4.233   14.059  0.500 21.189 0 187 GLN   A HG3  1 c 
ATOM   1334 H  HG3  B GLN   A 1 75  ? -22.245 3.975   14.244  0.500 21.115 0 187 GLN   A HG3  1 c 
ATOM   1335 H  HE21 A GLN   A 1 75  ? -23.528 1.636   13.564  0.500 22.097 0 187 GLN   A HE21 1 c 
ATOM   1336 H  HE21 B GLN   A 1 75  ? -22.232 2.140   15.739  0.500 22.490 0 187 GLN   A HE21 1 c 
ATOM   1337 H  HE22 A GLN   A 1 75  ? -24.502 1.963   14.708  0.500 22.132 0 187 GLN   A HE22 1 c 
ATOM   1338 H  HE22 B GLN   A 1 75  ? -22.412 0.704   15.218  0.500 22.500 0 187 GLN   A HE22 1 c 
ATOM   1339 N  N    . SER   A 1 76  ? -23.236 6.574   13.668  1.000 19.570 0 188 SER   A N    1 ? 
ATOM   1340 C  CA   . SER   A 1 76  ? -22.872 7.803   14.371  1.000 19.987 0 188 SER   A CA   1 ? 
ATOM   1341 C  C    . SER   A 1 76  ? -21.869 7.535   15.493  1.000 19.407 0 188 SER   A C    1 ? 
ATOM   1342 O  O    . SER   A 1 76  ? -21.175 8.460   15.918  1.000 19.373 0 188 SER   A O    1 ? 
ATOM   1343 C  CB   . SER   A 1 76  ? -24.089 8.519   14.891  1.000 20.700 0 188 SER   A CB   1 ? 
ATOM   1344 O  OG   . SER   A 1 76  ? -24.853 9.028   13.809  1.000 22.942 0 188 SER   A OG   1 ? 
ATOM   1345 H  H    . SER   A 1 76  ? -23.944 6.087   13.978  1.000 19.565 0 188 SER   A H    1 c 
ATOM   1346 H  HA   . SER   A 1 76  ? -22.433 8.407   13.720  1.000 19.930 0 188 SER   A HA   1 c 
ATOM   1347 H  HB2  . SER   A 1 76  ? -24.632 7.900   15.415  1.000 20.955 0 188 SER   A HB2  1 c 
ATOM   1348 H  HB3  . SER   A 1 76  ? -23.812 9.255   15.470  1.000 20.927 0 188 SER   A HB3  1 c 
ATOM   1349 H  HG   . SER   A 1 76  ? -25.550 9.433   14.137  0.000 26.908 0 188 SER   A HG   1 c 
ATOM   1350 N  N    . VAL   A 1 77  ? -21.800 6.292   15.987  1.000 18.382 0 189 VAL   A N    1 ? 
ATOM   1351 C  CA   . VAL   A 1 77  ? -20.768 5.923   16.948  1.000 18.557 0 189 VAL   A CA   1 ? 
ATOM   1352 C  C    . VAL   A 1 77  ? -19.425 6.092   16.241  1.000 17.682 0 189 VAL   A C    1 ? 
ATOM   1353 O  O    . VAL   A 1 77  ? -19.185 5.474   15.203  1.000 17.823 0 189 VAL   A O    1 ? 
ATOM   1354 C  CB   . VAL   A 1 77  ? -20.932 4.507   17.535  1.000 20.028 0 189 VAL   A CB   1 ? 
ATOM   1355 C  CG1  . VAL   A 1 77  ? -19.738 4.094   18.391  1.000 20.648 0 189 VAL   A CG1  1 ? 
ATOM   1356 C  CG2  . VAL   A 1 77  ? -22.217 4.384   18.344  1.000 20.627 0 189 VAL   A CG2  1 ? 
ATOM   1357 H  H    . VAL   A 1 77  ? -22.414 5.666   15.733  1.000 18.602 0 189 VAL   A H    1 c 
ATOM   1358 H  HA   . VAL   A 1 77  ? -20.808 6.558   17.690  1.000 18.557 0 189 VAL   A HA   1 c 
ATOM   1359 H  HB   . VAL   A 1 77  ? -20.990 3.882   16.775  1.000 19.982 0 189 VAL   A HB   1 c 
ATOM   1360 H  HG11 . VAL   A 1 77  ? -19.621 4.733   19.114  1.000 20.566 0 189 VAL   A HG11 1 c 
ATOM   1361 H  HG12 . VAL   A 1 77  ? -18.934 4.073   17.845  1.000 20.593 0 189 VAL   A HG12 1 c 
ATOM   1362 H  HG13 . VAL   A 1 77  ? -19.897 3.211   18.763  1.000 20.562 0 189 VAL   A HG13 1 c 
ATOM   1363 H  HG21 . VAL   A 1 77  ? -22.310 3.473   18.669  1.000 20.535 0 189 VAL   A HG21 1 c 
ATOM   1364 H  HG22 . VAL   A 1 77  ? -22.978 4.607   17.784  1.000 20.557 0 189 VAL   A HG22 1 c 
ATOM   1365 H  HG23 . VAL   A 1 77  ? -22.183 4.995   19.100  1.000 20.553 0 189 VAL   A HG23 1 c 
ATOM   1366 N  N    . PHE   A 1 78  ? -18.580 6.961   16.803  1.000 16.581 0 190 PHE   A N    1 ? 
ATOM   1367 C  CA   . PHE   A 1 78  ? -17.379 7.427   16.126  1.000 15.664 0 190 PHE   A CA   1 ? 
ATOM   1368 C  C    . PHE   A 1 78  ? -16.201 7.344   17.093  1.000 16.161 0 190 PHE   A C    1 ? 
ATOM   1369 O  O    . PHE   A 1 78  ? -16.000 8.242   17.909  1.000 17.461 0 190 PHE   A O    1 ? 
ATOM   1370 C  CB   . PHE   A 1 78  ? -17.593 8.852   15.609  1.000 15.507 0 190 PHE   A CB   1 ? 
ATOM   1371 C  CG   . PHE   A 1 78  ? -16.552 9.303   14.597  1.000 15.081 0 190 PHE   A CG   1 ? 
ATOM   1372 C  CD1  . PHE   A 1 78  ? -15.357 9.884   15.008  1.000 14.867 0 190 PHE   A CD1  1 ? 
ATOM   1373 C  CD2  . PHE   A 1 78  ? -16.777 9.144   13.234  1.000 14.954 0 190 PHE   A CD2  1 ? 
ATOM   1374 C  CE1  . PHE   A 1 78  ? -14.417 10.297  14.077  1.000 14.901 0 190 PHE   A CE1  1 ? 
ATOM   1375 C  CE2  . PHE   A 1 78  ? -15.829 9.552   12.308  1.000 14.803 0 190 PHE   A CE2  1 ? 
ATOM   1376 C  CZ   . PHE   A 1 78  ? -14.652 10.130  12.731  1.000 14.849 0 190 PHE   A CZ   1 ? 
ATOM   1377 H  H    . PHE   A 1 78  ? -18.757 7.274   17.643  1.000 16.578 0 190 PHE   A H    1 c 
ATOM   1378 H  HA   . PHE   A 1 78  ? -17.200 6.837   15.349  1.000 15.830 0 190 PHE   A HA   1 c 
ATOM   1379 H  HB2  . PHE   A 1 78  ? -18.483 8.901   15.193  1.000 15.490 0 190 PHE   A HB2  1 c 
ATOM   1380 H  HB3  . PHE   A 1 78  ? -17.585 9.469   16.373  1.000 15.471 0 190 PHE   A HB3  1 c 
ATOM   1381 H  HD1  . PHE   A 1 78  ? -15.189 10.002  15.929  1.000 14.891 0 190 PHE   A HD1  1 c 
ATOM   1382 H  HD2  . PHE   A 1 78  ? -17.582 8.750   12.938  1.000 14.966 0 190 PHE   A HD2  1 c 
ATOM   1383 H  HE1  . PHE   A 1 78  ? -13.610 10.688  14.369  1.000 14.915 0 190 PHE   A HE1  1 c 
ATOM   1384 H  HE2  . PHE   A 1 78  ? -15.994 9.440   11.385  1.000 14.838 0 190 PHE   A HE2  1 c 
ATOM   1385 H  HZ   . PHE   A 1 78  ? -14.009 10.409  12.100  1.000 14.882 0 190 PHE   A HZ   1 c 
ATOM   1386 N  N    . PRO   A 1 79  ? -15.413 6.244   17.058  1.000 16.142 0 191 PRO   A N    1 ? 
ATOM   1387 C  CA   . PRO   A 1 79  ? -14.348 6.031   18.042  1.000 16.744 0 191 PRO   A CA   1 ? 
ATOM   1388 C  C    . PRO   A 1 79  ? -13.008 6.729   17.810  1.000 16.784 0 191 PRO   A C    1 ? 
ATOM   1389 O  O    . PRO   A 1 79  ? -12.116 6.602   18.644  1.000 18.436 0 191 PRO   A O    1 ? 
ATOM   1390 C  CB   . PRO   A 1 79  ? -14.193 4.500   17.987  1.000 16.712 0 191 PRO   A CB   1 ? 
ATOM   1391 C  CG   . PRO   A 1 79  ? -14.471 4.155   16.546  1.000 16.297 0 191 PRO   A CG   1 ? 
ATOM   1392 C  CD   . PRO   A 1 79  ? -15.576 5.113   16.132  1.000 16.110 0 191 PRO   A CD   1 ? 
ATOM   1393 H  HA   . PRO   A 1 79  ? -14.695 6.289   18.933  1.000 16.676 0 191 PRO   A HA   1 c 
ATOM   1394 H  HB2  . PRO   A 1 79  ? -13.280 4.228   18.244  1.000 16.702 0 191 PRO   A HB2  1 c 
ATOM   1395 H  HB3  . PRO   A 1 79  ? -14.840 4.059   18.585  1.000 16.675 0 191 PRO   A HB3  1 c 
ATOM   1396 H  HG2  . PRO   A 1 79  ? -13.672 4.288   15.994  1.000 16.315 0 191 PRO   A HG2  1 c 
ATOM   1397 H  HG3  . PRO   A 1 79  ? -14.766 3.225   16.460  1.000 16.325 0 191 PRO   A HG3  1 c 
ATOM   1398 H  HD2  . PRO   A 1 79  ? -15.461 5.399   15.199  1.000 16.151 0 191 PRO   A HD2  1 c 
ATOM   1399 H  HD3  . PRO   A 1 79  ? -16.460 4.695   16.235  1.000 16.108 0 191 PRO   A HD3  1 c 
ATOM   1400 N  N    . PHE   A 1 80  ? -12.869 7.455   16.693  1.000 15.808 0 192 PHE   A N    1 ? 
ATOM   1401 C  CA   . PHE   A 1 80  ? -11.618 8.109   16.330  1.000 15.494 0 192 PHE   A CA   1 ? 
ATOM   1402 C  C    . PHE   A 1 80  ? -11.587 9.521   16.904  1.000 16.127 0 192 PHE   A C    1 ? 
ATOM   1403 O  O    . PHE   A 1 80  ? -12.624 10.161  17.055  1.000 16.770 0 192 PHE   A O    1 ? 
ATOM   1404 C  CB   . PHE   A 1 80  ? -11.439 8.171   14.812  1.000 14.937 0 192 PHE   A CB   1 ? 
ATOM   1405 C  CG   . PHE   A 1 80  ? -11.496 6.808   14.146  1.000 14.245 0 192 PHE   A CG   1 ? 
ATOM   1406 C  CD1  . PHE   A 1 80  ? -10.374 5.988   14.096  1.000 14.055 0 192 PHE   A CD1  1 ? 
ATOM   1407 C  CD2  . PHE   A 1 80  ? -12.677 6.346   13.580  1.000 13.961 0 192 PHE   A CD2  1 ? 
ATOM   1408 C  CE1  . PHE   A 1 80  ? -10.436 4.742   13.487  1.000 13.888 0 192 PHE   A CE1  1 ? 
ATOM   1409 C  CE2  . PHE   A 1 80  ? -12.736 5.098   12.982  1.000 13.984 0 192 PHE   A CE2  1 ? 
ATOM   1410 C  CZ   . PHE   A 1 80  ? -11.618 4.301   12.934  1.000 13.870 0 192 PHE   A CZ   1 ? 
ATOM   1411 H  H    . PHE   A 1 80  ? -13.584 7.544   16.132  1.000 15.833 0 192 PHE   A H    1 c 
ATOM   1412 H  HA   . PHE   A 1 80  ? -10.864 7.590   16.716  1.000 15.560 0 192 PHE   A HA   1 c 
ATOM   1413 H  HB2  . PHE   A 1 80  ? -12.144 8.741   14.435  1.000 14.887 0 192 PHE   A HB2  1 c 
ATOM   1414 H  HB3  . PHE   A 1 80  ? -10.571 8.588   14.615  1.000 14.898 0 192 PHE   A HB3  1 c 
ATOM   1415 H  HD1  . PHE   A 1 80  ? -9.562  6.285   14.475  1.000 14.064 0 192 PHE   A HD1  1 c 
ATOM   1416 H  HD2  . PHE   A 1 80  ? -13.449 6.888   13.610  1.000 13.949 0 192 PHE   A HD2  1 c 
ATOM   1417 H  HE1  . PHE   A 1 80  ? -9.668  4.194   13.458  1.000 13.910 0 192 PHE   A HE1  1 c 
ATOM   1418 H  HE2  . PHE   A 1 80  ? -13.545 4.799   12.600  1.000 13.974 0 192 PHE   A HE2  1 c 
ATOM   1419 H  HZ   . PHE   A 1 80  ? -11.659 3.453   12.521  1.000 13.883 0 192 PHE   A HZ   1 c 
ATOM   1420 N  N    . GLU   A 1 81  ? -10.375 9.982   17.222  1.000 16.638 0 193 GLU   A N    1 ? 
ATOM   1421 C  CA   . GLU   A 1 81  ? -10.132 11.340  17.682  1.000 17.434 0 193 GLU   A CA   1 ? 
ATOM   1422 C  C    . GLU   A 1 81  ? -8.891  11.864  16.964  1.000 17.260 0 193 GLU   A C    1 ? 
ATOM   1423 O  O    . GLU   A 1 81  ? -7.890  11.150  16.864  1.000 17.144 0 193 GLU   A O    1 ? 
ATOM   1424 C  CB   . GLU   A 1 81  ? -9.915  11.358  19.196  1.000 18.213 0 193 GLU   A CB   1 ? 
ATOM   1425 C  CG   . GLU   A 1 81  ? -11.121 10.886  20.004  1.000 19.104 0 193 GLU   A CG   1 ? 
ATOM   1426 C  CD   . GLU   A 1 81  ? -12.320 11.816  19.967  1.000 20.067 0 193 GLU   A CD   1 ? 
ATOM   1427 O  OE1  . GLU   A 1 81  ? -12.137 13.016  19.674  1.000 21.104 0 193 GLU   A OE1  1 ? 
ATOM   1428 O  OE2  . GLU   A 1 81  ? -13.445 11.330  20.210  1.000 21.620 0 193 GLU   A OE2  1 ? 
ATOM   1429 H  H    . GLU   A 1 81  ? -9.662  9.416   17.150  1.000 16.620 0 193 GLU   A H    1 c 
ATOM   1430 H  HA   . GLU   A 1 81  ? -10.913 11.903  17.447  1.000 17.373 0 193 GLU   A HA   1 c 
ATOM   1431 H  HB2  . GLU   A 1 81  ? -9.153  10.781  19.410  1.000 18.192 0 193 GLU   A HB2  1 c 
ATOM   1432 H  HB3  . GLU   A 1 81  ? -9.683  12.270  19.471  1.000 18.215 0 193 GLU   A HB3  1 c 
ATOM   1433 H  HG2  . GLU   A 1 81  ? -11.402 10.007  19.673  1.000 19.053 0 193 GLU   A HG2  1 c 
ATOM   1434 H  HG3  . GLU   A 1 81  ? -10.850 10.772  20.940  1.000 19.077 0 193 GLU   A HG3  1 c 
ATOM   1435 N  N    A SER   A 1 82  ? -8.977  13.102  16.464  0.500 17.943 0 194 SER   A N    1 ? 
ATOM   1436 N  N    B SER   A 1 82  ? -8.968  13.101  16.461  0.500 17.997 0 194 SER   A N    1 ? 
ATOM   1437 C  CA   A SER   A 1 82  ? -7.845  13.780  15.848  0.500 18.246 0 194 SER   A CA   1 ? 
ATOM   1438 C  CA   B SER   A 1 82  ? -7.845  13.736  15.784  0.500 18.389 0 194 SER   A CA   1 ? 
ATOM   1439 C  C    A SER   A 1 82  ? -6.635  13.725  16.778  0.500 17.652 0 194 SER   A C    1 ? 
ATOM   1440 C  C    B SER   A 1 82  ? -6.638  13.794  16.723  0.500 17.875 0 194 SER   A C    1 ? 
ATOM   1441 O  O    A SER   A 1 82  ? -6.762  13.988  17.974  0.500 18.063 0 194 SER   A O    1 ? 
ATOM   1442 O  O    B SER   A 1 82  ? -6.769  14.215  17.871  0.500 18.681 0 194 SER   A O    1 ? 
ATOM   1443 C  CB   A SER   A 1 82  ? -8.192  15.203  15.491  0.500 19.101 0 194 SER   A CB   1 ? 
ATOM   1444 C  CB   B SER   A 1 82  ? -8.224  15.107  15.276  0.500 19.280 0 194 SER   A CB   1 ? 
ATOM   1445 O  OG   A SER   A 1 82  ? -8.809  15.264  14.213  0.500 19.688 0 194 SER   A OG   1 ? 
ATOM   1446 O  OG   B SER   A 1 82  ? -8.612  15.962  16.343  0.500 20.103 0 194 SER   A OG   1 ? 
ATOM   1447 H  H    A SER   A 1 82  ? -9.778  13.540  16.505  0.500 17.908 0 194 SER   A H    1 c 
ATOM   1448 H  H    B SER   A 1 82  ? -9.751  13.565  16.540  0.500 17.966 0 194 SER   A H    1 c 
ATOM   1449 H  HA   A SER   A 1 82  ? -7.617  13.300  15.014  0.500 18.198 0 194 SER   A HA   1 c 
ATOM   1450 H  HA   B SER   A 1 82  ? -7.604  13.176  15.006  0.500 18.335 0 194 SER   A HA   1 c 
ATOM   1451 H  HB2  A SER   A 1 82  ? -8.802  15.564  16.163  0.500 19.063 0 194 SER   A HB2  1 c 
ATOM   1452 H  HB2  B SER   A 1 82  ? -7.464  15.499  14.806  0.500 19.287 0 194 SER   A HB2  1 c 
ATOM   1453 H  HB3  A SER   A 1 82  ? -7.381  15.745  15.490  0.500 19.081 0 194 SER   A HB3  1 c 
ATOM   1454 H  HB3  B SER   A 1 82  ? -8.963  15.023  14.643  0.500 19.276 0 194 SER   A HB3  1 c 
ATOM   1455 H  HG   A SER   A 1 82  ? -8.948  16.125  14.034  0.000 22.945 0 194 SER   A HG   1 c 
ATOM   1456 H  HG   B SER   A 1 82  ? -8.834  16.729  16.012  0.000 23.524 0 194 SER   A HG   1 c 
ATOM   1457 N  N    . GLY   A 1 83  ? -5.477  13.343  16.228  1.000 16.699 0 195 GLY   A N    1 ? 
ATOM   1458 C  CA   . GLY   A 1 83  ? -4.230  13.351  16.982  1.000 16.096 0 195 GLY   A CA   1 ? 
ATOM   1459 C  C    . GLY   A 1 83  ? -3.968  12.074  17.780  1.000 15.121 0 195 GLY   A C    1 ? 
ATOM   1460 O  O    . GLY   A 1 83  ? -2.886  11.948  18.356  1.000 16.134 0 195 GLY   A O    1 ? 
ATOM   1461 H  H    . GLY   A 1 83  ? -5.462  13.040  15.366  1.000 16.853 0 195 GLY   A H    1 c 
ATOM   1462 H  HA2  . GLY   A 1 83  ? -3.484  13.489  16.351  1.000 16.021 0 195 GLY   A HA2  1 c 
ATOM   1463 H  HA3  . GLY   A 1 83  ? -4.236  14.120  17.600  1.000 16.021 0 195 GLY   A HA3  1 c 
ATOM   1464 N  N    . LYS   A 1 84  ? -4.919  11.128  17.822  1.000 14.392 0 196 LYS   A N    1 ? 
ATOM   1465 C  CA   . LYS   A 1 84  ? -4.789  9.972   18.701  1.000 13.842 0 196 LYS   A CA   1 ? 
ATOM   1466 C  C    . LYS   A 1 84  ? -4.419  8.712   17.925  1.000 13.797 0 196 LYS   A C    1 ? 
ATOM   1467 O  O    . LYS   A 1 84  ? -4.849  8.516   16.786  1.000 14.205 0 196 LYS   A O    1 ? 
ATOM   1468 C  CB   . LYS   A 1 84  ? -6.071  9.673   19.483  1.000 13.836 0 196 LYS   A CB   1 ? 
ATOM   1469 C  CG   . LYS   A 1 84  ? -6.417  10.710  20.526  1.000 13.897 0 196 LYS   A CG   1 ? 
ATOM   1470 C  CD   . LYS   A 1 84  ? -7.373  10.186  21.585  1.000 14.035 0 196 LYS   A CD   1 ? 
ATOM   1471 C  CE   . LYS   A 1 84  ? -8.035  11.286  22.347  1.000 14.148 0 196 LYS   A CE   1 ? 
ATOM   1472 N  NZ   . LYS   A 1 84  ? -8.762  10.766  23.508  1.000 14.139 0 196 LYS   A NZ   1 ? 
ATOM   1473 H  H    . LYS   A 1 84  ? -5.657  11.197  17.289  1.000 14.423 0 196 LYS   A H    1 c 
ATOM   1474 H  HA   . LYS   A 1 84  ? -4.071  10.162  19.354  1.000 13.896 0 196 LYS   A HA   1 c 
ATOM   1475 H  HB2  . LYS   A 1 84  ? -6.818  9.605   18.850  1.000 13.844 0 196 LYS   A HB2  1 c 
ATOM   1476 H  HB3  . LYS   A 1 84  ? -5.976  8.803   19.927  1.000 13.839 0 196 LYS   A HB3  1 c 
ATOM   1477 H  HG2  . LYS   A 1 84  ? -5.588  11.010  20.959  1.000 13.889 0 196 LYS   A HG2  1 c 
ATOM   1478 H  HG3  . LYS   A 1 84  ? -6.824  11.483  20.078  1.000 13.900 0 196 LYS   A HG3  1 c 
ATOM   1479 H  HD2  . LYS   A 1 84  ? -8.061  9.635   21.153  1.000 14.043 0 196 LYS   A HD2  1 c 
ATOM   1480 H  HD3  . LYS   A 1 84  ? -6.875  9.617   22.211  1.000 14.029 0 196 LYS   A HD3  1 c 
ATOM   1481 H  HE2  . LYS   A 1 84  ? -7.369  11.929  22.647  1.000 14.134 0 196 LYS   A HE2  1 c 
ATOM   1482 H  HE3  . LYS   A 1 84  ? -8.662  11.751  21.764  1.000 14.148 0 196 LYS   A HE3  1 c 
ATOM   1483 H  HZ1  . LYS   A 1 84  ? -8.188  10.339  24.063  1.000 14.132 0 196 LYS   A HZ1  1 c 
ATOM   1484 H  HZ2  . LYS   A 1 84  ? -9.401  10.185  23.234  1.000 14.151 0 196 LYS   A HZ2  1 c 
ATOM   1485 H  HZ3  . LYS   A 1 84  ? -9.154  11.450  23.954  1.000 14.135 0 196 LYS   A HZ3  1 c 
ATOM   1486 N  N    . PRO   A 1 85  ? -3.640  7.803   18.557  1.000 13.524 0 197 PRO   A N    1 ? 
ATOM   1487 C  CA   . PRO   A 1 85  ? -3.332  6.497   17.984  1.000 13.598 0 197 PRO   A CA   1 ? 
ATOM   1488 C  C    . PRO   A 1 85  ? -4.568  5.606   17.999  1.000 13.055 0 197 PRO   A C    1 ? 
ATOM   1489 O  O    . PRO   A 1 85  ? -5.340  5.613   18.959  1.000 13.161 0 197 PRO   A O    1 ? 
ATOM   1490 C  CB   . PRO   A 1 85  ? -2.217  5.953   18.887  1.000 14.187 0 197 PRO   A CB   1 ? 
ATOM   1491 C  CG   . PRO   A 1 85  ? -2.492  6.600   20.219  1.000 14.550 0 197 PRO   A CG   1 ? 
ATOM   1492 C  CD   . PRO   A 1 85  ? -3.028  7.981   19.882  1.000 13.947 0 197 PRO   A CD   1 ? 
ATOM   1493 H  HA   . PRO   A 1 85  ? -2.997  6.611   17.064  1.000 13.602 0 197 PRO   A HA   1 c 
ATOM   1494 H  HB2  . PRO   A 1 85  ? -2.265  4.970   18.956  1.000 14.146 0 197 PRO   A HB2  1 c 
ATOM   1495 H  HB3  . PRO   A 1 85  ? -1.328  6.210   18.546  1.000 14.189 0 197 PRO   A HB3  1 c 
ATOM   1496 H  HG2  . PRO   A 1 85  ? -3.153  6.086   20.727  1.000 14.437 0 197 PRO   A HG2  1 c 
ATOM   1497 H  HG3  . PRO   A 1 85  ? -1.671  6.671   20.748  1.000 14.482 0 197 PRO   A HG3  1 c 
ATOM   1498 H  HD2  . PRO   A 1 85  ? -3.695  8.267   20.545  1.000 13.978 0 197 PRO   A HD2  1 c 
ATOM   1499 H  HD3  . PRO   A 1 85  ? -2.302  8.642   19.851  1.000 13.968 0 197 PRO   A HD3  1 c 
ATOM   1500 N  N    . PHE   A 1 86  ? -4.731  4.846   16.919  1.000 12.769 0 198 PHE   A N    1 ? 
ATOM   1501 C  CA   . PHE   A 1 86  ? -5.876  3.969   16.763  1.000 12.923 0 198 PHE   A CA   1 ? 
ATOM   1502 C  C    . PHE   A 1 86  ? -5.409  2.597   16.294  1.000 12.399 0 198 PHE   A C    1 ? 
ATOM   1503 O  O    . PHE   A 1 86  ? -4.317  2.447   15.737  1.000 12.235 0 198 PHE   A O    1 ? 
ATOM   1504 C  CB   . PHE   A 1 86  ? -6.876  4.536   15.754  1.000 13.546 0 198 PHE   A CB   1 ? 
ATOM   1505 C  CG   . PHE   A 1 86  ? -6.327  4.606   14.338  1.000 14.007 0 198 PHE   A CG   1 ? 
ATOM   1506 C  CD1  . PHE   A 1 86  ? -6.376  3.498   13.502  1.000 13.962 0 198 PHE   A CD1  1 ? 
ATOM   1507 C  CD2  . PHE   A 1 86  ? -5.726  5.766   13.862  1.000 15.157 0 198 PHE   A CD2  1 ? 
ATOM   1508 C  CE1  . PHE   A 1 86  ? -5.858  3.556   12.219  1.000 14.522 0 198 PHE   A CE1  1 ? 
ATOM   1509 C  CE2  . PHE   A 1 86  ? -5.213  5.819   12.577  1.000 15.616 0 198 PHE   A CE2  1 ? 
ATOM   1510 C  CZ   . PHE   A 1 86  ? -5.283  4.716   11.758  1.000 15.285 0 198 PHE   A CZ   1 ? 
ATOM   1511 H  H    . PHE   A 1 86  ? -4.105  4.874   16.254  1.000 12.818 0 198 PHE   A H    1 c 
ATOM   1512 H  HA   . PHE   A 1 86  ? -6.328  3.871   17.641  1.000 12.907 0 198 PHE   A HA   1 c 
ATOM   1513 H  HB2  . PHE   A 1 86  ? -7.681  3.972   15.757  1.000 13.549 0 198 PHE   A HB2  1 c 
ATOM   1514 H  HB3  . PHE   A 1 86  ? -7.135  5.439   16.042  1.000 13.516 0 198 PHE   A HB3  1 c 
ATOM   1515 H  HD1  . PHE   A 1 86  ? -6.770  2.698   13.812  1.000 14.015 0 198 PHE   A HD1  1 c 
ATOM   1516 H  HD2  . PHE   A 1 86  ? -5.675  6.525   14.419  1.000 14.996 0 198 PHE   A HD2  1 c 
ATOM   1517 H  HE1  . PHE   A 1 86  ? -5.907  2.799   11.658  1.000 14.546 0 198 PHE   A HE1  1 c 
ATOM   1518 H  HE2  . PHE   A 1 86  ? -4.816  6.616   12.262  1.000 15.479 0 198 PHE   A HE2  1 c 
ATOM   1519 H  HZ   . PHE   A 1 86  ? -4.931  4.754   10.883  1.000 15.185 0 198 PHE   A HZ   1 c 
ATOM   1520 N  N    . LYS   A 1 87  ? -6.282  1.616   16.520  1.000 12.349 0 199 LYS   A N    1 ? 
ATOM   1521 C  CA   . LYS   A 1 87  ? -6.177  0.289   15.940  1.000 12.605 0 199 LYS   A CA   1 ? 
ATOM   1522 C  C    . LYS   A 1 87  ? -7.532  -0.052  15.330  1.000 12.573 0 199 LYS   A C    1 ? 
ATOM   1523 O  O    . LYS   A 1 87  ? -8.544  -0.082  16.039  1.000 13.077 0 199 LYS   A O    1 ? 
ATOM   1524 C  CB   . LYS   A 1 87  ? -5.821  -0.737  17.019  1.000 13.198 0 199 LYS   A CB   1 ? 
ATOM   1525 C  CG   . LYS   A 1 87  ? -5.740  -2.180  16.547  1.000 14.307 0 199 LYS   A CG   1 ? 
ATOM   1526 C  CD   . LYS   A 1 87  ? -5.254  -3.146  17.617  1.000 15.468 0 199 LYS   A CD   1 ? 
ATOM   1527 C  CE   . LYS   A 1 87  ? -6.237  -3.360  18.725  1.000 16.388 0 199 LYS   A CE   1 ? 
ATOM   1528 N  NZ   . LYS   A 1 87  ? -5.671  -4.236  19.756  1.000 17.799 0 199 LYS   A NZ   1 ? 
ATOM   1529 H  H    . LYS   A 1 87  ? -6.988  1.788   17.074  1.000 12.367 0 199 LYS   A H    1 c 
ATOM   1530 H  HA   . LYS   A 1 87  ? -5.484  0.297   15.235  1.000 12.594 0 199 LYS   A HA   1 c 
ATOM   1531 H  HB2  . LYS   A 1 87  ? -4.954  -0.492  17.406  1.000 13.189 0 199 LYS   A HB2  1 c 
ATOM   1532 H  HB3  . LYS   A 1 87  ? -6.490  -0.682  17.734  1.000 13.214 0 199 LYS   A HB3  1 c 
ATOM   1533 H  HG2  . LYS   A 1 87  ? -6.630  -2.461  16.246  1.000 14.294 0 199 LYS   A HG2  1 c 
ATOM   1534 H  HG3  . LYS   A 1 87  ? -5.132  -2.223  15.777  1.000 14.269 0 199 LYS   A HG3  1 c 
ATOM   1535 H  HD2  . LYS   A 1 87  ? -5.057  -4.011  17.196  1.000 15.379 0 199 LYS   A HD2  1 c 
ATOM   1536 H  HD3  . LYS   A 1 87  ? -4.417  -2.801  17.998  1.000 15.391 0 199 LYS   A HD3  1 c 
ATOM   1537 H  HE2  . LYS   A 1 87  ? -6.476  -2.507  19.128  1.000 16.377 0 199 LYS   A HE2  1 c 
ATOM   1538 H  HE3  . LYS   A 1 87  ? -7.048  -3.766  18.370  1.000 16.427 0 199 LYS   A HE3  1 c 
ATOM   1539 H  HZ1  . LYS   A 1 87  ? -4.936  -3.849  20.117  1.000 17.606 0 199 LYS   A HZ1  1 c 
ATOM   1540 H  HZ2  . LYS   A 1 87  ? -5.440  -5.031  19.388  1.000 17.543 0 199 LYS   A HZ2  1 c 
ATOM   1541 H  HZ3  . LYS   A 1 87  ? -6.280  -4.379  20.408  1.000 17.593 0 199 LYS   A HZ3  1 c 
ATOM   1542 N  N    . ILE   A 1 88  ? -7.558  -0.247  14.009  1.000 12.507 0 200 ILE   A N    1 ? 
ATOM   1543 C  CA   . ILE   A 1 88  ? -8.741  -0.768  13.332  1.000 12.370 0 200 ILE   A CA   1 ? 
ATOM   1544 C  C    . ILE   A 1 88  ? -8.504  -2.253  13.093  1.000 12.497 0 200 ILE   A C    1 ? 
ATOM   1545 O  O    . ILE   A 1 88  ? -7.483  -2.624  12.515  1.000 13.139 0 200 ILE   A O    1 ? 
ATOM   1546 C  CB   . ILE   A 1 88  ? -9.028  -0.047  12.002  1.000 12.434 0 200 ILE   A CB   1 ? 
ATOM   1547 C  CG1  . ILE   A 1 88  ? -9.213  1.460   12.181  1.000 12.483 0 200 ILE   A CG1  1 ? 
ATOM   1548 C  CG2  . ILE   A 1 88  ? -10.236 -0.677  11.309  1.000 12.501 0 200 ILE   A CG2  1 ? 
ATOM   1549 C  CD1  . ILE   A 1 88  ? -9.180  2.240   10.879  1.000 12.706 0 200 ILE   A CD1  1 ? 
ATOM   1550 H  H    . ILE   A 1 88  ? -6.817  -0.050  13.511  1.000 12.453 0 200 ILE   A H    1 c 
ATOM   1551 H  HA   . ILE   A 1 88  ? -9.515  -0.659  13.918  1.000 12.367 0 200 ILE   A HA   1 c 
ATOM   1552 H  HB   . ILE   A 1 88  ? -8.251  -0.180  11.423  1.000 12.406 0 200 ILE   A HB   1 c 
ATOM   1553 H  HG12 . ILE   A 1 88  ? -10.072 1.621   12.622  1.000 12.465 0 200 ILE   A HG12 1 c 
ATOM   1554 H  HG13 . ILE   A 1 88  ? -8.508  1.798   12.768  1.000 12.470 0 200 ILE   A HG13 1 c 
ATOM   1555 H  HG21 . ILE   A 1 88  ? -10.415 -0.212  10.475  1.000 12.476 0 200 ILE   A HG21 1 c 
ATOM   1556 H  HG22 . ILE   A 1 88  ? -11.014 -0.611  11.888  1.000 12.476 0 200 ILE   A HG22 1 c 
ATOM   1557 H  HG23 . ILE   A 1 88  ? -10.055 -1.613  11.120  1.000 12.475 0 200 ILE   A HG23 1 c 
ATOM   1558 H  HD11 . ILE   A 1 88  ? -8.326  2.089   10.432  1.000 12.685 0 200 ILE   A HD11 1 c 
ATOM   1559 H  HD12 . ILE   A 1 88  ? -9.281  3.192   11.069  1.000 12.630 0 200 ILE   A HD12 1 c 
ATOM   1560 H  HD13 . ILE   A 1 88  ? -9.907  1.949   10.296  1.000 12.660 0 200 ILE   A HD13 1 c 
ATOM   1561 N  N    . GLN   A 1 89  ? -9.433  -3.093  13.551  1.000 12.510 0 201 GLN   A N    1 ? 
ATOM   1562 C  CA   . GLN   A 1 89  ? -9.374  -4.516  13.276  1.000 12.782 0 201 GLN   A CA   1 ? 
ATOM   1563 C  C    . GLN   A 1 89  ? -10.597 -4.906  12.461  1.000 12.531 0 201 GLN   A C    1 ? 
ATOM   1564 O  O    . GLN   A 1 89  ? -11.725 -4.637  12.867  1.000 13.113 0 201 GLN   A O    1 ? 
ATOM   1565 C  CB   . GLN   A 1 89  ? -9.258  -5.302  14.576  1.000 13.639 0 201 GLN   A CB   1 ? 
ATOM   1566 C  CG   . GLN   A 1 89  ? -7.868  -5.196  15.189  1.000 14.643 0 201 GLN   A CG   1 ? 
ATOM   1567 C  CD   . GLN   A 1 89  ? -7.781  -5.890  16.525  1.000 16.670 0 201 GLN   A CD   1 ? 
ATOM   1568 O  OE1  . GLN   A 1 89  ? -8.635  -5.700  17.395  1.000 17.855 0 201 GLN   A OE1  1 ? 
ATOM   1569 N  NE2  . GLN   A 1 89  ? -6.755  -6.708  16.696  1.000 18.084 0 201 GLN   A NE2  1 ? 
ATOM   1570 H  H    . GLN   A 1 89  ? -10.125 -2.769  14.052  1.000 12.534 0 201 GLN   A H    1 c 
ATOM   1571 H  HA   . GLN   A 1 89  ? -8.565  -4.697  12.740  1.000 12.750 0 201 GLN   A HA   1 c 
ATOM   1572 H  HB2  . GLN   A 1 89  ? -9.920  -4.962  15.213  1.000 13.579 0 201 GLN   A HB2  1 c 
ATOM   1573 H  HB3  . GLN   A 1 89  ? -9.464  -6.243  14.401  1.000 13.571 0 201 GLN   A HB3  1 c 
ATOM   1574 H  HG2  . GLN   A 1 89  ? -7.213  -5.591  14.575  1.000 14.774 0 201 GLN   A HG2  1 c 
ATOM   1575 H  HG3  . GLN   A 1 89  ? -7.636  -4.250  15.303  1.000 14.751 0 201 GLN   A HG3  1 c 
ATOM   1576 H  HE21 . GLN   A 1 89  ? -6.160  -6.826  16.048  1.000 17.815 0 201 GLN   A HE21 1 c 
ATOM   1577 H  HE22 . GLN   A 1 89  ? -6.661  -7.141  17.464  1.000 17.820 0 201 GLN   A HE22 1 c 
ATOM   1578 N  N    . VAL   A 1 90  ? -10.338 -5.506  11.300  1.000 12.284 0 202 VAL   A N    1 ? 
ATOM   1579 C  CA   . VAL   A 1 90  ? -11.377 -6.047  10.443  1.000 12.209 0 202 VAL   A CA   1 ? 
ATOM   1580 C  C    . VAL   A 1 90  ? -11.270 -7.565  10.514  1.000 12.619 0 202 VAL   A C    1 ? 
ATOM   1581 O  O    . VAL   A 1 90  ? -10.289 -8.137  10.044  1.000 13.328 0 202 VAL   A O    1 ? 
ATOM   1582 C  CB   . VAL   A 1 90  ? -11.254 -5.534  8.997   1.000 12.418 0 202 VAL   A CB   1 ? 
ATOM   1583 C  CG1  . VAL   A 1 90  ? -12.396 -6.052  8.132   1.000 12.629 0 202 VAL   A CG1  1 ? 
ATOM   1584 C  CG2  . VAL   A 1 90  ? -11.198 -4.013  8.936   1.000 12.380 0 202 VAL   A CG2  1 ? 
ATOM   1585 H  H    . VAL   A 1 90  ? -9.469  -5.582  11.029  1.000 12.283 0 202 VAL   A H    1 c 
ATOM   1586 H  HA   . VAL   A 1 90  ? -12.245 -5.774  10.793  1.000 12.309 0 202 VAL   A HA   1 c 
ATOM   1587 H  HB   . VAL   A 1 90  ? -10.408 -5.884  8.632   1.000 12.404 0 202 VAL   A HB   1 c 
ATOM   1588 H  HG11 . VAL   A 1 90  ? -13.245 -5.768  8.511   1.000 12.620 0 202 VAL   A HG11 1 c 
ATOM   1589 H  HG12 . VAL   A 1 90  ? -12.366 -7.023  8.098   1.000 12.595 0 202 VAL   A HG12 1 c 
ATOM   1590 H  HG13 . VAL   A 1 90  ? -12.309 -5.695  7.232   1.000 12.605 0 202 VAL   A HG13 1 c 
ATOM   1591 H  HG21 . VAL   A 1 90  ? -11.125 -3.727  8.010   1.000 12.387 0 202 VAL   A HG21 1 c 
ATOM   1592 H  HG22 . VAL   A 1 90  ? -10.427 -3.694  9.434   1.000 12.385 0 202 VAL   A HG22 1 c 
ATOM   1593 H  HG23 . VAL   A 1 90  ? -12.009 -3.643  9.325   1.000 12.395 0 202 VAL   A HG23 1 c 
ATOM   1594 N  N    . LEU   A 1 91  ? -12.265 -8.194  11.150  1.000 12.909 0 203 LEU   A N    1 ? 
ATOM   1595 C  CA   . LEU   A 1 91  ? -12.332 -9.642  11.268  1.000 13.820 0 203 LEU   A CA   1 ? 
ATOM   1596 C  C    . LEU   A 1 91  ? -13.284 -10.153 10.194  1.000 13.794 0 203 LEU   A C    1 ? 
ATOM   1597 O  O    . LEU   A 1 91  ? -14.452 -9.779  10.175  1.000 14.087 0 203 LEU   A O    1 ? 
ATOM   1598 C  CB   . LEU   A 1 91  ? -12.798 -10.037 12.670  1.000 14.888 0 203 LEU   A CB   1 ? 
ATOM   1599 C  CG   . LEU   A 1 91  ? -12.896 -11.540 12.962  1.000 16.606 0 203 LEU   A CG   1 ? 
ATOM   1600 C  CD1  . LEU   A 1 91  ? -11.605 -12.277 12.655  1.000 16.877 0 203 LEU   A CD1  1 ? 
ATOM   1601 C  CD2  . LEU   A 1 91  ? -13.301 -11.773 14.413  1.000 17.588 0 203 LEU   A CD2  1 ? 
ATOM   1602 H  H    . LEU   A 1 91  ? -12.930 -7.696  11.529  1.000 12.960 0 203 LEU   A H    1 c 
ATOM   1603 H  HA   . LEU   A 1 91  ? -11.429 -10.014 11.107  1.000 13.772 0 203 LEU   A HA   1 c 
ATOM   1604 H  HB2  . LEU   A 1 91  ? -12.180 -9.635  13.323  1.000 14.901 0 203 LEU   A HB2  1 c 
ATOM   1605 H  HB3  . LEU   A 1 91  ? -13.685 -9.635  12.822  1.000 14.929 0 203 LEU   A HB3  1 c 
ATOM   1606 H  HG   . LEU   A 1 91  ? -13.607 -11.920 12.384  1.000 16.493 0 203 LEU   A HG   1 c 
ATOM   1607 H  HD11 . LEU   A 1 91  ? -11.405 -12.205 11.707  1.000 16.798 0 203 LEU   A HD11 1 c 
ATOM   1608 H  HD12 . LEU   A 1 91  ? -11.701 -13.214 12.893  1.000 16.827 0 203 LEU   A HD12 1 c 
ATOM   1609 H  HD13 . LEU   A 1 91  ? -10.878 -11.886 13.169  1.000 16.841 0 203 LEU   A HD13 1 c 
ATOM   1610 H  HD21 . LEU   A 1 91  ? -14.171 -11.371 14.577  1.000 17.484 0 203 LEU   A HD21 1 c 
ATOM   1611 H  HD22 . LEU   A 1 91  ? -12.642 -11.369 15.003  1.000 17.480 0 203 LEU   A HD22 1 c 
ATOM   1612 H  HD23 . LEU   A 1 91  ? -13.348 -12.727 14.587  1.000 17.490 0 203 LEU   A HD23 1 c 
ATOM   1613 N  N    . VAL   A 1 92  ? -12.774 -10.997 9.297   1.000 13.379 0 204 VAL   A N    1 ? 
ATOM   1614 C  CA   . VAL   A 1 92  ? -13.596 -11.563 8.240   1.000 13.685 0 204 VAL   A CA   1 ? 
ATOM   1615 C  C    . VAL   A 1 92  ? -14.377 -12.731 8.838   1.000 14.060 0 204 VAL   A C    1 ? 
ATOM   1616 O  O    . VAL   A 1 92  ? -13.782 -13.647 9.404   1.000 14.226 0 204 VAL   A O    1 ? 
ATOM   1617 C  CB   . VAL   A 1 92  ? -12.732 -11.990 7.039   1.000 13.967 0 204 VAL   A CB   1 ? 
ATOM   1618 C  CG1  . VAL   A 1 92  ? -13.573 -12.540 5.894   1.000 14.419 0 204 VAL   A CG1  1 ? 
ATOM   1619 C  CG2  . VAL   A 1 92  ? -11.854 -10.845 6.543   1.000 14.444 0 204 VAL   A CG2  1 ? 
ATOM   1620 H  H    . VAL   A 1 92  ? -11.893 -11.233 9.348   1.000 13.455 0 204 VAL   A H    1 c 
ATOM   1621 H  HA   . VAL   A 1 92  ? -14.226 -10.880 7.938   1.000 13.716 0 204 VAL   A HA   1 c 
ATOM   1622 H  HB   . VAL   A 1 92  ? -12.138 -12.712 7.351   1.000 14.035 0 204 VAL   A HB   1 c 
ATOM   1623 H  HG11 . VAL   A 1 92  ? -14.206 -11.862 5.601   1.000 14.353 0 204 VAL   A HG11 1 c 
ATOM   1624 H  HG12 . VAL   A 1 92  ? -14.058 -13.327 6.193   1.000 14.355 0 204 VAL   A HG12 1 c 
ATOM   1625 H  HG13 . VAL   A 1 92  ? -12.993 -12.782 5.152   1.000 14.372 0 204 VAL   A HG13 1 c 
ATOM   1626 H  HG21 . VAL   A 1 92  ? -11.329 -11.144 5.785   1.000 14.381 0 204 VAL   A HG21 1 c 
ATOM   1627 H  HG22 . VAL   A 1 92  ? -11.258 -10.559 7.255   1.000 14.373 0 204 VAL   A HG22 1 c 
ATOM   1628 H  HG23 . VAL   A 1 92  ? -12.416 -10.099 6.273   1.000 14.376 0 204 VAL   A HG23 1 c 
ATOM   1629 N  N    A GLU   A 1 93  ? -15.712 -12.656 8.745   0.500 13.791 0 205 GLU   A N    1 ? 
ATOM   1630 N  N    B GLU   A 1 93  ? -15.709 -12.667 8.723   0.500 14.299 0 205 GLU   A N    1 ? 
ATOM   1631 C  CA   A GLU   A 1 93  ? -16.602 -13.733 9.159   0.500 13.933 0 205 GLU   A CA   1 ? 
ATOM   1632 C  CA   B GLU   A 1 93  ? -16.589 -13.745 9.152   0.500 14.945 0 205 GLU   A CA   1 ? 
ATOM   1633 C  C    A GLU   A 1 93  ? -17.282 -14.293 7.912   0.500 13.985 0 205 GLU   A C    1 ? 
ATOM   1634 C  C    B GLU   A 1 93  ? -17.319 -14.272 7.920   0.500 14.700 0 205 GLU   A C    1 ? 
ATOM   1635 O  O    A GLU   A 1 93  ? -17.166 -13.709 6.835   0.500 13.531 0 205 GLU   A O    1 ? 
ATOM   1636 O  O    B GLU   A 1 93  ? -17.269 -13.645 6.862   0.500 14.350 0 205 GLU   A O    1 ? 
ATOM   1637 C  CB   A GLU   A 1 93  ? -17.612 -13.222 10.190  0.500 13.966 0 205 GLU   A CB   1 ? 
ATOM   1638 C  CB   B GLU   A 1 93  ? -17.500 -13.239 10.272  0.500 15.804 0 205 GLU   A CB   1 ? 
ATOM   1639 C  CG   A GLU   A 1 93  ? -16.972 -12.720 11.482  0.500 14.275 0 205 GLU   A CG   1 ? 
ATOM   1640 C  CG   B GLU   A 1 93  ? -16.707 -12.797 11.499  0.500 16.839 0 205 GLU   A CG   1 ? 
ATOM   1641 C  CD   A GLU   A 1 93  ? -16.264 -13.784 12.303  0.500 14.880 0 205 GLU   A CD   1 ? 
ATOM   1642 C  CD   B GLU   A 1 93  ? -17.516 -12.485 12.744  0.500 18.363 0 205 GLU   A CD   1 ? 
ATOM   1643 O  OE1  A GLU   A 1 93  ? -15.811 -13.454 13.419  0.500 15.550 0 205 GLU   A OE1  1 ? 
ATOM   1644 O  OE1  B GLU   A 1 93  ? -18.756 -12.549 12.678  0.500 19.128 0 205 GLU   A OE1  1 ? 
ATOM   1645 O  OE2  A GLU   A 1 93  ? -16.164 -14.936 11.832  0.500 15.639 0 205 GLU   A OE2  1 ? 
ATOM   1646 O  OE2  B GLU   A 1 93  ? -16.890 -12.185 13.783  0.500 19.784 0 205 GLU   A OE2  1 ? 
ATOM   1647 H  H    A GLU   A 1 93  ? -16.084 -11.893 8.407   0.500 13.844 0 205 GLU   A H    1 c 
ATOM   1648 H  H    B GLU   A 1 93  ? -16.085 -11.917 8.362   0.500 14.343 0 205 GLU   A H    1 c 
ATOM   1649 H  HA   A GLU   A 1 93  ? -16.058 -14.448 9.575   0.500 13.927 0 205 GLU   A HA   1 c 
ATOM   1650 H  HA   B GLU   A 1 93  ? -16.030 -14.475 9.520   0.500 14.913 0 205 GLU   A HA   1 c 
ATOM   1651 H  HB2  A GLU   A 1 93  ? -18.131 -12.495 9.791   0.500 13.987 0 205 GLU   A HB2  1 c 
ATOM   1652 H  HB2  B GLU   A 1 93  ? -18.027 -12.484 9.936   0.500 15.789 0 205 GLU   A HB2  1 c 
ATOM   1653 H  HB3  A GLU   A 1 93  ? -18.232 -13.945 10.413  0.500 13.995 0 205 GLU   A HB3  1 c 
ATOM   1654 H  HB3  B GLU   A 1 93  ? -18.122 -13.950 10.527  0.500 15.789 0 205 GLU   A HB3  1 c 
ATOM   1655 H  HG2  A GLU   A 1 93  ? -16.323 -12.019 11.262  0.500 14.300 0 205 GLU   A HG2  1 c 
ATOM   1656 H  HG2  B GLU   A 1 93  ? -16.063 -13.500 11.725  0.500 16.879 0 205 GLU   A HG2  1 c 
ATOM   1657 H  HG3  A GLU   A 1 93  ? -17.667 -12.311 12.041  0.500 14.294 0 205 GLU   A HG3  1 c 
ATOM   1658 H  HG3  B GLU   A 1 93  ? -16.190 -11.997 11.265  0.500 16.870 0 205 GLU   A HG3  1 c 
ATOM   1659 N  N    . PRO   A 1 94  ? -17.980 -15.451 7.993   1.000 14.573 0 206 PRO   A N    1 ? 
ATOM   1660 C  CA   . PRO   A 1 94  ? -18.622 -16.024 6.810   1.000 14.761 0 206 PRO   A CA   1 ? 
ATOM   1661 C  C    . PRO   A 1 94  ? -19.614 -15.120 6.075   1.000 14.574 0 206 PRO   A C    1 ? 
ATOM   1662 O  O    . PRO   A 1 94  ? -19.656 -15.170 4.851   1.000 15.189 0 206 PRO   A O    1 ? 
ATOM   1663 C  CB   . PRO   A 1 94  ? -19.271 -17.302 7.364   1.000 15.176 0 206 PRO   A CB   1 ? 
ATOM   1664 C  CG   . PRO   A 1 94  ? -18.398 -17.659 8.548   1.000 15.382 0 206 PRO   A CG   1 ? 
ATOM   1665 C  CD   . PRO   A 1 94  ? -18.095 -16.312 9.182   1.000 15.095 0 206 PRO   A CD   1 ? 
ATOM   1666 H  HA   . PRO   A 1 94  ? -17.906 -16.285 6.178   1.000 14.747 0 206 PRO   A HA   1 c 
ATOM   1667 H  HB2  . PRO   A 1 94  ? -20.200 -17.133 7.647   1.000 15.148 0 206 PRO   A HB2  1 c 
ATOM   1668 H  HB3  . PRO   A 1 94  ? -19.263 -18.023 6.690   1.000 15.143 0 206 PRO   A HB3  1 c 
ATOM   1669 H  HG2  . PRO   A 1 94  ? -18.875 -18.243 9.174   1.000 15.330 0 206 PRO   A HG2  1 c 
ATOM   1670 H  HG3  . PRO   A 1 94  ? -17.575 -18.105 8.258   1.000 15.333 0 206 PRO   A HG3  1 c 
ATOM   1671 H  HD2  . PRO   A 1 94  ? -18.828 -16.023 9.768   1.000 15.067 0 206 PRO   A HD2  1 c 
ATOM   1672 H  HD3  . PRO   A 1 94  ? -17.257 -16.344 9.693   1.000 15.041 0 206 PRO   A HD3  1 c 
ATOM   1673 N  N    . ASP   A 1 95  ? -20.376 -14.287 6.807   1.000 14.279 0 207 ASP   A N    1 ? 
ATOM   1674 C  CA   . ASP   A 1 95  ? -21.433 -13.471 6.211   1.000 14.043 0 207 ASP   A CA   1 ? 
ATOM   1675 C  C    . ASP   A 1 95  ? -21.178 -11.968 6.317   1.000 13.778 0 207 ASP   A C    1 ? 
ATOM   1676 O  O    . ASP   A 1 95  ? -21.927 -11.192 5.727   1.000 13.981 0 207 ASP   A O    1 ? 
ATOM   1677 C  CB   . ASP   A 1 95  ? -22.789 -13.781 6.822   1.000 14.548 0 207 ASP   A CB   1 ? 
ATOM   1678 C  CG   . ASP   A 1 95  ? -23.389 -15.097 6.363   1.000 15.346 0 207 ASP   A CG   1 ? 
ATOM   1679 O  OD1  . ASP   A 1 95  ? -22.967 -15.588 5.297   1.000 15.960 0 207 ASP   A OD1  1 ? 
ATOM   1680 O  OD2  . ASP   A 1 95  ? -24.258 -15.620 7.083   1.000 16.405 0 207 ASP   A OD2  1 ? 
ATOM   1681 H  H    . ASP   A 1 95  ? -20.240 -14.238 7.709   1.000 14.249 0 207 ASP   A H    1 c 
ATOM   1682 H  HA   . ASP   A 1 95  ? -21.488 -13.693 5.257   1.000 14.101 0 207 ASP   A HA   1 c 
ATOM   1683 H  HB2  . ASP   A 1 95  ? -22.697 -13.808 7.798   1.000 14.628 0 207 ASP   A HB2  1 c 
ATOM   1684 H  HB3  . ASP   A 1 95  ? -23.421 -13.066 6.599   1.000 14.571 0 207 ASP   A HB3  1 c 
ATOM   1685 N  N    . HIS   A 1 96  ? -20.124 -11.542 7.023   1.000 14.157 0 208 HIS   A N    1 ? 
ATOM   1686 C  CA   . HIS   A 1 96  ? -19.875 -10.115 7.188   1.000 14.147 0 208 HIS   A CA   1 ? 
ATOM   1687 C  C    . HIS   A 1 96  ? -18.415 -9.841  7.534   1.000 13.651 0 208 HIS   A C    1 ? 
ATOM   1688 O  O    . HIS   A 1 96  ? -17.685 -10.744 7.941   1.000 13.574 0 208 HIS   A O    1 ? 
ATOM   1689 C  CB   . HIS   A 1 96  ? -20.795 -9.518  8.260   1.000 15.704 0 208 HIS   A CB   1 ? 
ATOM   1690 C  CG   . HIS   A 1 96  ? -20.697 -10.165 9.600   1.000 17.741 0 208 HIS   A CG   1 ? 
ATOM   1691 N  ND1  . HIS   A 1 96  ? -21.644 -11.061 10.043  1.000 19.414 0 208 HIS   A ND1  1 ? 
ATOM   1692 C  CD2  . HIS   A 1 96  ? -19.805 -10.044 10.597  1.000 18.805 0 208 HIS   A CD2  1 ? 
ATOM   1693 C  CE1  . HIS   A 1 96  ? -21.324 -11.469 11.261  1.000 19.805 0 208 HIS   A CE1  1 ? 
ATOM   1694 N  NE2  . HIS   A 1 96  ? -20.212 -10.864 11.618  1.000 19.427 0 208 HIS   A NE2  1 ? 
ATOM   1695 H  H    . HIS   A 1 96  ? -19.552 -12.142 7.407   1.000 14.083 0 208 HIS   A H    1 c 
ATOM   1696 H  HA   . HIS   A 1 96  ? -20.071 -9.673  6.326   1.000 14.210 0 208 HIS   A HA   1 c 
ATOM   1697 H  HB2  . HIS   A 1 96  ? -20.585 -8.563  8.356   1.000 15.663 0 208 HIS   A HB2  1 c 
ATOM   1698 H  HB3  . HIS   A 1 96  ? -21.720 -9.583  7.948   1.000 15.707 0 208 HIS   A HB3  1 c 
ATOM   1699 H  HD1  . HIS   A 1 96  ? -22.366 -11.309 9.600   0.000 22.587 0 208 HIS   A HD1  1 c 
ATOM   1700 H  HD2  . HIS   A 1 96  ? -19.040 -9.503  10.602  1.000 18.739 0 208 HIS   A HD2  1 c 
ATOM   1701 H  HE1  . HIS   A 1 96  ? -21.809 -12.087 11.781  1.000 19.721 0 208 HIS   A HE1  1 c 
ATOM   1702 H  HE2  . HIS   A 1 96  ? -19.783 -10.971 12.385  0.000 21.676 0 208 HIS   A HE2  1 c 
ATOM   1703 N  N    . PHE   A 1 97  ? -18.025 -8.576  7.346   1.000 12.959 0 209 PHE   A N    1 ? 
ATOM   1704 C  CA   . PHE   A 1 97  ? -16.855 -7.998  7.991   1.000 13.141 0 209 PHE   A CA   1 ? 
ATOM   1705 C  C    . PHE   A 1 97  ? -17.281 -7.454  9.349   1.000 13.357 0 209 PHE   A C    1 ? 
ATOM   1706 O  O    . PHE   A 1 97  ? -18.290 -6.755  9.425   1.000 13.925 0 209 PHE   A O    1 ? 
ATOM   1707 C  CB   . PHE   A 1 97  ? -16.273 -6.847  7.169   1.000 13.304 0 209 PHE   A CB   1 ? 
ATOM   1708 C  CG   . PHE   A 1 97  ? -15.768 -7.253  5.798   1.000 13.739 0 209 PHE   A CG   1 ? 
ATOM   1709 C  CD1  . PHE   A 1 97  ? -14.516 -7.838  5.655   1.000 13.903 0 209 PHE   A CD1  1 ? 
ATOM   1710 C  CD2  . PHE   A 1 97  ? -16.540 -7.050  4.661   1.000 14.306 0 209 PHE   A CD2  1 ? 
ATOM   1711 C  CE1  . PHE   A 1 97  ? -14.048 -8.208  4.404   1.000 14.388 0 209 PHE   A CE1  1 ? 
ATOM   1712 C  CE2  . PHE   A 1 97  ? -16.064 -7.417  3.412   1.000 14.785 0 209 PHE   A CE2  1 ? 
ATOM   1713 C  CZ   . PHE   A 1 97  ? -14.823 -7.998  3.287   1.000 14.654 0 209 PHE   A CZ   1 ? 
ATOM   1714 H  H    . PHE   A 1 97  ? -18.514 -8.048  6.783   1.000 13.099 0 209 PHE   A H    1 c 
ATOM   1715 H  HA   . PHE   A 1 97  ? -16.163 -8.702  8.114   1.000 13.156 0 209 PHE   A HA   1 c 
ATOM   1716 H  HB2  . PHE   A 1 97  ? -16.968 -6.160  7.060   1.000 13.333 0 209 PHE   A HB2  1 c 
ATOM   1717 H  HB3  . PHE   A 1 97  ? -15.532 -6.445  7.674   1.000 13.322 0 209 PHE   A HB3  1 c 
ATOM   1718 H  HD1  . PHE   A 1 97  ? -13.980 -7.985  6.418   1.000 13.955 0 209 PHE   A HD1  1 c 
ATOM   1719 H  HD2  . PHE   A 1 97  ? -17.392 -6.651  4.741   1.000 14.309 0 209 PHE   A HD2  1 c 
ATOM   1720 H  HE1  . PHE   A 1 97  ? -13.196 -8.606  4.319   1.000 14.335 0 209 PHE   A HE1  1 c 
ATOM   1721 H  HE2  . PHE   A 1 97  ? -16.597 -7.274  2.647   1.000 14.681 0 209 PHE   A HE2  1 c 
ATOM   1722 H  HZ   . PHE   A 1 97  ? -14.503 -8.251  2.436   1.000 14.614 0 209 PHE   A HZ   1 c 
ATOM   1723 N  N    . LYS   A 1 98  ? -16.530 -7.803  10.399  1.000 13.116 0 210 LYS   A N    1 ? 
ATOM   1724 C  CA   . LYS   A 1 98  ? -16.727 -7.249  11.730  1.000 13.896 0 210 LYS   A CA   1 ? 
ATOM   1725 C  C    . LYS   A 1 98  ? -15.589 -6.269  12.002  1.000 13.262 0 210 LYS   A C    1 ? 
ATOM   1726 O  O    . LYS   A 1 98  ? -14.420 -6.620  11.837  1.000 14.639 0 210 LYS   A O    1 ? 
ATOM   1727 C  CB   . LYS   A 1 98  ? -16.736 -8.366  12.779  1.000 16.028 0 210 LYS   A CB   1 ? 
ATOM   1728 C  CG   . LYS   A 1 98  ? -17.240 -7.953  14.153  1.000 18.247 0 210 LYS   A CG   1 ? 
ATOM   1729 C  CD   . LYS   A 1 98  ? -16.849 -8.883  15.296  1.000 20.632 0 210 LYS   A CD   1 ? 
ATOM   1730 C  CE   . LYS   A 1 98  ? -15.696 -8.397  16.121  1.000 22.355 0 210 LYS   A CE   1 ? 
ATOM   1731 N  NZ   . LYS   A 1 98  ? -15.890 -7.039  16.647  1.000 22.934 0 210 LYS   A NZ   1 ? 
ATOM   1732 H  H    . LYS   A 1 98  ? -15.864 -8.417  10.279  1.000 13.235 0 210 LYS   A H    1 c 
ATOM   1733 H  HA   . LYS   A 1 98  ? -17.591 -6.766  11.754  1.000 13.895 0 210 LYS   A HA   1 c 
ATOM   1734 H  HB2  . LYS   A 1 98  ? -17.301 -9.097  12.451  1.000 15.896 0 210 LYS   A HB2  1 c 
ATOM   1735 H  HB3  . LYS   A 1 98  ? -15.825 -8.716  12.875  1.000 15.909 0 210 LYS   A HB3  1 c 
ATOM   1736 H  HG2  . LYS   A 1 98  ? -16.901 -7.053  14.345  1.000 18.145 0 210 LYS   A HG2  1 c 
ATOM   1737 H  HG3  . LYS   A 1 98  ? -18.219 -7.896  14.117  1.000 18.202 0 210 LYS   A HG3  1 c 
ATOM   1738 H  HD2  . LYS   A 1 98  ? -17.627 -9.008  15.882  1.000 20.470 0 210 LYS   A HD2  1 c 
ATOM   1739 H  HD3  . LYS   A 1 98  ? -16.618 -9.761  14.920  1.000 20.402 0 210 LYS   A HD3  1 c 
ATOM   1740 H  HE2  . LYS   A 1 98  ? -15.579 -9.001  16.876  1.000 22.272 0 210 LYS   A HE2  1 c 
ATOM   1741 H  HE3  . LYS   A 1 98  ? -14.881 -8.422  15.590  1.000 22.308 0 210 LYS   A HE3  1 c 
ATOM   1742 H  HZ1  . LYS   A 1 98  ? -16.650 -7.015  17.138  1.000 22.862 0 210 LYS   A HZ1  1 c 
ATOM   1743 H  HZ2  . LYS   A 1 98  ? -15.946 -6.437  15.974  1.000 22.801 0 210 LYS   A HZ2  1 c 
ATOM   1744 H  HZ3  . LYS   A 1 98  ? -15.195 -6.813  17.174  1.000 22.816 0 210 LYS   A HZ3  1 c 
ATOM   1745 N  N    . VAL   A 1 99  ? -15.938 -5.042  12.403  1.000 12.565 0 211 VAL   A N    1 ? 
ATOM   1746 C  CA   . VAL   A 1 99  ? -14.951 -4.002  12.664  1.000 12.379 0 211 VAL   A CA   1 ? 
ATOM   1747 C  C    . VAL   A 1 99  ? -14.956 -3.665  14.151  1.000 12.187 0 211 VAL   A C    1 ? 
ATOM   1748 O  O    . VAL   A 1 99  ? -16.012 -3.388  14.721  1.000 12.403 0 211 VAL   A O    1 ? 
ATOM   1749 C  CB   . VAL   A 1 99  ? -15.219 -2.743  11.819  1.000 12.638 0 211 VAL   A CB   1 ? 
ATOM   1750 C  CG1  . VAL   A 1 99  ? -14.187 -1.648  12.076  1.000 12.927 0 211 VAL   A CG1  1 ? 
ATOM   1751 C  CG2  . VAL   A 1 99  ? -15.279 -3.082  10.337  1.000 13.108 0 211 VAL   A CG2  1 ? 
ATOM   1752 H  H    . VAL   A 1 99  ? -16.823 -4.845  12.519  1.000 12.630 0 211 VAL   A H    1 c 
ATOM   1753 H  HA   . VAL   A 1 99  ? -14.071 -4.345  12.426  1.000 12.402 0 211 VAL   A HA   1 c 
ATOM   1754 H  HB   . VAL   A 1 99  ? -16.103 -2.395  12.086  1.000 12.640 0 211 VAL   A HB   1 c 
ATOM   1755 H  HG11 . VAL   A 1 99  ? -13.298 -1.986  11.874  1.000 12.903 0 211 VAL   A HG11 1 c 
ATOM   1756 H  HG12 . VAL   A 1 99  ? -14.225 -1.374  13.007  1.000 12.890 0 211 VAL   A HG12 1 c 
ATOM   1757 H  HG13 . VAL   A 1 99  ? -14.377 -0.883  11.507  1.000 12.875 0 211 VAL   A HG13 1 c 
ATOM   1758 H  HG21 . VAL   A 1 99  ? -15.440 -2.272  9.824   1.000 13.024 0 211 VAL   A HG21 1 c 
ATOM   1759 H  HG22 . VAL   A 1 99  ? -15.999 -3.714  10.175  1.000 13.049 0 211 VAL   A HG22 1 c 
ATOM   1760 H  HG23 . VAL   A 1 99  ? -14.434 -3.476  10.060  1.000 13.062 0 211 VAL   A HG23 1 c 
ATOM   1761 N  N    . ALA   A 1 100 ? -13.767 -3.695  14.761  1.000 12.099 0 212 ALA   A N    1 ? 
ATOM   1762 C  CA   . ALA   A 1 100 ? -13.552 -3.198  16.111  1.000 12.213 0 212 ALA   A CA   1 ? 
ATOM   1763 C  C    . ALA   A 1 100 ? -12.467 -2.128  16.061  1.000 11.963 0 212 ALA   A C    1 ? 
ATOM   1764 O  O    . ALA   A 1 100 ? -11.475 -2.292  15.348  1.000 12.455 0 212 ALA   A O    1 ? 
ATOM   1765 C  CB   . ALA   A 1 100 ? -13.152 -4.331  17.030  1.000 13.182 0 212 ALA   A CB   1 ? 
ATOM   1766 H  H    . ALA   A 1 100 ? -13.053 -4.044  14.310  1.000 12.136 0 212 ALA   A H    1 c 
ATOM   1767 H  HA   . ALA   A 1 100 ? -14.396 -2.785  16.439  1.000 12.249 0 212 ALA   A HA   1 c 
ATOM   1768 H  HB1  . ALA   A 1 100 ? -13.852 -5.003  17.044  1.000 13.066 0 212 ALA   A HB1  1 c 
ATOM   1769 H  HB2  . ALA   A 1 100 ? -12.327 -4.734  16.713  1.000 13.094 0 212 ALA   A HB2  1 c 
ATOM   1770 H  HB3  . ALA   A 1 100 ? -13.017 -3.990  17.930  1.000 13.023 0 212 ALA   A HB3  1 c 
ATOM   1771 N  N    . VAL   A 1 101 ? -12.655 -1.042  16.816  1.000 11.663 0 213 VAL   A N    1 ? 
ATOM   1772 C  CA   . VAL   A 1 101 ? -11.656 0.016   16.898  1.000 11.525 0 213 VAL   A CA   1 ? 
ATOM   1773 C  C    . VAL   A 1 101 ? -11.212 0.132   18.353  1.000 11.794 0 213 VAL   A C    1 ? 
ATOM   1774 O  O    . VAL   A 1 101 ? -12.053 0.208   19.248  1.000 12.160 0 213 VAL   A O    1 ? 
ATOM   1775 C  CB   . VAL   A 1 101 ? -12.197 1.352   16.348  1.000 11.793 0 213 VAL   A CB   1 ? 
ATOM   1776 C  CG1  . VAL   A 1 101 ? -11.180 2.478   16.501  1.000 12.010 0 213 VAL   A CG1  1 ? 
ATOM   1777 C  CG2  . VAL   A 1 101 ? -12.623 1.221   14.893  1.000 11.824 0 213 VAL   A CG2  1 ? 
ATOM   1778 H  H    . VAL   A 1 101 ? -13.428 -0.956  17.295  1.000 11.653 0 213 VAL   A H    1 c 
ATOM   1779 H  HA   . VAL   A 1 101 ? -10.888 -0.244  16.359  1.000 11.608 0 213 VAL   A HA   1 c 
ATOM   1780 H  HB   . VAL   A 1 101 ? -12.994 1.584   16.880  1.000 11.780 0 213 VAL   A HB   1 c 
ATOM   1781 H  HG11 . VAL   A 1 101 ? -10.360 2.240   16.038  1.000 12.000 0 213 VAL   A HG11 1 c 
ATOM   1782 H  HG12 . VAL   A 1 101 ? -10.989 2.622   17.443  1.000 11.985 0 213 VAL   A HG12 1 c 
ATOM   1783 H  HG13 . VAL   A 1 101 ? -11.541 3.295   16.118  1.000 11.990 0 213 VAL   A HG13 1 c 
ATOM   1784 H  HG21 . VAL   A 1 101 ? -12.958 2.076   14.574  1.000 11.807 0 213 VAL   A HG21 1 c 
ATOM   1785 H  HG22 . VAL   A 1 101 ? -13.324 0.551   14.817  1.000 11.808 0 213 VAL   A HG22 1 c 
ATOM   1786 H  HG23 . VAL   A 1 101 ? -11.861 0.951   14.354  1.000 11.819 0 213 VAL   A HG23 1 c 
ATOM   1787 N  N    . ASN   A 1 102 ? -9.892  0.100   18.583  1.000 12.004 0 214 ASN   A N    1 ? 
ATOM   1788 C  CA   . ASN   A 1 102 ? -9.338  0.193   19.929  1.000 12.746 0 214 ASN   A CA   1 ? 
ATOM   1789 C  C    . ASN   A 1 102 ? -10.015 -0.831  20.845  1.000 13.597 0 214 ASN   A C    1 ? 
ATOM   1790 O  O    . ASN   A 1 102 ? -10.361 -0.514  21.984  1.000 14.650 0 214 ASN   A O    1 ? 
ATOM   1791 C  CB   . ASN   A 1 102 ? -9.460  1.618   20.461  1.000 12.615 0 214 ASN   A CB   1 ? 
ATOM   1792 C  CG   . ASN   A 1 102 ? -8.840  2.634   19.531  1.000 12.440 0 214 ASN   A CG   1 ? 
ATOM   1793 O  OD1  . ASN   A 1 102 ? -7.957  2.297   18.733  1.000 12.505 0 214 ASN   A OD1  1 ? 
ATOM   1794 N  ND2  . ASN   A 1 102 ? -9.252  3.888   19.644  1.000 12.916 0 214 ASN   A ND2  1 ? 
ATOM   1795 H  H    . ASN   A 1 102 ? -9.317  0.018   17.877  1.000 12.044 0 214 ASN   A H    1 c 
ATOM   1796 H  HA   . ASN   A 1 102 ? -8.379  -0.023  19.880  1.000 12.788 0 214 ASN   A HA   1 c 
ATOM   1797 H  HB2  . ASN   A 1 102 ? -10.406 1.834   20.587  1.000 12.596 0 214 ASN   A HB2  1 c 
ATOM   1798 H  HB3  . ASN   A 1 102 ? -9.020  1.673   21.332  1.000 12.607 0 214 ASN   A HB3  1 c 
ATOM   1799 H  HD21 . ASN   A 1 102 ? -9.860  4.103   20.252  1.000 12.835 0 214 ASN   A HD21 1 c 
ATOM   1800 H  HD22 . ASN   A 1 102 ? -8.918  4.512   19.110  1.000 12.824 0 214 ASN   A HD22 1 c 
ATOM   1801 N  N    . ASP   A 1 103 ? -10.196 -2.055  20.330  1.000 14.316 0 215 ASP   A N    1 ? 
ATOM   1802 C  CA   . ASP   A 1 103 ? -10.690 -3.207  21.081  1.000 15.518 0 215 ASP   A CA   1 ? 
ATOM   1803 C  C    . ASP   A 1 103 ? -12.151 -3.061  21.515  1.000 15.556 0 215 ASP   A C    1 ? 
ATOM   1804 O  O    . ASP   A 1 103 ? -12.584 -3.775  22.417  1.000 16.895 0 215 ASP   A O    1 ? 
ATOM   1805 C  CB   . ASP   A 1 103 ? -9.788  -3.546  22.258  1.000 16.870 0 215 ASP   A CB   1 ? 
ATOM   1806 C  CG   . ASP   A 1 103 ? -8.406  -4.028  21.851  1.000 18.080 0 215 ASP   A CG   1 ? 
ATOM   1807 O  OD1  . ASP   A 1 103 ? -8.339  -4.970  21.034  1.000 19.456 0 215 ASP   A OD1  1 ? 
ATOM   1808 O  OD2  . ASP   A 1 103 ? -7.416  -3.459  22.347  1.000 20.676 0 215 ASP   A OD2  1 ? 
ATOM   1809 H  H    . ASP   A 1 103 ? -9.987  -2.181  19.450  1.000 14.318 0 215 ASP   A H    1 c 
ATOM   1810 H  HA   . ASP   A 1 103 ? -10.644 -3.987  20.483  1.000 15.531 0 215 ASP   A HA   1 c 
ATOM   1811 H  HB2  . ASP   A 1 103 ? -9.688  -2.761  22.835  1.000 16.769 0 215 ASP   A HB2  1 c 
ATOM   1812 H  HB3  . ASP   A 1 103 ? -10.205 -4.255  22.790  1.000 16.799 0 215 ASP   A HB3  1 c 
ATOM   1813 N  N    . ALA   A 1 104 ? -12.909 -2.178  20.854  1.000 14.467 0 216 ALA   A N    1 ? 
ATOM   1814 C  CA   . ALA   A 1 104 ? -14.348 -2.060  21.065  1.000 14.691 0 216 ALA   A CA   1 ? 
ATOM   1815 C  C    . ALA   A 1 104 ? -15.072 -2.314  19.747  1.000 14.620 0 216 ALA   A C    1 ? 
ATOM   1816 O  O    . ALA   A 1 104 ? -14.751 -1.692  18.737  1.000 14.491 0 216 ALA   A O    1 ? 
ATOM   1817 C  CB   . ALA   A 1 104 ? -14.686 -0.689  21.610  1.000 15.553 0 216 ALA   A CB   1 ? 
ATOM   1818 H  H    . ALA   A 1 104 ? -12.515 -1.629  20.239  1.000 14.615 0 216 ALA   A H    1 c 
ATOM   1819 H  HA   . ALA   A 1 104 ? -14.632 -2.753  21.722  1.000 14.760 0 216 ALA   A HA   1 c 
ATOM   1820 H  HB1  . ALA   A 1 104 ? -14.231 -0.552  22.458  1.000 15.436 0 216 ALA   A HB1  1 c 
ATOM   1821 H  HB2  . ALA   A 1 104 ? -14.401 -0.007  20.979  1.000 15.550 0 216 ALA   A HB2  1 c 
ATOM   1822 H  HB3  . ALA   A 1 104 ? -15.646 -0.618  21.746  1.000 15.496 0 216 ALA   A HB3  1 c 
ATOM   1823 N  N    . HIS   A 1 105 ? -16.063 -3.214  19.771  1.000 15.235 0 217 HIS   A N    1 ? 
ATOM   1824 C  CA   . HIS   A 1 105 ? -16.880 -3.497  18.599  1.000 15.460 0 217 HIS   A CA   1 ? 
ATOM   1825 C  C    . HIS   A 1 105 ? -17.486 -2.198  18.067  1.000 14.934 0 217 HIS   A C    1 ? 
ATOM   1826 O  O    . HIS   A 1 105 ? -17.981 -1.385  18.849  1.000 15.692 0 217 HIS   A O    1 ? 
ATOM   1827 C  CB   . HIS   A 1 105 ? -17.990 -4.503  18.924  1.000 16.499 0 217 HIS   A CB   1 ? 
ATOM   1828 C  CG   . HIS   A 1 105 ? -18.885 -4.755  17.760  1.000 17.702 0 217 HIS   A CG   1 ? 
ATOM   1829 N  ND1  . HIS   A 1 105 ? -18.486 -5.511  16.681  1.000 19.055 0 217 HIS   A ND1  1 ? 
ATOM   1830 C  CD2  . HIS   A 1 105 ? -20.121 -4.321  17.473  1.000 18.398 0 217 HIS   A CD2  1 ? 
ATOM   1831 C  CE1  . HIS   A 1 105 ? -19.467 -5.551  15.791  1.000 19.229 0 217 HIS   A CE1  1 ? 
ATOM   1832 N  NE2  . HIS   A 1 105 ? -20.471 -4.835  16.252  1.000 18.872 0 217 HIS   A NE2  1 ? 
ATOM   1833 H  H    . HIS   A 1 105 ? -16.238 -3.662  20.548  1.000 15.155 0 217 HIS   A H    1 c 
ATOM   1834 H  HA   . HIS   A 1 105 ? -16.293 -3.879  17.901  1.000 15.468 0 217 HIS   A HA   1 c 
ATOM   1835 H  HB2  . HIS   A 1 105 ? -17.581 -5.350  19.204  1.000 16.519 0 217 HIS   A HB2  1 c 
ATOM   1836 H  HB3  . HIS   A 1 105 ? -18.523 -4.157  19.672  1.000 16.520 0 217 HIS   A HB3  1 c 
ATOM   1837 H  HD1  . HIS   A 1 105 ? -17.686 -5.886  16.593  0.000 21.013 0 217 HIS   A HD1  1 c 
ATOM   1838 H  HD2  . HIS   A 1 105 ? -20.662 -3.779  18.012  1.000 18.360 0 217 HIS   A HD2  1 c 
ATOM   1839 H  HE1  . HIS   A 1 105 ? -19.445 -6.011  14.970  1.000 19.152 0 217 HIS   A HE1  1 c 
ATOM   1840 H  HE2  . HIS   A 1 105 ? -21.234 -4.701  15.839  0.000 20.113 0 217 HIS   A HE2  1 c 
ATOM   1841 N  N    . LEU   A 1 106 ? -17.447 -2.016  16.740  1.000 14.441 0 218 LEU   A N    1 ? 
ATOM   1842 C  CA   . LEU   A 1 106 ? -17.989 -0.823  16.099  1.000 14.205 0 218 LEU   A CA   1 ? 
ATOM   1843 C  C    . LEU   A 1 106 ? -19.179 -1.187  15.211  1.000 13.940 0 218 LEU   A C    1 ? 
ATOM   1844 O  O    . LEU   A 1 106 ? -20.258 -0.617  15.375  1.000 14.618 0 218 LEU   A O    1 ? 
ATOM   1845 C  CB   . LEU   A 1 106 ? -16.911 -0.098  15.295  1.000 14.475 0 218 LEU   A CB   1 ? 
ATOM   1846 C  CG   . LEU   A 1 106 ? -17.371 1.162   14.552  1.000 15.144 0 218 LEU   A CG   1 ? 
ATOM   1847 C  CD1  . LEU   A 1 106 ? -17.920 2.215   15.502  1.000 15.942 0 218 LEU   A CD1  1 ? 
ATOM   1848 C  CD2  . LEU   A 1 106 ? -16.232 1.731   13.725  1.000 15.267 0 218 LEU   A CD2  1 ? 
ATOM   1849 H  H    . LEU   A 1 106 ? -17.064 -2.658  16.215  1.000 14.474 0 218 LEU   A H    1 c 
ATOM   1850 H  HA   . LEU   A 1 106 ? -18.316 -0.217  16.810  1.000 14.254 0 218 LEU   A HA   1 c 
ATOM   1851 H  HB2  . LEU   A 1 106 ? -16.183 0.152   15.911  1.000 14.534 0 218 LEU   A HB2  1 c 
ATOM   1852 H  HB3  . LEU   A 1 106 ? -16.541 -0.730  14.637  1.000 14.512 0 218 LEU   A HB3  1 c 
ATOM   1853 H  HG   . LEU   A 1 106 ? -18.098 0.905   13.928  1.000 15.132 0 218 LEU   A HG   1 c 
ATOM   1854 H  HD11 . LEU   A 1 106 ? -18.698 1.863   15.966  1.000 15.826 0 218 LEU   A HD11 1 c 
ATOM   1855 H  HD12 . LEU   A 1 106 ? -18.177 3.005   14.998  1.000 15.819 0 218 LEU   A HD12 1 c 
ATOM   1856 H  HD13 . LEU   A 1 106 ? -17.238 2.454   16.152  1.000 15.842 0 218 LEU   A HD13 1 c 
ATOM   1857 H  HD21 . LEU   A 1 106 ? -15.937 1.069   13.078  1.000 15.250 0 218 LEU   A HD21 1 c 
ATOM   1858 H  HD22 . LEU   A 1 106 ? -15.491 1.964   14.310  1.000 15.259 0 218 LEU   A HD22 1 c 
ATOM   1859 H  HD23 . LEU   A 1 106 ? -16.536 2.527   13.258  1.000 15.249 0 218 LEU   A HD23 1 c 
ATOM   1860 N  N    . LEU   A 1 107 ? -18.986 -2.096  14.247  1.000 13.232 0 219 LEU   A N    1 ? 
ATOM   1861 C  CA   . LEU   A 1 107 ? -20.056 -2.420  13.310  1.000 13.470 0 219 LEU   A CA   1 ? 
ATOM   1862 C  C    . LEU   A 1 107 ? -19.786 -3.746  12.606  1.000 13.717 0 219 LEU   A C    1 ? 
ATOM   1863 O  O    . LEU   A 1 107 ? -18.669 -4.275  12.661  1.000 14.108 0 219 LEU   A O    1 ? 
ATOM   1864 C  CB   . LEU   A 1 107 ? -20.221 -1.286  12.296  1.000 13.770 0 219 LEU   A CB   1 ? 
ATOM   1865 C  CG   . LEU   A 1 107 ? -19.010 -0.973  11.408  1.000 14.154 0 219 LEU   A CG   1 ? 
ATOM   1866 C  CD1  . LEU   A 1 107 ? -18.901 -1.898  10.206  1.000 14.347 0 219 LEU   A CD1  1 ? 
ATOM   1867 C  CD2  . LEU   A 1 107 ? -19.057 0.472   10.940  1.000 14.741 0 219 LEU   A CD2  1 ? 
ATOM   1868 H  H    . LEU   A 1 107 ? -18.179 -2.518  14.168  1.000 13.303 0 219 LEU   A H    1 c 
ATOM   1869 H  HA   . LEU   A 1 107 ? -20.898 -2.513  13.826  1.000 13.441 0 219 LEU   A HA   1 c 
ATOM   1870 H  HB2  . LEU   A 1 107 ? -20.982 -1.507  11.711  1.000 13.766 0 219 LEU   A HB2  1 c 
ATOM   1871 H  HB3  . LEU   A 1 107 ? -20.460 -0.469  12.788  1.000 13.785 0 219 LEU   A HB3  1 c 
ATOM   1872 H  HG   . LEU   A 1 107 ? -18.190 -1.087  11.954  1.000 14.171 0 219 LEU   A HG   1 c 
ATOM   1873 H  HD11 . LEU   A 1 107 ? -18.785 -2.814  10.506  1.000 14.321 0 219 LEU   A HD11 1 c 
ATOM   1874 H  HD12 . LEU   A 1 107 ? -18.136 -1.638  9.666   1.000 14.322 0 219 LEU   A HD12 1 c 
ATOM   1875 H  HD13 . LEU   A 1 107 ? -19.710 -1.833  9.672   1.000 14.344 0 219 LEU   A HD13 1 c 
ATOM   1876 H  HD21 . LEU   A 1 107 ? -19.050 1.064   11.711  1.000 14.654 0 219 LEU   A HD21 1 c 
ATOM   1877 H  HD22 . LEU   A 1 107 ? -19.868 0.621   10.425  1.000 14.686 0 219 LEU   A HD22 1 c 
ATOM   1878 H  HD23 . LEU   A 1 107 ? -18.282 0.658   10.383  1.000 14.672 0 219 LEU   A HD23 1 c 
ATOM   1879 N  N    A GLN   A 1 108 ? -20.842 -4.257  11.961  0.500 13.991 0 220 GLN   A N    1 ? 
ATOM   1880 N  N    B GLN   A 1 108 ? -20.819 -4.270  11.936  0.500 14.165 0 220 GLN   A N    1 ? 
ATOM   1881 C  CA   A GLN   A 1 108 ? -20.775 -5.370  11.026  0.500 14.197 0 220 GLN   A CA   1 ? 
ATOM   1882 C  CA   B GLN   A 1 108 ? -20.661 -5.384  11.013  0.500 14.601 0 220 GLN   A CA   1 ? 
ATOM   1883 C  C    A GLN   A 1 108 ? -21.223 -4.858  9.659   0.500 13.649 0 220 GLN   A C    1 ? 
ATOM   1884 C  C    B GLN   A 1 108 ? -21.295 -4.992  9.679   0.500 14.040 0 220 GLN   A C    1 ? 
ATOM   1885 O  O    A GLN   A 1 108 ? -22.045 -3.943  9.587   0.500 13.408 0 220 GLN   A O    1 ? 
ATOM   1886 O  O    B GLN   A 1 108 ? -22.328 -4.324  9.654   0.500 14.438 0 220 GLN   A O    1 ? 
ATOM   1887 C  CB   A GLN   A 1 108 ? -21.655 -6.524  11.513  0.500 15.213 0 220 GLN   A CB   1 ? 
ATOM   1888 C  CB   B GLN   A 1 108 ? -21.229 -6.683  11.588  0.500 15.900 0 220 GLN   A CB   1 ? 
ATOM   1889 C  CG   A GLN   A 1 108 ? -21.166 -7.151  12.814  0.500 16.254 0 220 GLN   A CG   1 ? 
ATOM   1890 C  CG   B GLN   A 1 108 ? -22.742 -6.826  11.474  0.500 16.692 0 220 GLN   A CG   1 ? 
ATOM   1891 C  CD   A GLN   A 1 108 ? -22.069 -8.243  13.344  0.500 17.525 0 220 GLN   A CD   1 ? 
ATOM   1892 C  CD   B GLN   A 1 108 ? -23.246 -8.125  12.064  0.500 17.829 0 220 GLN   A CD   1 ? 
ATOM   1893 O  OE1  A GLN   A 1 108 ? -21.781 -8.870  14.368  0.500 18.894 0 220 GLN   A OE1  1 ? 
ATOM   1894 O  OE1  B GLN   A 1 108 ? -22.532 -8.821  12.794  0.500 18.899 0 220 GLN   A OE1  1 ? 
ATOM   1895 N  NE2  A GLN   A 1 108 ? -23.175 -8.479  12.653  0.500 17.903 0 220 GLN   A NE2  1 ? 
ATOM   1896 N  NE2  B GLN   A 1 108 ? -24.489 -8.464  11.760  0.500 18.537 0 220 GLN   A NE2  1 ? 
ATOM   1897 H  H    A GLN   A 1 108 ? -21.660 -3.880  12.118  0.500 13.992 0 220 GLN   A H    1 c 
ATOM   1898 H  H    B GLN   A 1 108 ? -21.654 -3.919  12.062  0.500 14.161 0 220 GLN   A H    1 c 
ATOM   1899 H  HA   A GLN   A 1 108 ? -19.837 -5.678  10.966  0.500 14.199 0 220 GLN   A HA   1 c 
ATOM   1900 H  HA   B GLN   A 1 108 ? -19.694 -5.522  10.866  0.500 14.592 0 220 GLN   A HA   1 c 
ATOM   1901 H  HB2  A GLN   A 1 108 ? -22.567 -6.191  11.643  0.500 15.206 0 220 GLN   A HB2  1 c 
ATOM   1902 H  HB2  B GLN   A 1 108 ? -20.807 -7.437  11.126  0.500 15.767 0 220 GLN   A HB2  1 c 
ATOM   1903 H  HB3  A GLN   A 1 108 ? -21.685 -7.213  10.817  0.500 15.181 0 220 GLN   A HB3  1 c 
ATOM   1904 H  HB3  B GLN   A 1 108 ? -20.979 -6.739  12.534  0.500 15.769 0 220 GLN   A HB3  1 c 
ATOM   1905 H  HG2  A GLN   A 1 108 ? -20.271 -7.527  12.673  0.500 16.266 0 220 GLN   A HG2  1 c 
ATOM   1906 H  HG2  B GLN   A 1 108 ? -23.175 -6.076  11.934  0.500 16.760 0 220 GLN   A HG2  1 c 
ATOM   1907 H  HG3  A GLN   A 1 108 ? -21.089 -6.453  13.497  0.500 16.266 0 220 GLN   A HG3  1 c 
ATOM   1908 H  HG3  B GLN   A 1 108 ? -23.001 -6.785  10.529  0.500 16.802 0 220 GLN   A HG3  1 c 
ATOM   1909 H  HE21 A GLN   A 1 108 ? -23.350 -8.007  11.923  0.500 17.875 0 220 GLN   A HE21 1 c 
ATOM   1910 H  HE21 B GLN   A 1 108 ? -24.974 -7.940  11.233  0.500 18.462 0 220 GLN   A HE21 1 c 
ATOM   1911 H  HE22 A GLN   A 1 108 ? -23.738 -9.110  12.922  0.500 17.883 0 220 GLN   A HE22 1 c 
ATOM   1912 H  HE22 B GLN   A 1 108 ? -24.834 -9.215  12.082  0.500 18.443 0 220 GLN   A HE22 1 c 
ATOM   1913 N  N    . TYR   A 1 109 ? -20.656 -5.426  8.588   1.000 13.212 0 221 TYR   A N    1 ? 
ATOM   1914 C  CA   . TYR   A 1 109 ? -21.042 -5.079  7.225   1.000 13.029 0 221 TYR   A CA   1 ? 
ATOM   1915 C  C    . TYR   A 1 109 ? -21.198 -6.372  6.434   1.000 13.165 0 221 TYR   A C    1 ? 
ATOM   1916 O  O    . TYR   A 1 109 ? -20.208 -7.071  6.209   1.000 13.587 0 221 TYR   A O    1 ? 
ATOM   1917 C  CB   . TYR   A 1 109 ? -19.980 -4.172  6.598   1.000 12.871 0 221 TYR   A CB   1 ? 
ATOM   1918 C  CG   . TYR   A 1 109 ? -20.334 -3.609  5.231   1.000 12.671 0 221 TYR   A CG   1 ? 
ATOM   1919 C  CD1  . TYR   A 1 109 ? -21.055 -2.426  5.118   1.000 12.782 0 221 TYR   A CD1  1 ? 
ATOM   1920 C  CD2  . TYR   A 1 109 ? -19.962 -4.253  4.057   1.000 12.661 0 221 TYR   A CD2  1 ? 
ATOM   1921 C  CE1  . TYR   A 1 109 ? -21.377 -1.889  3.883   1.000 12.469 0 221 TYR   A CE1  1 ? 
ATOM   1922 C  CE2  . TYR   A 1 109 ? -20.280 -3.729  2.814   1.000 12.702 0 221 TYR   A CE2  1 ? 
ATOM   1923 C  CZ   . TYR   A 1 109 ? -20.985 -2.542  2.729   1.000 12.459 0 221 TYR   A CZ   1 ? 
ATOM   1924 O  OH   . TYR   A 1 109 ? -21.302 -2.008  1.517   1.000 12.750 0 221 TYR   A OH   1 ? 
ATOM   1925 H  H    . TYR   A 1 109 ? -19.961 -6.008  8.703   1.000 13.312 0 221 TYR   A H    1 c 
ATOM   1926 H  HA   . TYR   A 1 109 ? -21.911 -4.598  7.239   1.000 13.075 0 221 TYR   A HA   1 c 
ATOM   1927 H  HB2  . TYR   A 1 109 ? -19.812 -3.424  7.212   1.000 12.850 0 221 TYR   A HB2  1 c 
ATOM   1928 H  HB3  . TYR   A 1 109 ? -19.143 -4.683  6.521   1.000 12.859 0 221 TYR   A HB3  1 c 
ATOM   1929 H  HD1  . TYR   A 1 109 ? -21.318 -1.969  5.901   1.000 12.706 0 221 TYR   A HD1  1 c 
ATOM   1930 H  HD2  . TYR   A 1 109 ? -19.473 -5.060  4.107   1.000 12.645 0 221 TYR   A HD2  1 c 
ATOM   1931 H  HE1  . TYR   A 1 109 ? -21.860 -1.082  3.829   1.000 12.524 0 221 TYR   A HE1  1 c 
ATOM   1932 H  HE2  . TYR   A 1 109 ? -20.011 -4.175  2.029   1.000 12.646 0 221 TYR   A HE2  1 c 
ATOM   1933 H  HH   . TYR   A 1 109 ? -20.677 -1.472  1.261   0.000 12.725 0 221 TYR   A HH   1 c 
ATOM   1934 N  N    . ASN   A 1 110 ? -22.440 -6.679  6.035   1.000 13.707 0 222 ASN   A N    1 ? 
ATOM   1935 C  CA   . ASN   A 1 110 ? -22.735 -7.923  5.340   1.000 14.418 0 222 ASN   A CA   1 ? 
ATOM   1936 C  C    . ASN   A 1 110 ? -22.029 -7.950  3.985   1.000 13.663 0 222 ASN   A C    1 ? 
ATOM   1937 O  O    . ASN   A 1 110 ? -21.949 -6.926  3.305   1.000 14.258 0 222 ASN   A O    1 ? 
ATOM   1938 C  CB   . ASN   A 1 110 ? -24.239 -8.109  5.163   1.000 15.514 0 222 ASN   A CB   1 ? 
ATOM   1939 C  CG   . ASN   A 1 110 ? -24.975 -8.440  6.442   1.000 17.934 0 222 ASN   A CG   1 ? 
ATOM   1940 O  OD1  . ASN   A 1 110 ? -26.164 -8.126  6.564   1.000 20.919 0 222 ASN   A OD1  1 ? 
ATOM   1941 N  ND2  . ASN   A 1 110 ? -24.319 -9.083  7.395   1.000 17.980 0 222 ASN   A ND2  1 ? 
ATOM   1942 H  H    . ASN   A 1 110 ? -23.122 -6.094  6.199   1.000 13.713 0 222 ASN   A H    1 c 
ATOM   1943 H  HA   . ASN   A 1 110 ? -22.398 -8.667  5.883   1.000 14.348 0 222 ASN   A HA   1 c 
ATOM   1944 H  HB2  . ASN   A 1 110 ? -24.617 -7.288  4.788   1.000 15.608 0 222 ASN   A HB2  1 c 
ATOM   1945 H  HB3  . ASN   A 1 110 ? -24.394 -8.828  4.520   1.000 15.616 0 222 ASN   A HB3  1 c 
ATOM   1946 H  HD21 . ASN   A 1 110 ? -23.646 -9.625  7.191   1.000 17.770 0 222 ASN   A HD21 1 c 
ATOM   1947 H  HD22 . ASN   A 1 110 ? -24.568 -8.980  8.244   1.000 17.962 0 222 ASN   A HD22 1 c 
ATOM   1948 N  N    . HIS   A 1 111 ? -21.551 -9.139  3.587   1.000 13.111 0 223 HIS   A N    1 ? 
ATOM   1949 C  CA   . HIS   A 1 111 ? -20.871 -9.319  2.307   1.000 13.039 0 223 HIS   A CA   1 ? 
ATOM   1950 C  C    . HIS   A 1 111 ? -21.845 -9.092  1.154   1.000 13.480 0 223 HIS   A C    1 ? 
ATOM   1951 O  O    . HIS   A 1 111 ? -22.783 -9.866  0.988   1.000 14.469 0 223 HIS   A O    1 ? 
ATOM   1952 C  CB   . HIS   A 1 111 ? -20.257 -10.720 2.189   1.000 12.870 0 223 HIS   A CB   1 ? 
ATOM   1953 C  CG   . HIS   A 1 111 ? -19.159 -10.969 3.160   1.000 12.625 0 223 HIS   A CG   1 ? 
ATOM   1954 N  ND1  . HIS   A 1 111 ? -18.117 -10.087 3.349   1.000 12.744 0 223 HIS   A ND1  1 ? 
ATOM   1955 C  CD2  . HIS   A 1 111 ? -18.933 -12.000 3.985   1.000 12.859 0 223 HIS   A CD2  1 ? 
ATOM   1956 C  CE1  . HIS   A 1 111 ? -17.305 -10.571 4.278   1.000 12.932 0 223 HIS   A CE1  1 ? 
ATOM   1957 N  NE2  . HIS   A 1 111 ? -17.788 -11.731 4.685   1.000 12.979 0 223 HIS   A NE2  1 ? 
ATOM   1958 H  H    . HIS   A 1 111 ? -21.654 -9.863  4.135   1.000 13.198 0 223 HIS   A H    1 c 
ATOM   1959 H  HA   . HIS   A 1 111 ? -20.148 -8.647  2.245   1.000 13.060 0 223 HIS   A HA   1 c 
ATOM   1960 H  HB2  . HIS   A 1 111 ? -20.963 -11.386 2.329   1.000 12.854 0 223 HIS   A HB2  1 c 
ATOM   1961 H  HB3  . HIS   A 1 111 ? -19.910 -10.837 1.277   1.000 12.859 0 223 HIS   A HB3  1 c 
ATOM   1962 H  HD1  . HIS   A 1 111 ? -18.014 -9.331  2.904   0.000 12.683 0 223 HIS   A HD1  1 c 
ATOM   1963 H  HD2  . HIS   A 1 111 ? -19.473 -12.758 4.089   1.000 12.843 0 223 HIS   A HD2  1 c 
ATOM   1964 H  HE1  . HIS   A 1 111 ? -16.519 -10.158 4.591   1.000 12.930 0 223 HIS   A HE1  1 c 
ATOM   1965 H  HE2  . HIS   A 1 111 ? -17.434 -12.241 5.318   0.000 13.273 0 223 HIS   A HE2  1 c 
ATOM   1966 N  N    . ARG   A 1 112 ? -21.611 -8.028  0.379   1.000 13.107 0 224 ARG   A N    1 ? 
ATOM   1967 C  CA   . ARG   A 1 112 ? -22.310 -7.777  -0.874  1.000 13.463 0 224 ARG   A CA   1 ? 
ATOM   1968 C  C    . ARG   A 1 112 ? -21.566 -8.454  -2.022  1.000 14.212 0 224 ARG   A C    1 ? 
ATOM   1969 O  O    . ARG   A 1 112 ? -22.186 -9.077  -2.882  1.000 15.337 0 224 ARG   A O    1 ? 
ATOM   1970 C  CB   . ARG   A 1 112 ? -22.427 -6.267  -1.089  1.000 13.293 0 224 ARG   A CB   1 ? 
ATOM   1971 C  CG   . ARG   A 1 112 ? -23.239 -5.587  0.003   1.000 13.487 0 224 ARG   A CG   1 ? 
ATOM   1972 C  CD   . ARG   A 1 112 ? -23.526 -4.153  -0.358  1.000 13.629 0 224 ARG   A CD   1 ? 
ATOM   1973 N  NE   . ARG   A 1 112 ? -23.994 -3.384  0.797   1.000 13.497 0 224 ARG   A NE   1 ? 
ATOM   1974 C  CZ   . ARG   A 1 112 ? -24.143 -2.066  0.806   1.000 13.555 0 224 ARG   A CZ   1 ? 
ATOM   1975 N  NH1  . ARG   A 1 112 ? -23.923 -1.355  -0.288  1.000 13.812 0 224 ARG   A NH1  1 ? 
ATOM   1976 N  NH2  . ARG   A 1 112 ? -24.513 -1.465  1.921   1.000 14.096 0 224 ARG   A NH2  1 ? 
ATOM   1977 H  H    . ARG   A 1 112 ? -20.981 -7.424  0.650   1.000 13.206 0 224 ARG   A H    1 c 
ATOM   1978 H  HA   . ARG   A 1 112 ? -23.221 -8.164  -0.812  1.000 13.464 0 224 ARG   A HA   1 c 
ATOM   1979 H  HB2  . ARG   A 1 112 ? -21.528 -5.875  -1.111  1.000 13.339 0 224 ARG   A HB2  1 c 
ATOM   1980 H  HB3  . ARG   A 1 112 ? -22.852 -6.098  -1.957  1.000 13.315 0 224 ARG   A HB3  1 c 
ATOM   1981 H  HG2  . ARG   A 1 112 ? -24.087 -6.066  0.127   1.000 13.469 0 224 ARG   A HG2  1 c 
ATOM   1982 H  HG3  . ARG   A 1 112 ? -22.740 -5.614  0.848   1.000 13.474 0 224 ARG   A HG3  1 c 
ATOM   1983 H  HD2  . ARG   A 1 112 ? -22.713 -3.743  -0.712  1.000 13.606 0 224 ARG   A HD2  1 c 
ATOM   1984 H  HD3  . ARG   A 1 112 ? -24.209 -4.129  -1.059  1.000 13.630 0 224 ARG   A HD3  1 c 
ATOM   1985 H  HE   . ARG   A 1 112 ? -24.188 -3.820  1.526   1.000 13.524 0 224 ARG   A HE   1 c 
ATOM   1986 H  HH11 . ARG   A 1 112 ? -24.077 -0.484  -0.281  1.000 13.764 0 224 ARG   A HH11 1 c 
ATOM   1987 H  HH12 . ARG   A 1 112 ? -23.625 -1.741  -1.024  1.000 13.797 0 224 ARG   A HH12 1 c 
ATOM   1988 H  HH21 . ARG   A 1 112 ? -24.543 -0.582  1.957   1.000 13.966 0 224 ARG   A HH21 1 c 
ATOM   1989 H  HH22 . ARG   A 1 112 ? -24.732 -1.946  2.629   1.000 13.971 0 224 ARG   A HH22 1 c 
ATOM   1990 N  N    . VAL   A 1 113 ? -20.238 -8.288  -2.034  1.000 14.452 0 225 VAL   A N    1 ? 
ATOM   1991 C  CA   . VAL   A 1 113 ? -19.358 -9.064  -2.897  1.000 14.771 0 225 VAL   A CA   1 ? 
ATOM   1992 C  C    . VAL   A 1 113 ? -19.164 -10.436 -2.252  1.000 15.367 0 225 VAL   A C    1 ? 
ATOM   1993 O  O    . VAL   A 1 113 ? -18.731 -10.525 -1.103  1.000 16.242 0 225 VAL   A O    1 ? 
ATOM   1994 C  CB   . VAL   A 1 113 ? -18.023 -8.324  -3.113  1.000 14.892 0 225 VAL   A CB   1 ? 
ATOM   1995 C  CG1  . VAL   A 1 113 ? -17.010 -9.182  -3.854  1.000 15.177 0 225 VAL   A CG1  1 ? 
ATOM   1996 C  CG2  . VAL   A 1 113 ? -18.232 -6.999  -3.837  1.000 15.173 0 225 VAL   A CG2  1 ? 
ATOM   1997 H  H    . VAL   A 1 113 ? -19.867 -7.659  -1.485  1.000 14.456 0 225 VAL   A H    1 c 
ATOM   1998 H  HA   . VAL   A 1 113 ? -19.793 -9.179  -3.764  1.000 14.814 0 225 VAL   A HA   1 c 
ATOM   1999 H  HB   . VAL   A 1 113 ? -17.654 -8.125  -2.221  1.000 14.946 0 225 VAL   A HB   1 c 
ATOM   2000 H  HG11 . VAL   A 1 113 ? -17.378 -9.452  -4.712  1.000 15.133 0 225 VAL   A HG11 1 c 
ATOM   2001 H  HG12 . VAL   A 1 113 ? -16.802 -9.972  -3.327  1.000 15.126 0 225 VAL   A HG12 1 c 
ATOM   2002 H  HG13 . VAL   A 1 113 ? -16.196 -8.670  -3.999  1.000 15.162 0 225 VAL   A HG13 1 c 
ATOM   2003 H  HG21 . VAL   A 1 113 ? -17.374 -6.563  -3.970  1.000 15.125 0 225 VAL   A HG21 1 c 
ATOM   2004 H  HG22 . VAL   A 1 113 ? -18.808 -6.424  -3.305  1.000 15.122 0 225 VAL   A HG22 1 c 
ATOM   2005 H  HG23 . VAL   A 1 113 ? -18.648 -7.162  -4.700  1.000 15.132 0 225 VAL   A HG23 1 c 
ATOM   2006 N  N    . LYS   A 1 114 ? -19.506 -11.494 -2.996  1.000 16.370 0 226 LYS   A N    1 ? 
ATOM   2007 C  CA   . LYS   A 1 114 ? -19.554 -12.852 -2.468  1.000 17.268 0 226 LYS   A CA   1 ? 
ATOM   2008 C  C    . LYS   A 1 114 ? -18.197 -13.547 -2.602  1.000 17.365 0 226 LYS   A C    1 ? 
ATOM   2009 O  O    . LYS   A 1 114 ? -17.875 -14.419 -1.797  1.000 18.146 0 226 LYS   A O    1 ? 
ATOM   2010 C  CB   . LYS   A 1 114 ? -20.645 -13.635 -3.206  1.000 17.965 0 226 LYS   A CB   1 ? 
ATOM   2011 C  CG   . LYS   A 1 114 ? -22.013 -12.956 -3.265  1.000 18.507 0 226 LYS   A CG   1 ? 
ATOM   2012 C  CD   . LYS   A 1 114 ? -22.605 -12.562 -1.918  1.000 19.132 0 226 LYS   A CD   1 ? 
ATOM   2013 C  CE   . LYS   A 1 114 ? -23.960 -11.935 -2.024  1.000 18.731 0 226 LYS   A CE   1 ? 
ATOM   2014 N  NZ   . LYS   A 1 114 ? -24.472 -11.564 -0.701  1.000 18.703 0 226 LYS   A NZ   1 ? 
ATOM   2015 H  H    . LYS   A 1 114 ? -19.718 -11.362 -3.875  1.000 16.314 0 226 LYS   A H    1 c 
ATOM   2016 H  HA   . LYS   A 1 114 ? -19.791 -12.807 -1.507  1.000 17.244 0 226 LYS   A HA   1 c 
ATOM   2017 H  HB2  . LYS   A 1 114 ? -20.344 -13.799 -4.125  1.000 17.925 0 226 LYS   A HB2  1 c 
ATOM   2018 H  HB3  . LYS   A 1 114 ? -20.751 -14.506 -2.770  1.000 17.927 0 226 LYS   A HB3  1 c 
ATOM   2019 H  HG2  . LYS   A 1 114 ? -21.934 -12.150 -3.821  1.000 18.511 0 226 LYS   A HG2  1 c 
ATOM   2020 H  HG3  . LYS   A 1 114 ? -22.638 -13.564 -3.716  1.000 18.524 0 226 LYS   A HG3  1 c 
ATOM   2021 H  HD2  . LYS   A 1 114 ? -22.671 -13.364 -1.357  1.000 18.999 0 226 LYS   A HD2  1 c 
ATOM   2022 H  HD3  . LYS   A 1 114 ? -21.997 -11.932 -1.474  1.000 18.994 0 226 LYS   A HD3  1 c 
ATOM   2023 H  HE2  . LYS   A 1 114 ? -23.909 -11.137 -2.581  1.000 18.770 0 226 LYS   A HE2  1 c 
ATOM   2024 H  HE3  . LYS   A 1 114 ? -24.578 -12.560 -2.441  1.000 18.774 0 226 LYS   A HE3  1 c 
ATOM   2025 H  HZ1  . LYS   A 1 114 ? -23.898 -10.989 -0.298  1.000 18.717 0 226 LYS   A HZ1  1 c 
ATOM   2026 H  HZ2  . LYS   A 1 114 ? -24.559 -12.305 -0.191  1.000 18.738 0 226 LYS   A HZ2  1 c 
ATOM   2027 H  HZ3  . LYS   A 1 114 ? -25.281 -11.166 -0.786  1.000 18.736 0 226 LYS   A HZ3  1 c 
ATOM   2028 N  N    . LYS   A 1 115 ? -17.405 -13.168 -3.613  1.000 17.065 0 227 LYS   A N    1 ? 
ATOM   2029 C  CA   . LYS   A 1 115 ? -16.155 -13.858 -3.919  1.000 17.217 0 227 LYS   A CA   1 ? 
ATOM   2030 C  C    . LYS   A 1 115 ? -15.035 -13.341 -3.017  1.000 16.039 0 227 LYS   A C    1 ? 
ATOM   2031 O  O    . LYS   A 1 115 ? -14.182 -12.572 -3.466  1.000 16.114 0 227 LYS   A O    1 ? 
ATOM   2032 C  CB   . LYS   A 1 115 ? -15.796 -13.684 -5.399  1.000 18.372 0 227 LYS   A CB   1 ? 
ATOM   2033 C  CG   . LYS   A 1 115 ? -16.685 -14.458 -6.357  1.000 19.556 0 227 LYS   A CG   1 ? 
ATOM   2034 H  H    . LYS   A 1 115 ? -17.651 -12.458 -4.132  1.000 17.132 0 227 LYS   A H    1 c 
ATOM   2035 H  HA   . LYS   A 1 115 ? -16.282 -14.825 -3.743  1.000 17.151 0 227 LYS   A HA   1 c 
ATOM   2036 H  HB2  . LYS   A 1 115 ? -15.847 -12.732 -5.627  1.000 18.368 0 227 LYS   A HB2  1 c 
ATOM   2037 H  HB3  . LYS   A 1 115 ? -14.868 -13.973 -5.535  1.000 18.390 0 227 LYS   A HB3  1 c 
ATOM   2038 H  HG2  . LYS   A 1 115 ? -16.599 -15.415 -6.155  1.000 19.387 0 227 LYS   A HG2  1 c 
ATOM   2039 H  HG3  . LYS   A 1 115 ? -17.594 -14.189 -6.224  0.000 24.121 0 227 LYS   A HG3  1 c 
ATOM   2040 N  N    . LEU   A 1 116 ? -15.022 -13.804 -1.759  1.000 15.638 0 228 LEU   A N    1 ? 
ATOM   2041 C  CA   . LEU   A 1 116 ? -14.056 -13.352 -0.762  1.000 15.280 0 228 LEU   A CA   1 ? 
ATOM   2042 C  C    . LEU   A 1 116 ? -12.630 -13.626 -1.237  1.000 15.597 0 228 LEU   A C    1 ? 
ATOM   2043 O  O    . LEU   A 1 116 ? -11.742 -12.820 -0.973  1.000 15.120 0 228 LEU   A O    1 ? 
ATOM   2044 C  CB   . LEU   A 1 116 ? -14.278 -13.988 0.612   1.000 14.842 0 228 LEU   A CB   1 ? 
ATOM   2045 C  CG   . LEU   A 1 116 ? -15.589 -13.660 1.327   1.000 15.164 0 228 LEU   A CG   1 ? 
ATOM   2046 C  CD1  . LEU   A 1 116 ? -15.546 -14.254 2.720   1.000 15.220 0 228 LEU   A CD1  1 ? 
ATOM   2047 C  CD2  . LEU   A 1 116 ? -15.864 -12.171 1.394   1.000 15.586 0 228 LEU   A CD2  1 ? 
ATOM   2048 H  H    . LEU   A 1 116 ? -15.645 -14.425 -1.512  1.000 15.637 0 228 LEU   A H    1 c 
ATOM   2049 H  HA   . LEU   A 1 116 ? -14.154 -12.372 -0.675  1.000 15.265 0 228 LEU   A HA   1 c 
ATOM   2050 H  HB2  . LEU   A 1 116 ? -14.222 -14.966 0.507   1.000 14.954 0 228 LEU   A HB2  1 c 
ATOM   2051 H  HB3  . LEU   A 1 116 ? -13.533 -13.719 1.197   1.000 14.909 0 228 LEU   A HB3  1 c 
ATOM   2052 H  HG   . LEU   A 1 116 ? -16.331 -14.089 0.828   1.000 15.169 0 228 LEU   A HG   1 c 
ATOM   2053 H  HD11 . LEU   A 1 116 ? -15.421 -15.216 2.659   1.000 15.224 0 228 LEU   A HD11 1 c 
ATOM   2054 H  HD12 . LEU   A 1 116 ? -16.381 -14.065 3.180   1.000 15.221 0 228 LEU   A HD12 1 c 
ATOM   2055 H  HD13 . LEU   A 1 116 ? -14.808 -13.864 3.217   1.000 15.214 0 228 LEU   A HD13 1 c 
ATOM   2056 H  HD21 . LEU   A 1 116 ? -15.958 -11.816 0.494   1.000 15.532 0 228 LEU   A HD21 1 c 
ATOM   2057 H  HD22 . LEU   A 1 116 ? -15.128 -11.724 1.844   1.000 15.544 0 228 LEU   A HD22 1 c 
ATOM   2058 H  HD23 . LEU   A 1 116 ? -16.687 -12.016 1.887   1.000 15.566 0 228 LEU   A HD23 1 c 
ATOM   2059 N  N    . ASN   A 1 117 ? -12.420 -14.753 -1.930  1.000 16.900 0 229 ASN   A N    1 ? 
ATOM   2060 C  CA   . ASN   A 1 117 ? -11.076 -15.171 -2.318  1.000 17.705 0 229 ASN   A CA   1 ? 
ATOM   2061 C  C    . ASN   A 1 117 ? -10.573 -14.369 -3.523  1.000 17.453 0 229 ASN   A C    1 ? 
ATOM   2062 O  O    . ASN   A 1 117 ? -9.507  -14.682 -4.051  1.000 18.545 0 229 ASN   A O    1 ? 
ATOM   2063 C  CB   . ASN   A 1 117 ? -10.991 -16.682 -2.532  1.000 19.983 0 229 ASN   A CB   1 ? 
ATOM   2064 C  CG   . ASN   A 1 117 ? -11.726 -17.174 -3.757  1.000 21.821 0 229 ASN   A CG   1 ? 
ATOM   2065 O  OD1  . ASN   A 1 117 ? -12.496 -16.432 -4.375  1.000 23.255 0 229 ASN   A OD1  1 ? 
ATOM   2066 N  ND2  . ASN   A 1 117 ? -11.505 -18.429 -4.121  1.000 23.878 0 229 ASN   A ND2  1 ? 
ATOM   2067 H  H    . ASN   A 1 117 ? -13.129 -15.282 -2.158  1.000 16.774 0 229 ASN   A H    1 c 
ATOM   2068 H  HA   . ASN   A 1 117 ? -10.479 -14.967 -1.564  1.000 17.776 0 229 ASN   A HA   1 c 
ATOM   2069 H  HB2  . ASN   A 1 117 ? -10.050 -16.937 -2.608  1.000 19.900 0 229 ASN   A HB2  1 c 
ATOM   2070 H  HB3  . ASN   A 1 117 ? -11.358 -17.133 -1.745  1.000 19.858 0 229 ASN   A HB3  1 c 
ATOM   2071 H  HD21 . ASN   A 1 117 ? -10.948 -18.936 -3.652  1.000 23.500 0 229 ASN   A HD21 1 c 
ATOM   2072 H  HD22 . ASN   A 1 117 ? -11.914 -18.761 -4.835  1.000 23.509 0 229 ASN   A HD22 1 c 
ATOM   2073 N  N    . GLU   A 1 118 ? -11.321 -13.335 -3.941  1.000 16.128 0 230 GLU   A N    1 ? 
ATOM   2074 C  CA   . GLU   A 1 118 ? -10.890 -12.419 -4.991  1.000 15.326 0 230 GLU   A CA   1 ? 
ATOM   2075 C  C    . GLU   A 1 118 ? -10.768 -10.981 -4.470  1.000 13.832 0 230 GLU   A C    1 ? 
ATOM   2076 O  O    . GLU   A 1 118 ? -10.451 -10.079 -5.246  1.000 13.207 0 230 GLU   A O    1 ? 
ATOM   2077 C  CB   . GLU   A 1 118 ? -11.841 -12.485 -6.187  1.000 15.698 0 230 GLU   A CB   1 ? 
ATOM   2078 C  CG   . GLU   A 1 118 ? -11.802 -13.821 -6.923  1.000 17.237 0 230 GLU   A CG   1 ? 
ATOM   2079 C  CD   . GLU   A 1 118 ? -12.584 -13.871 -8.226  1.000 18.372 0 230 GLU   A CD   1 ? 
ATOM   2080 O  OE1  . GLU   A 1 118 ? -13.186 -12.846 -8.604  1.000 19.267 0 230 GLU   A OE1  1 ? 
ATOM   2081 O  OE2  . GLU   A 1 118 ? -12.587 -14.943 -8.871  1.000 20.791 0 230 GLU   A OE2  1 ? 
ATOM   2082 H  H    . GLU   A 1 118 ? -12.148 -13.214 -3.577  1.000 16.150 0 230 GLU   A H    1 c 
ATOM   2083 H  HA   . GLU   A 1 118 ? -9.995  -12.705 -5.304  1.000 15.291 0 230 GLU   A HA   1 c 
ATOM   2084 H  HB2  . GLU   A 1 118 ? -12.755 -12.326 -5.871  1.000 15.778 0 230 GLU   A HB2  1 c 
ATOM   2085 H  HB3  . GLU   A 1 118 ? -11.613 -11.768 -6.814  1.000 15.819 0 230 GLU   A HB3  1 c 
ATOM   2086 H  HG2  . GLU   A 1 118 ? -10.868 -14.048 -7.117  1.000 17.188 0 230 GLU   A HG2  1 c 
ATOM   2087 H  HG3  . GLU   A 1 118 ? -12.154 -14.518 -6.329  1.000 17.148 0 230 GLU   A HG3  1 c 
ATOM   2088 N  N    . ILE   A 1 119 ? -11.002 -10.766 -3.168  1.000 13.140 0 231 ILE   A N    1 ? 
ATOM   2089 C  CA   . ILE   A 1 119 ? -10.807 -9.461  -2.546  1.000 12.998 0 231 ILE   A CA   1 ? 
ATOM   2090 C  C    . ILE   A 1 119 ? -9.331  -9.362  -2.153  1.000 13.260 0 231 ILE   A C    1 ? 
ATOM   2091 O  O    . ILE   A 1 119 ? -8.955  -9.657  -1.018  1.000 13.671 0 231 ILE   A O    1 ? 
ATOM   2092 C  CB   . ILE   A 1 119 ? -11.774 -9.262  -1.359  1.000 13.376 0 231 ILE   A CB   1 ? 
ATOM   2093 C  CG1  . ILE   A 1 119 ? -13.237 -9.442  -1.794  1.000 13.309 0 231 ILE   A CG1  1 ? 
ATOM   2094 C  CG2  . ILE   A 1 119 ? -11.556 -7.904  -0.690  1.000 13.620 0 231 ILE   A CG2  1 ? 
ATOM   2095 C  CD1  . ILE   A 1 119 ? -14.235 -9.484  -0.651  1.000 13.409 0 231 ILE   A CD1  1 ? 
ATOM   2096 H  H    . ILE   A 1 119 ? -11.291 -11.458 -2.647  1.000 13.273 0 231 ILE   A H    1 c 
ATOM   2097 H  HA   . ILE   A 1 119 ? -11.000 -8.772  -3.209  1.000 13.097 0 231 ILE   A HA   1 c 
ATOM   2098 H  HB   . ILE   A 1 119 ? -11.576 -9.955  -0.697  1.000 13.338 0 231 ILE   A HB   1 c 
ATOM   2099 H  HG12 . ILE   A 1 119 ? -13.477 -8.704  -2.391  1.000 13.332 0 231 ILE   A HG12 1 c 
ATOM   2100 H  HG13 . ILE   A 1 119 ? -13.313 -10.274 -2.304  1.000 13.329 0 231 ILE   A HG13 1 c 
ATOM   2101 H  HG21 . ILE   A 1 119 ? -12.174 -7.803  0.053   1.000 13.584 0 231 ILE   A HG21 1 c 
ATOM   2102 H  HG22 . ILE   A 1 119 ? -11.712 -7.195  -1.336  1.000 13.583 0 231 ILE   A HG22 1 c 
ATOM   2103 H  HG23 . ILE   A 1 119 ? -10.646 -7.843  -0.358  1.000 13.602 0 231 ILE   A HG23 1 c 
ATOM   2104 H  HD11 . ILE   A 1 119 ? -13.998 -10.204 -0.037  1.000 13.403 0 231 ILE   A HD11 1 c 
ATOM   2105 H  HD12 . ILE   A 1 119 ? -15.129 -9.647  -1.008  1.000 13.391 0 231 ILE   A HD12 1 c 
ATOM   2106 H  HD13 . ILE   A 1 119 ? -14.230 -8.635  -0.172  1.000 13.401 0 231 ILE   A HD13 1 c 
ATOM   2107 N  N    . SER   A 1 120 ? -8.494  -8.957  -3.114  1.000 12.902 0 232 SER   A N    1 ? 
ATOM   2108 C  CA   . SER   A 1 120 ? -7.068  -9.247  -3.052  1.000 13.305 0 232 SER   A CA   1 ? 
ATOM   2109 C  C    . SER   A 1 120 ? -6.207  -8.015  -2.766  1.000 13.373 0 232 SER   A C    1 ? 
ATOM   2110 O  O    . SER   A 1 120 ? -4.984  -8.116  -2.828  1.000 13.726 0 232 SER   A O    1 ? 
ATOM   2111 C  CB   . SER   A 1 120 ? -6.626  -9.939  -4.315  1.000 14.024 0 232 SER   A CB   1 ? 
ATOM   2112 O  OG   . SER   A 1 120 ? -7.389  -11.120 -4.518  1.000 14.706 0 232 SER   A OG   1 ? 
ATOM   2113 H  H    . SER   A 1 120 ? -8.820  -8.490  -3.829  1.000 13.001 0 232 SER   A H    1 c 
ATOM   2114 H  HA   . SER   A 1 120 ? -6.928  -9.880  -2.307  1.000 13.354 0 232 SER   A HA   1 c 
ATOM   2115 H  HB2  . SER   A 1 120 ? -6.745  -9.337  -5.074  1.000 14.026 0 232 SER   A HB2  1 c 
ATOM   2116 H  HB3  . SER   A 1 120 ? -5.680  -10.168 -4.247  1.000 14.070 0 232 SER   A HB3  1 c 
ATOM   2117 H  HG   . SER   A 1 120 ? -7.134  -11.497 -5.235  0.000 15.641 0 232 SER   A HG   1 c 
ATOM   2118 N  N    A LYS   A 1 121 ? -6.829  -6.865  -2.486  0.500 13.380 0 233 LYS   A N    1 ? 
ATOM   2119 N  N    B LYS   A 1 121 ? -6.828  -6.901  -2.362  0.500 13.808 0 233 LYS   A N    1 ? 
ATOM   2120 C  CA   A LYS   A 1 121 ? -6.092  -5.673  -2.086  0.500 13.767 0 233 LYS   A CA   1 ? 
ATOM   2121 C  CA   B LYS   A 1 121 ? -6.117  -5.646  -2.142  0.500 14.385 0 233 LYS   A CA   1 ? 
ATOM   2122 C  C    A LYS   A 1 121 ? -6.874  -4.927  -1.011  0.500 13.250 0 233 LYS   A C    1 ? 
ATOM   2123 C  C    B LYS   A 1 121 ? -6.860  -4.817  -1.095  0.500 13.681 0 233 LYS   A C    1 ? 
ATOM   2124 O  O    A LYS   A 1 121 ? -8.105  -4.921  -1.025  0.500 13.094 0 233 LYS   A O    1 ? 
ATOM   2125 O  O    B LYS   A 1 121 ? -8.073  -4.642  -1.206  0.500 13.563 0 233 LYS   A O    1 ? 
ATOM   2126 C  CB   A LYS   A 1 121 ? -5.877  -4.681  -3.235  0.500 14.508 0 233 LYS   A CB   1 ? 
ATOM   2127 C  CB   B LYS   A 1 121 ? -6.050  -4.916  -3.490  0.500 15.497 0 233 LYS   A CB   1 ? 
ATOM   2128 C  CG   A LYS   A 1 121 ? -4.872  -5.090  -4.294  0.500 15.082 0 233 LYS   A CG   1 ? 
ATOM   2129 C  CG   B LYS   A 1 121 ? -4.918  -3.919  -3.689  0.500 16.394 0 233 LYS   A CG   1 ? 
ATOM   2130 C  CD   . LYS   A 1 121 ? -4.401  -3.904  -5.125  1.000 16.958 0 233 LYS   A CD   1 ? 
ATOM   2131 H  H    A LYS   A 1 121 ? -7.739  -6.818  -2.548  0.500 13.388 0 233 LYS   A H    1 c 
ATOM   2132 H  H    B LYS   A 1 121 ? -7.728  -6.924  -2.209  0.500 13.783 0 233 LYS   A H    1 c 
ATOM   2133 H  HA   A LYS   A 1 121 ? -5.216  -5.948  -1.715  0.500 13.744 0 233 LYS   A HA   1 c 
ATOM   2134 H  HA   B LYS   A 1 121 ? -5.203  -5.846  -1.816  0.500 14.362 0 233 LYS   A HA   1 c 
ATOM   2135 H  HB2  A LYS   A 1 121 ? -6.740  -4.528  -3.676  0.500 14.482 0 233 LYS   A HB2  1 c 
ATOM   2136 H  HB2  B LYS   A 1 121 ? -5.983  -5.591  -4.199  0.500 15.449 0 233 LYS   A HB2  1 c 
ATOM   2137 H  HB3  A LYS   A 1 121 ? -5.587  -3.825  -2.853  0.500 14.469 0 233 LYS   A HB3  1 c 
ATOM   2138 H  HB3  B LYS   A 1 121 ? -6.898  -4.440  -3.622  0.500 15.480 0 233 LYS   A HB3  1 c 
ATOM   2139 H  HG2  A LYS   A 1 121 ? -4.098  -5.505  -3.854  0.500 15.192 0 233 LYS   A HG2  1 c 
ATOM   2140 H  HG2  B LYS   A 1 121 ? -5.244  -3.022  -3.453  0.500 16.421 0 233 LYS   A HG2  1 c 
ATOM   2141 H  HG3  A LYS   A 1 121 ? -5.286  -5.755  -4.885  0.500 15.191 0 233 LYS   A HG3  1 c 
ATOM   2142 H  HG3  B LYS   A 1 121 ? -4.183  -4.148  -3.080  0.500 16.372 0 233 LYS   A HG3  1 c 
ATOM   2143 H  HD2  . LYS   A 1 121 ? -5.137  -3.608  -5.707  1.000 16.670 0 233 LYS   A HD2  1 c 
ATOM   2144 H  HD3  . LYS   A 1 121 ? -4.006  -3.224  -4.526  0.000 21.139 0 233 LYS   A HD3  1 c 
ATOM   2145 N  N    . LEU   A 1 122 ? -6.136  -4.308  -0.087  1.000 13.348 0 234 LEU   A N    1 ? 
ATOM   2146 C  CA   . LEU   A 1 122 ? -6.681  -3.348  0.864   1.000 13.523 0 234 LEU   A CA   1 ? 
ATOM   2147 C  C    . LEU   A 1 122 ? -5.966  -2.015  0.660   1.000 13.199 0 234 LEU   A C    1 ? 
ATOM   2148 O  O    . LEU   A 1 122 ? -4.772  -1.924  0.933   1.000 14.074 0 234 LEU   A O    1 ? 
ATOM   2149 C  CB   . LEU   A 1 122 ? -6.517  -3.835  2.304   1.000 14.206 0 234 LEU   A CB   1 ? 
ATOM   2150 C  CG   . LEU   A 1 122 ? -6.862  -2.814  3.393   1.000 14.755 0 234 LEU   A CG   1 ? 
ATOM   2151 C  CD1  . LEU   A 1 122 ? -8.304  -2.352  3.283   1.000 14.949 0 234 LEU   A CD1  1 ? 
ATOM   2152 C  CD2  . LEU   A 1 122 ? -6.598  -3.374  4.779   1.000 15.466 0 234 LEU   A CD2  1 ? 
ATOM   2153 H  H    . LEU   A 1 122 ? -5.255  -4.538  -0.010  1.000 13.358 0 234 LEU   A H    1 c 
ATOM   2154 H  HA   . LEU   A 1 122 ? -7.644  -3.224  0.675   1.000 13.557 0 234 LEU   A HA   1 c 
ATOM   2155 H  HB2  . LEU   A 1 122 ? -7.088  -4.627  2.427   1.000 14.170 0 234 LEU   A HB2  1 c 
ATOM   2156 H  HB3  . LEU   A 1 122 ? -5.581  -4.118  2.427   1.000 14.181 0 234 LEU   A HB3  1 c 
ATOM   2157 H  HG   . LEU   A 1 122 ? -6.278  -2.022  3.273   1.000 14.774 0 234 LEU   A HG   1 c 
ATOM   2158 H  HD11 . LEU   A 1 122 ? -8.443  -1.920  2.424   1.000 14.911 0 234 LEU   A HD11 1 c 
ATOM   2159 H  HD12 . LEU   A 1 122 ? -8.496  -1.721  3.996   1.000 14.915 0 234 LEU   A HD12 1 c 
ATOM   2160 H  HD13 . LEU   A 1 122 ? -8.897  -3.118  3.360   1.000 14.919 0 234 LEU   A HD13 1 c 
ATOM   2161 H  HD21 . LEU   A 1 122 ? -5.659  -3.613  4.859   1.000 15.414 0 234 LEU   A HD21 1 c 
ATOM   2162 H  HD22 . LEU   A 1 122 ? -7.146  -4.165  4.919   1.000 15.376 0 234 LEU   A HD22 1 c 
ATOM   2163 H  HD23 . LEU   A 1 122 ? -6.819  -2.705  5.448   1.000 15.367 0 234 LEU   A HD23 1 c 
ATOM   2164 N  N    . GLY   A 1 123 ? -6.681  -0.996  0.177   1.000 12.831 0 235 GLY   A N    1 ? 
ATOM   2165 C  CA   . GLY   A 1 123 ? -6.169  0.364   0.116   1.000 12.940 0 235 GLY   A CA   1 ? 
ATOM   2166 C  C    . GLY   A 1 123 ? -6.429  1.098   1.427   1.000 13.085 0 235 GLY   A C    1 ? 
ATOM   2167 O  O    . GLY   A 1 123 ? -7.532  1.008   1.976   1.000 13.557 0 235 GLY   A O    1 ? 
ATOM   2168 H  H    . GLY   A 1 123 ? -7.526  -1.158  -0.131  1.000 12.912 0 235 GLY   A H    1 c 
ATOM   2169 H  HA2  . GLY   A 1 123 ? -5.201  0.342   -0.071  1.000 12.965 0 235 GLY   A HA2  1 c 
ATOM   2170 H  HA3  . GLY   A 1 123 ? -6.611  0.843   -0.624  1.000 12.923 0 235 GLY   A HA3  1 c 
ATOM   2171 N  N    . ILE   A 1 124 ? -5.410  1.812   1.915   1.000 13.505 0 236 ILE   A N    1 ? 
ATOM   2172 C  CA   . ILE   A 1 124 ? -5.488  2.610   3.130   1.000 13.781 0 236 ILE   A CA   1 ? 
ATOM   2173 C  C    . ILE   A 1 124 ? -5.130  4.043   2.742   1.000 14.054 0 236 ILE   A C    1 ? 
ATOM   2174 O  O    . ILE   A 1 124 ? -4.038  4.275   2.225   1.000 14.635 0 236 ILE   A O    1 ? 
ATOM   2175 C  CB   . ILE   A 1 124 ? -4.530  2.049   4.201   1.000 14.323 0 236 ILE   A CB   1 ? 
ATOM   2176 C  CG1  . ILE   A 1 124 ? -4.799  0.571   4.483   1.000 15.155 0 236 ILE   A CG1  1 ? 
ATOM   2177 C  CG2  . ILE   A 1 124 ? -4.575  2.885   5.479   1.000 14.422 0 236 ILE   A CG2  1 ? 
ATOM   2178 C  CD1  . ILE   A 1 124 ? -3.737  -0.120  5.312   1.000 15.962 0 236 ILE   A CD1  1 ? 
ATOM   2179 H  H    . ILE   A 1 124 ? -4.618  1.799   1.460   1.000 13.459 0 236 ILE   A H    1 c 
ATOM   2180 H  HA   . ILE   A 1 124 ? -6.402  2.585   3.473   1.000 13.785 0 236 ILE   A HA   1 c 
ATOM   2181 H  HB   . ILE   A 1 124 ? -3.623  2.113   3.841   1.000 14.362 0 236 ILE   A HB   1 c 
ATOM   2182 H  HG12 . ILE   A 1 124 ? -5.656  0.494   4.949   1.000 15.109 0 236 ILE   A HG12 1 c 
ATOM   2183 H  HG13 . ILE   A 1 124 ? -4.882  0.098   3.630   1.000 15.108 0 236 ILE   A HG13 1 c 
ATOM   2184 H  HG21 . ILE   A 1 124 ? -3.961  2.514   6.134   1.000 14.431 0 236 ILE   A HG21 1 c 
ATOM   2185 H  HG22 . ILE   A 1 124 ? -5.476  2.877   5.842   1.000 14.388 0 236 ILE   A HG22 1 c 
ATOM   2186 H  HG23 . ILE   A 1 124 ? -4.315  3.800   5.280   1.000 14.412 0 236 ILE   A HG23 1 c 
ATOM   2187 H  HD11 . ILE   A 1 124 ? -2.875  -0.049  4.860   1.000 15.926 0 236 ILE   A HD11 1 c 
ATOM   2188 H  HD12 . ILE   A 1 124 ? -3.969  -1.062  5.418   1.000 15.827 0 236 ILE   A HD12 1 c 
ATOM   2189 H  HD13 . ILE   A 1 124 ? -3.676  0.297   6.192   1.000 15.819 0 236 ILE   A HD13 1 c 
ATOM   2190 N  N    . SER   A 1 125 ? -6.038  4.993   2.990   1.000 14.067 0 237 SER   A N    1 ? 
ATOM   2191 C  CA   . SER   A 1 125 ? -5.846  6.373   2.567   1.000 14.771 0 237 SER   A CA   1 ? 
ATOM   2192 C  C    . SER   A 1 125 ? -6.454  7.330   3.586   1.000 14.384 0 237 SER   A C    1 ? 
ATOM   2193 O  O    . SER   A 1 125 ? -7.171  6.904   4.495   1.000 14.313 0 237 SER   A O    1 ? 
ATOM   2194 C  CB   . SER   A 1 125 ? -6.400  6.613   1.179   1.000 16.139 0 237 SER   A CB   1 ? 
ATOM   2195 O  OG   . SER   A 1 125 ? -7.790  6.336   1.115   1.000 16.846 0 237 SER   A OG   1 ? 
ATOM   2196 H  H    . SER   A 1 125 ? -6.803  4.773   3.439   1.000 14.051 0 237 SER   A H    1 c 
ATOM   2197 H  HA   . SER   A 1 125 ? -4.871  6.549   2.536   1.000 14.763 0 237 SER   A HA   1 c 
ATOM   2198 H  HB2  . SER   A 1 125 ? -6.245  7.543   0.927   1.000 15.984 0 237 SER   A HB2  1 c 
ATOM   2199 H  HB3  . SER   A 1 125 ? -5.929  6.043   0.542   1.000 16.000 0 237 SER   A HB3  1 c 
ATOM   2200 H  HG   . SER   A 1 125 ? -8.057  6.480   0.316   0.000 18.371 0 237 SER   A HG   1 c 
ATOM   2201 N  N    . GLY   A 1 126 ? -6.132  8.618   3.432   1.000 14.524 0 238 GLY   A N    1 ? 
ATOM   2202 C  CA   . GLY   A 1 126 ? -6.743  9.672   4.226   1.000 14.740 0 238 GLY   A CA   1 ? 
ATOM   2203 C  C    . GLY   A 1 126 ? -5.791  10.211  5.284   1.000 15.000 0 238 GLY   A C    1 ? 
ATOM   2204 O  O    . GLY   A 1 126 ? -4.577  10.057  5.172   1.000 15.085 0 238 GLY   A O    1 ? 
ATOM   2205 H  H    . GLY   A 1 126 ? -5.506  8.847   2.807   1.000 14.520 0 238 GLY   A H    1 c 
ATOM   2206 H  HA2  . GLY   A 1 126 ? -7.012  10.408  3.630   1.000 14.792 0 238 GLY   A HA2  1 c 
ATOM   2207 H  HA3  . GLY   A 1 126 ? -7.557  9.324   4.660   1.000 14.759 0 238 GLY   A HA3  1 c 
ATOM   2208 N  N    . ASP   A 1 127 ? -6.369  10.810  6.326   1.000 14.625 0 239 ASP   A N    1 ? 
ATOM   2209 C  CA   . ASP   A 1 127 ? -5.666  11.739  7.198   1.000 15.394 0 239 ASP   A CA   1 ? 
ATOM   2210 C  C    . ASP   A 1 127 ? -5.096  10.980  8.393   1.000 15.154 0 239 ASP   A C    1 ? 
ATOM   2211 O  O    . ASP   A 1 127 ? -5.467  11.240  9.537   1.000 15.500 0 239 ASP   A O    1 ? 
ATOM   2212 C  CB   . ASP   A 1 127 ? -6.575  12.914  7.532   1.000 16.458 0 239 ASP   A CB   1 ? 
ATOM   2213 C  CG   . ASP   A 1 127 ? -7.073  13.676  6.310   1.000 17.236 0 239 ASP   A CG   1 ? 
ATOM   2214 O  OD1  . ASP   A 1 127 ? -6.297  13.793  5.337   1.000 18.602 0 239 ASP   A OD1  1 ? 
ATOM   2215 O  OD2  . ASP   A 1 127 ? -8.226  14.153  6.338   1.000 17.927 0 239 ASP   A OD2  1 ? 
ATOM   2216 H  H    . ASP   A 1 127 ? -7.247  10.627  6.504   1.000 14.654 0 239 ASP   A H    1 c 
ATOM   2217 H  HA   . ASP   A 1 127 ? -4.911  12.116  6.693   1.000 15.396 0 239 ASP   A HA   1 c 
ATOM   2218 H  HB2  . ASP   A 1 127 ? -7.354  12.581  8.025   1.000 16.426 0 239 ASP   A HB2  1 c 
ATOM   2219 H  HB3  . ASP   A 1 127 ? -6.093  13.538  8.114   1.000 16.413 0 239 ASP   A HB3  1 c 
ATOM   2220 N  N    . ILE   A 1 128 ? -4.178  10.048  8.105   1.000 15.034 0 240 ILE   A N    1 ? 
ATOM   2221 C  CA   . ILE   A 1 128 ? -3.521  9.249   9.130   1.000 14.715 0 240 ILE   A CA   1 ? 
ATOM   2222 C  C    . ILE   A 1 128 ? -2.018  9.212   8.875   1.000 14.673 0 240 ILE   A C    1 ? 
ATOM   2223 O  O    . ILE   A 1 128 ? -1.558  9.376   7.742   1.000 14.910 0 240 ILE   A O    1 ? 
ATOM   2224 C  CB   . ILE   A 1 128 ? -4.075  7.813   9.194   1.000 14.762 0 240 ILE   A CB   1 ? 
ATOM   2225 C  CG1  . ILE   A 1 128 ? -3.816  7.033   7.903   1.000 15.272 0 240 ILE   A CG1  1 ? 
ATOM   2226 C  CG2  . ILE   A 1 128 ? -5.556  7.821   9.566   1.000 14.947 0 240 ILE   A CG2  1 ? 
ATOM   2227 C  CD1  . ILE   A 1 128 ? -4.098  5.547   8.016   1.000 15.392 0 240 ILE   A CD1  1 ? 
ATOM   2228 H  H    . ILE   A 1 128 ? -3.948  9.911   7.232   1.000 14.991 0 240 ILE   A H    1 c 
ATOM   2229 H  HA   . ILE   A 1 128 ? -3.675  9.672   9.996   1.000 14.749 0 240 ILE   A HA   1 c 
ATOM   2230 H  HB   . ILE   A 1 128 ? -3.597  7.350   9.910   1.000 14.842 0 240 ILE   A HB   1 c 
ATOM   2231 H  HG12 . ILE   A 1 128 ? -4.376  7.406   7.192   1.000 15.219 0 240 ILE   A HG12 1 c 
ATOM   2232 H  HG13 . ILE   A 1 128 ? -2.881  7.153   7.642   1.000 15.263 0 240 ILE   A HG13 1 c 
ATOM   2233 H  HG21 . ILE   A 1 128 ? -5.882  6.908   9.634   1.000 14.934 0 240 ILE   A HG21 1 c 
ATOM   2234 H  HG22 . ILE   A 1 128 ? -6.060  8.292   8.883   1.000 14.935 0 240 ILE   A HG22 1 c 
ATOM   2235 H  HG23 . ILE   A 1 128 ? -5.674  8.269   10.420  1.000 14.933 0 240 ILE   A HG23 1 c 
ATOM   2236 H  HD11 . ILE   A 1 128 ? -3.551  5.164   8.728   1.000 15.380 0 240 ILE   A HD11 1 c 
ATOM   2237 H  HD12 . ILE   A 1 128 ? -3.878  5.112   7.170   1.000 15.371 0 240 ILE   A HD12 1 c 
ATOM   2238 H  HD13 . ILE   A 1 128 ? -5.041  5.400   8.218   1.000 15.387 0 240 ILE   A HD13 1 c 
ATOM   2239 N  N    . ASP   A 1 129 ? -1.283  8.980   9.967   1.000 14.800 0 241 ASP   A N    1 ? 
ATOM   2240 C  CA   . ASP   A 1 129 ? 0.073   8.451   9.928   1.000 15.501 0 241 ASP   A CA   1 ? 
ATOM   2241 C  C    . ASP   A 1 129 ? -0.025  6.941   10.132  1.000 14.995 0 241 ASP   A C    1 ? 
ATOM   2242 O  O    . ASP   A 1 129 ? -0.437  6.504   11.204  1.000 16.710 0 241 ASP   A O    1 ? 
ATOM   2243 C  CB   . ASP   A 1 129 ? 0.939   9.095   11.001  1.000 17.585 0 241 ASP   A CB   1 ? 
ATOM   2244 C  CG   . ASP   A 1 129 ? 1.129   10.597  10.860  1.000 20.572 0 241 ASP   A CG   1 ? 
ATOM   2245 O  OD1  . ASP   A 1 129 ? 1.395   11.047  9.726   1.000 23.020 0 241 ASP   A OD1  1 ? 
ATOM   2246 O  OD2  . ASP   A 1 129 ? 1.017   11.302  11.885  1.000 24.005 0 241 ASP   A OD2  1 ? 
ATOM   2247 H  H    . ASP   A 1 129 ? -1.649  9.167   10.782  1.000 14.844 0 241 ASP   A H    1 c 
ATOM   2248 H  HA   . ASP   A 1 129 ? 0.464   8.638   9.045   1.000 15.522 0 241 ASP   A HA   1 c 
ATOM   2249 H  HB2  . ASP   A 1 129 ? 0.536   8.919   11.877  1.000 17.599 0 241 ASP   A HB2  1 c 
ATOM   2250 H  HB3  . ASP   A 1 129 ? 1.823   8.671   10.988  1.000 17.622 0 241 ASP   A HB3  1 c 
ATOM   2251 N  N    . LEU   A 1 130 ? 0.302   6.157   9.098   1.000 14.478 0 242 LEU   A N    1 ? 
ATOM   2252 C  CA   . LEU   A 1 130 ? 0.163   4.706   9.137   1.000 14.251 0 242 LEU   A CA   1 ? 
ATOM   2253 C  C    . LEU   A 1 130 ? 1.400   4.088   9.789   1.000 14.694 0 242 LEU   A C    1 ? 
ATOM   2254 O  O    . LEU   A 1 130 ? 2.523   4.311   9.331   1.000 15.227 0 242 LEU   A O    1 ? 
ATOM   2255 C  CB   . LEU   A 1 130 ? -0.057  4.185   7.716   1.000 14.154 0 242 LEU   A CB   1 ? 
ATOM   2256 C  CG   . LEU   A 1 130 ? -0.231  2.669   7.568   1.000 14.274 0 242 LEU   A CG   1 ? 
ATOM   2257 C  CD1  . LEU   A 1 130 ? -1.461  2.196   8.318   1.000 14.266 0 242 LEU   A CD1  1 ? 
ATOM   2258 C  CD2  . LEU   A 1 130 ? -0.312  2.261   6.110   1.000 14.413 0 242 LEU   A CD2  1 ? 
ATOM   2259 H  H    . LEU   A 1 130 ? 0.627   6.544   8.337   1.000 14.509 0 242 LEU   A H    1 c 
ATOM   2260 H  HA   . LEU   A 1 130 ? -0.631  4.487   9.687   1.000 14.262 0 242 LEU   A HA   1 c 
ATOM   2261 H  HB2  . LEU   A 1 130 ? -0.856  4.626   7.348   1.000 14.175 0 242 LEU   A HB2  1 c 
ATOM   2262 H  HB3  . LEU   A 1 130 ? 0.712   4.462   7.166   1.000 14.169 0 242 LEU   A HB3  1 c 
ATOM   2263 H  HG   . LEU   A 1 130 ? 0.562   2.225   7.966   1.000 14.266 0 242 LEU   A HG   1 c 
ATOM   2264 H  HD11 . LEU   A 1 130 ? -1.364  2.395   9.263   1.000 14.248 0 242 LEU   A HD11 1 c 
ATOM   2265 H  HD12 . LEU   A 1 130 ? -1.563  1.236   8.200   1.000 14.254 0 242 LEU   A HD12 1 c 
ATOM   2266 H  HD13 . LEU   A 1 130 ? -2.248  2.649   7.971   1.000 14.250 0 242 LEU   A HD13 1 c 
ATOM   2267 H  HD21 . LEU   A 1 130 ? 0.501   2.528   5.651   1.000 14.385 0 242 LEU   A HD21 1 c 
ATOM   2268 H  HD22 . LEU   A 1 130 ? -1.075  2.694   5.693   1.000 14.368 0 242 LEU   A HD22 1 c 
ATOM   2269 H  HD23 . LEU   A 1 130 ? -0.415  1.296   6.048   1.000 14.377 0 242 LEU   A HD23 1 c 
ATOM   2270 N  N    . THR   A 1 131 ? 1.184   3.307   10.856  1.000 14.653 0 243 THR   A N    1 ? 
ATOM   2271 C  CA   . THR   A 1 131 ? 2.257   2.641   11.586  1.000 16.119 0 243 THR   A CA   1 ? 
ATOM   2272 C  C    . THR   A 1 131 ? 2.484   1.243   11.012  1.000 15.809 0 243 THR   A C    1 ? 
ATOM   2273 O  O    . THR   A 1 131 ? 3.628   0.866   10.751  1.000 16.738 0 243 THR   A O    1 ? 
ATOM   2274 C  CB   . THR   A 1 131 ? 1.928   2.605   13.079  1.000 17.620 0 243 THR   A CB   1 ? 
ATOM   2275 O  OG1  . THR   A 1 131 ? 1.820   3.972   13.469  1.000 19.202 0 243 THR   A OG1  1 ? 
ATOM   2276 C  CG2  . THR   A 1 131 ? 2.996   1.915   13.908  1.000 18.438 0 243 THR   A CG2  1 ? 
ATOM   2277 H  H    . THR   A 1 131 ? 0.324   3.185   11.142  1.000 14.710 0 243 THR   A H    1 c 
ATOM   2278 H  HA   . THR   A 1 131 ? 3.080   3.164   11.470  1.000 16.085 0 243 THR   A HA   1 c 
ATOM   2279 H  HB   . THR   A 1 131 ? 1.062   2.155   13.222  1.000 17.674 0 243 THR   A HB   1 c 
ATOM   2280 H  HG1  . THR   A 1 131 ? 2.570   4.392   13.347  0.000 21.005 0 243 THR   A HG1  1 c 
ATOM   2281 H  HG21 . THR   A 1 131 ? 2.756   1.961   14.849  1.000 18.334 0 243 THR   A HG21 1 c 
ATOM   2282 H  HG22 . THR   A 1 131 ? 3.851   2.356   13.771  1.000 18.345 0 243 THR   A HG22 1 c 
ATOM   2283 H  HG23 . THR   A 1 131 ? 3.066   0.983   13.640  1.000 18.306 0 243 THR   A HG23 1 c 
ATOM   2284 N  N    . SER   A 1 132 ? 1.402   0.472   10.841  1.000 15.692 0 244 SER   A N    1 ? 
ATOM   2285 C  CA   . SER   A 1 132 ? 1.499   -0.865  10.269  1.000 15.725 0 244 SER   A CA   1 ? 
ATOM   2286 C  C    . SER   A 1 132 ? 0.144   -1.339  9.745   1.000 14.783 0 244 SER   A C    1 ? 
ATOM   2287 O  O    . SER   A 1 132 ? -0.913  -0.868  10.174  1.000 14.414 0 244 SER   A O    1 ? 
ATOM   2288 C  CB   . SER   A 1 132 ? 2.063   -1.855  11.257  1.000 17.232 0 244 SER   A CB   1 ? 
ATOM   2289 O  OG   . SER   A 1 132 ? 1.179   -2.043  12.349  1.000 18.296 0 244 SER   A OG   1 ? 
ATOM   2290 H  H    . SER   A 1 132 ? 0.582   0.787   11.092  1.000 15.710 0 244 SER   A H    1 c 
ATOM   2291 H  HA   . SER   A 1 132 ? 2.120   -0.818  9.498   1.000 15.783 0 244 SER   A HA   1 c 
ATOM   2292 H  HB2  . SER   A 1 132 ? 2.210   -2.710  10.809  1.000 17.144 0 244 SER   A HB2  1 c 
ATOM   2293 H  HB3  . SER   A 1 132 ? 2.922   -1.532  11.586  1.000 17.148 0 244 SER   A HB3  1 c 
ATOM   2294 H  HG   . SER   A 1 132 ? 1.519   -2.601  12.886  0.000 19.963 0 244 SER   A HG   1 c 
ATOM   2295 N  N    . ALA   A 1 133 ? 0.207   -2.286  8.807   1.000 14.776 0 245 ALA   A N    1 ? 
ATOM   2296 C  CA   . ALA   A 1 133 ? -0.962  -2.953  8.251   1.000 15.093 0 245 ALA   A CA   1 ? 
ATOM   2297 C  C    . ALA   A 1 133 ? -0.593  -4.415  8.016   1.000 15.435 0 245 ALA   A C    1 ? 
ATOM   2298 O  O    . ALA   A 1 133 ? 0.319   -4.697  7.245   1.000 16.414 0 245 ALA   A O    1 ? 
ATOM   2299 C  CB   . ALA   A 1 133 ? -1.397  -2.269  6.973   1.000 15.939 0 245 ALA   A CB   1 ? 
ATOM   2300 H  H    . ALA   A 1 133 ? 1.030   -2.529  8.495   1.000 14.789 0 245 ALA   A H    1 c 
ATOM   2301 H  HA   . ALA   A 1 133 ? -1.701  -2.911  8.917   1.000 15.185 0 245 ALA   A HA   1 c 
ATOM   2302 H  HB1  . ALA   A 1 133 ? -1.620  -1.341  7.157   1.000 15.803 0 245 ALA   A HB1  1 c 
ATOM   2303 H  HB2  . ALA   A 1 133 ? -0.676  -2.302  6.322   1.000 15.856 0 245 ALA   A HB2  1 c 
ATOM   2304 H  HB3  . ALA   A 1 133 ? -2.178  -2.720  6.610   1.000 15.853 0 245 ALA   A HB3  1 c 
ATOM   2305 N  N    . SER   A 1 134 ? -1.272  -5.329  8.715   1.000 15.763 0 246 SER   A N    1 ? 
ATOM   2306 C  CA   . SER   A 1 134 ? -0.926  -6.744  8.685   1.000 16.471 0 246 SER   A CA   1 ? 
ATOM   2307 C  C    . SER   A 1 134 ? -2.176  -7.571  8.956   1.000 16.483 0 246 SER   A C    1 ? 
ATOM   2308 O  O    . SER   A 1 134 ? -3.223  -7.018  9.288   1.000 16.613 0 246 SER   A O    1 ? 
ATOM   2309 C  CB   . SER   A 1 134 ? 0.162   -7.058  9.685   1.000 17.701 0 246 SER   A CB   1 ? 
ATOM   2310 O  OG   . SER   A 1 134 ? -0.277  -6.782  11.007  1.000 18.875 0 246 SER   A OG   1 ? 
ATOM   2311 H  H    . SER   A 1 134 ? -1.978  -5.061  9.229   1.000 15.786 0 246 SER   A H    1 c 
ATOM   2312 H  HA   . SER   A 1 134 ? -0.596  -6.967  7.778   1.000 16.488 0 246 SER   A HA   1 c 
ATOM   2313 H  HB2  . SER   A 1 134 ? 0.407   -8.000  9.612   1.000 17.677 0 246 SER   A HB2  1 c 
ATOM   2314 H  HB3  . SER   A 1 134 ? 0.951   -6.520  9.485   1.000 17.690 0 246 SER   A HB3  1 c 
ATOM   2315 H  HG   . SER   A 1 134 ? 0.341   -6.969  11.552  0.000 21.013 0 246 SER   A HG   1 c 
ATOM   2316 N  N    . TYR   A 1 135 ? -2.053  -8.893  8.822   1.000 17.325 0 247 TYR   A N    1 ? 
ATOM   2317 C  CA   . TYR   A 1 135 ? -3.153  -9.792  9.137   1.000 17.801 0 247 TYR   A CA   1 ? 
ATOM   2318 C  C    . TYR   A 1 135 ? -2.613  -11.091 9.728   1.000 17.612 0 247 TYR   A C    1 ? 
ATOM   2319 O  O    . TYR   A 1 135 ? -1.433  -11.410 9.572   1.000 18.055 0 247 TYR   A O    1 ? 
ATOM   2320 C  CB   . TYR   A 1 135 ? -4.029  -10.049 7.904   1.000 19.108 0 247 TYR   A CB   1 ? 
ATOM   2321 C  CG   . TYR   A 1 135 ? -3.267  -10.523 6.677   1.000 20.646 0 247 TYR   A CG   1 ? 
ATOM   2322 C  CD1  . TYR   A 1 135 ? -2.906  -11.857 6.529   1.000 22.312 0 247 TYR   A CD1  1 ? 
ATOM   2323 C  CD2  . TYR   A 1 135 ? -2.910  -9.637  5.667   1.000 21.254 0 247 TYR   A CD2  1 ? 
ATOM   2324 C  CE1  . TYR   A 1 135 ? -2.211  -12.296 5.415   1.000 23.216 0 247 TYR   A CE1  1 ? 
ATOM   2325 C  CE2  . TYR   A 1 135 ? -2.216  -10.064 4.546   1.000 23.080 0 247 TYR   A CE2  1 ? 
ATOM   2326 C  CZ   . TYR   A 1 135 ? -1.863  -11.397 4.422   1.000 23.863 0 247 TYR   A CZ   1 ? 
ATOM   2327 O  OH   . TYR   A 1 135 ? -1.174  -11.826 3.327   1.000 26.489 0 247 TYR   A OH   1 ? 
ATOM   2328 H  H    . TYR   A 1 135 ? -1.265  -9.245  8.521   1.000 17.238 0 247 TYR   A H    1 c 
ATOM   2329 H  HA   . TYR   A 1 135 ? -3.718  -9.354  9.824   1.000 17.847 0 247 TYR   A HA   1 c 
ATOM   2330 H  HB2  . TYR   A 1 135 ? -4.704  -10.725 8.138   1.000 19.089 0 247 TYR   A HB2  1 c 
ATOM   2331 H  HB3  . TYR   A 1 135 ? -4.504  -9.218  7.681   1.000 19.093 0 247 TYR   A HB3  1 c 
ATOM   2332 H  HD1  . TYR   A 1 135 ? -3.138  -12.477 7.202   1.000 22.122 0 247 TYR   A HD1  1 c 
ATOM   2333 H  HD2  . TYR   A 1 135 ? -3.145  -8.727  5.745   1.000 21.362 0 247 TYR   A HD2  1 c 
ATOM   2334 H  HE1  . TYR   A 1 135 ? -1.972  -13.203 5.333   1.000 23.183 0 247 TYR   A HE1  1 c 
ATOM   2335 H  HE2  . TYR   A 1 135 ? -1.979  -9.449  3.873   1.000 22.923 0 247 TYR   A HE2  1 c 
ATOM   2336 H  HH   . TYR   A 1 135 ? -1.696  -12.077 2.716   0.000 33.249 0 247 TYR   A HH   1 c 
ATOM   2337 N  N    . THR   A 1 136 ? -3.499  -11.806 10.430  1.000 18.697 0 248 THR   A N    1 ? 
ATOM   2338 C  CA   . THR   A 1 136 ? -3.243  -13.139 10.956  1.000 19.781 0 248 THR   A CA   1 ? 
ATOM   2339 C  C    . THR   A 1 136 ? -4.541  -13.942 10.879  1.000 19.342 0 248 THR   A C    1 ? 
ATOM   2340 O  O    . THR   A 1 136 ? -5.601  -13.367 10.634  1.000 19.283 0 248 THR   A O    1 ? 
ATOM   2341 C  CB   . THR   A 1 136 ? -2.726  -13.027 12.391  1.000 21.201 0 248 THR   A CB   1 ? 
ATOM   2342 O  OG1  . THR   A 1 136 ? -2.308  -14.340 12.750  1.000 23.433 0 248 THR   A OG1  1 ? 
ATOM   2343 C  CG2  . THR   A 1 136 ? -3.777  -12.502 13.354  1.000 21.402 0 248 THR   A CG2  1 ? 
ATOM   2344 H  H    . THR   A 1 136 ? -4.317  -11.431 10.591  1.000 18.739 0 248 THR   A H    1 c 
ATOM   2345 H  HA   . THR   A 1 136 ? -2.559  -13.575 10.402  1.000 19.709 0 248 THR   A HA   1 c 
ATOM   2346 H  HB   . THR   A 1 136 ? -1.944  -12.425 12.412  1.000 21.270 0 248 THR   A HB   1 c 
ATOM   2347 H  HG1  . THR   A 1 136 ? -2.974  -14.886 12.763  0.000 27.630 0 248 THR   A HG1  1 c 
ATOM   2348 H  HG21 . THR   A 1 136 ? -3.391  -12.420 14.242  1.000 21.366 0 248 THR   A HG21 1 c 
ATOM   2349 H  HG22 . THR   A 1 136 ? -4.529  -13.116 13.385  1.000 21.383 0 248 THR   A HG22 1 c 
ATOM   2350 H  HG23 . THR   A 1 136 ? -4.085  -11.631 13.054  1.000 21.366 0 248 THR   A HG23 1 c 
ATOM   2351 N  N    . MET   A 1 137 ? -4.442  -15.262 11.076  1.000 20.395 0 249 MET   A N    1 ? 
ATOM   2352 C  CA   . MET   A 1 137 ? -5.604  -16.131 11.212  1.000 20.783 0 249 MET   A CA   1 ? 
ATOM   2353 C  C    . MET   A 1 137 ? -5.810  -16.437 12.694  1.000 22.139 0 249 MET   A C    1 ? 
ATOM   2354 O  O    . MET   A 1 137 ? -4.874  -16.877 13.358  1.000 22.840 0 249 MET   A O    1 ? 
ATOM   2355 C  CB   . MET   A 1 137 ? -5.412  -17.450 10.454  1.000 21.412 0 249 MET   A CB   1 ? 
ATOM   2356 C  CG   . MET   A 1 137 ? -5.137  -17.279 8.974   1.000 22.585 0 249 MET   A CG   1 ? 
ATOM   2357 S  SD   . MET   A 1 137 ? -6.468  -16.425 8.107   1.000 23.719 0 249 MET   A SD   1 ? 
ATOM   2358 C  CE   . MET   A 1 137 ? -5.703  -16.180 6.499   1.000 23.820 0 249 MET   A CE   1 ? 
ATOM   2359 H  H    . MET   A 1 137 ? -3.610  -15.636 11.125  1.000 20.325 0 249 MET   A H    1 c 
ATOM   2360 H  HA   . MET   A 1 137 ? -6.400  -15.658 10.864  1.000 20.911 0 249 MET   A HA   1 c 
ATOM   2361 H  HB2  . MET   A 1 137 ? -4.665  -17.939 10.861  1.000 21.451 0 249 MET   A HB2  1 c 
ATOM   2362 H  HB3  . MET   A 1 137 ? -6.220  -17.996 10.565  1.000 21.454 0 249 MET   A HB3  1 c 
ATOM   2363 H  HG2  . MET   A 1 137 ? -4.309  -16.773 8.855   1.000 22.516 0 249 MET   A HG2  1 c 
ATOM   2364 H  HG3  . MET   A 1 137 ? -5.011  -18.159 8.565   1.000 22.531 0 249 MET   A HG3  1 c 
ATOM   2365 H  HE1  . MET   A 1 137 ? -6.324  -15.708 5.913   1.000 23.835 0 249 MET   A HE1  1 c 
ATOM   2366 H  HE2  . MET   A 1 137 ? -4.889  -15.653 6.603   1.000 23.811 0 249 MET   A HE2  1 c 
ATOM   2367 H  HE3  . MET   A 1 137 ? -5.482  -17.046 6.109   1.000 23.832 0 249 MET   A HE3  1 c 
ATOM   2368 N  N    . ILE   A 1 138 ? -7.027  -16.207 13.203  1.000 22.431 0 250 ILE   A N    1 ? 
ATOM   2369 C  CA   . ILE   A 1 138 ? -7.332  -16.451 14.611  1.000 24.381 0 250 ILE   A CA   1 ? 
ATOM   2370 C  C    . ILE   A 1 138 ? -7.756  -17.919 14.792  1.000 25.156 0 250 ILE   A C    1 ? 
ATOM   2371 O  O    . ILE   A 1 138 ? -7.610  -18.417 15.927  1.000 25.779 0 250 ILE   A O    1 ? 
ATOM   2372 C  CB   . ILE   A 1 138 ? -8.395  -15.473 15.148  1.000 25.474 0 250 ILE   A CB   1 ? 
ATOM   2373 C  CG1  . ILE   A 1 138 ? -9.727  -15.582 14.399  1.000 25.821 0 250 ILE   A CG1  1 ? 
ATOM   2374 C  CG2  . ILE   A 1 138 ? -7.858  -14.042 15.138  1.000 26.380 0 250 ILE   A CG2  1 ? 
ATOM   2375 C  CD1  . ILE   A 1 138 ? -10.925 -15.097 15.192  1.000 26.236 0 250 ILE   A CD1  1 ? 
ATOM   2376 O  OXT  . ILE   A 1 138 ? -8.216  -18.521 13.799  1.000 25.981 0 250 ILE   A OXT  1 ? 
ATOM   2377 H  H    . ILE   A 1 138 ? -7.687  -15.891 12.657  1.000 22.589 0 250 ILE   A H    1 c 
ATOM   2378 H  HA   . ILE   A 1 138 ? -6.514  -16.308 15.126  1.000 24.284 0 250 ILE   A HA   1 c 
ATOM   2379 H  HB   . ILE   A 1 138 ? -8.568  -15.715 16.080  1.000 25.468 0 250 ILE   A HB   1 c 
ATOM   2380 H  HG12 . ILE   A 1 138 ? -9.666  -15.057 13.576  1.000 25.721 0 250 ILE   A HG12 1 c 
ATOM   2381 H  HG13 . ILE   A 1 138 ? -9.876  -16.516 14.147  1.000 25.818 0 250 ILE   A HG13 1 c 
ATOM   2382 H  HG21 . ILE   A 1 138 ? -8.538  -13.436 15.477  1.000 26.281 0 250 ILE   A HG21 1 c 
ATOM   2383 H  HG22 . ILE   A 1 138 ? -7.625  -13.788 14.229  1.000 26.275 0 250 ILE   A HG22 1 c 
ATOM   2384 H  HG23 . ILE   A 1 138 ? -7.067  -13.987 15.700  1.000 26.301 0 250 ILE   A HG23 1 c 
ATOM   2385 H  HD11 . ILE   A 1 138 ? -11.011 -15.623 16.010  1.000 26.206 0 250 ILE   A HD11 1 c 
ATOM   2386 H  HD12 . ILE   A 1 138 ? -11.734 -15.199 14.656  1.000 26.228 0 250 ILE   A HD12 1 c 
ATOM   2387 H  HD13 . ILE   A 1 138 ? -10.806 -14.156 15.423  1.000 26.204 0 250 ILE   A HD13 1 c 
HETATM 2388 S  S    . SCN   B 2 .   ? -23.877 -2.474  -3.561  1.000 23.636 0 301 SCN   A S    1 ? 
HETATM 2389 C  C    . SCN   B 2 .   ? -25.346 -1.989  -3.232  1.000 23.594 0 301 SCN   A C    1 ? 
HETATM 2390 N  N    . SCN   B 2 .   ? -26.425 -1.643  -2.954  1.000 22.731 0 301 SCN   A N    1 ? 
HETATM 2391 N  N1   . A1H2M C 3 .   ? -22.938 8.452   -3.283  1.000 19.929 0 302 A1H2M A N1   1 ? 
HETATM 2392 N  N3   . A1H2M C 3 .   ? -21.439 9.002   -4.629  1.000 19.897 0 302 A1H2M A N3   1 ? 
HETATM 2393 C  C4   . A1H2M C 3 .   ? -19.364 9.159   -3.194  1.000 17.008 0 302 A1H2M A C4   1 ? 
HETATM 2394 C  C5   . A1H2M C 3 .   ? -20.841 8.902   -3.414  1.000 18.298 0 302 A1H2M A C5   1 ? 
HETATM 2395 C  C6   . A1H2M C 3 .   ? -21.838 8.510   -2.536  1.000 19.230 0 302 A1H2M A C6   1 ? 
HETATM 2396 C  C7   . A1H2M C 3 .   ? -24.291 8.042   -2.796  1.000 21.331 0 302 A1H2M A C7   1 ? 
HETATM 2397 C  C8   . A1H2M C 3 .   ? -24.420 6.526   -2.814  1.000 21.965 0 302 A1H2M A C8   1 ? 
HETATM 2398 C  C10  . A1H2M C 3 .   ? -24.719 8.620   -1.500  1.000 21.879 0 302 A1H2M A C10  1 ? 
HETATM 2399 C  C13  . A1H2M C 3 .   ? -17.248 7.217   -0.908  1.000 14.759 0 302 A1H2M A C13  1 ? 
HETATM 2400 C  C15  . A1H2M C 3 .   ? -13.218 8.696   -1.230  1.000 17.345 0 302 A1H2M A C15  1 ? 
HETATM 2401 C  C17  . A1H2M C 3 .   ? -10.850 9.386   -1.395  1.000 18.806 0 302 A1H2M A C17  1 ? 
HETATM 2402 C  C20  . A1H2M C 3 .   ? -10.534 9.252   1.350   1.000 19.266 0 302 A1H2M A C20  1 ? 
HETATM 2403 C  C21  . A1H2M C 3 .   ? -11.761 8.951   0.787   1.000 18.341 0 302 A1H2M A C21  1 ? 
HETATM 2404 C  C22  . A1H2M C 3 .   ? -14.503 8.794   -0.733  1.000 16.747 0 302 A1H2M A C22  1 ? 
HETATM 2405 C  C1   . A1H2M C 3 .   ? -17.028 11.887  -2.026  1.000 18.112 0 302 A1H2M A C1   1 ? 
HETATM 2406 O  O1   . A1H2M C 3 .   ? -16.938 10.544  -2.497  1.000 17.103 0 302 A1H2M A O1   1 ? 
HETATM 2407 C  C2   . A1H2M C 3 .   ? -17.423 9.548   -1.597  1.000 15.948 0 302 A1H2M A C2   1 ? 
HETATM 2408 C  C3   . A1H2M C 3 .   ? -18.951 9.402   -1.732  1.000 15.925 0 302 A1H2M A C3   1 ? 
HETATM 2409 F  F1   . A1H2M C 3 .   ? -23.491 5.974   -1.981  1.000 22.498 0 302 A1H2M A F1   1 ? 
HETATM 2410 C  C9   . A1H2M C 3 .   ? -25.433 8.712   -3.480  1.000 22.291 0 302 A1H2M A C9   1 ? 
HETATM 2411 O  O2   . A1H2M C 3 .   ? -25.866 9.240   -2.178  1.000 22.760 0 302 A1H2M A O2   1 ? 
HETATM 2412 N  N2   . A1H2M C 3 .   ? -22.716 8.711   -4.533  1.000 20.363 0 302 A1H2M A N2   1 ? 
HETATM 2413 O  O3   . A1H2M C 3 .   ? -19.396 8.339   -0.877  1.000 14.668 0 302 A1H2M A O3   1 ? 
HETATM 2414 C  C11  . A1H2M C 3 .   ? -18.759 7.071   -1.069  1.000 14.671 0 302 A1H2M A C11  1 ? 
HETATM 2415 C  C12  . A1H2M C 3 .   ? -19.325 6.072   -0.076  1.000 13.979 0 302 A1H2M A C12  1 ? 
HETATM 2416 O  O4   . A1H2M C 3 .   ? -20.720 5.886   -0.339  1.000 14.124 0 302 A1H2M A O4   1 ? 
HETATM 2417 O  O5   . A1H2M C 3 .   ? -16.953 7.576   0.450   1.000 13.959 0 302 A1H2M A O5   1 ? 
HETATM 2418 C  C14  . A1H2M C 3 .   ? -16.715 8.274   -1.886  1.000 15.659 0 302 A1H2M A C14  1 ? 
HETATM 2419 N  N4   . A1H2M C 3 .   ? -15.284 8.375   -1.715  1.000 16.024 0 302 A1H2M A N4   1 ? 
HETATM 2420 N  N5   . A1H2M C 3 .   ? -14.586 8.080   -2.782  1.000 17.339 0 302 A1H2M A N5   1 ? 
HETATM 2421 N  N6   . A1H2M C 3 .   ? -13.323 8.254   -2.502  1.000 17.854 0 302 A1H2M A N6   1 ? 
HETATM 2422 C  C16  . A1H2M C 3 .   ? -11.918 9.015   -0.587  1.000 18.188 0 302 A1H2M A C16  1 ? 
HETATM 2423 C  C18  . A1H2M C 3 .   ? -9.626  9.685   -0.832  1.000 19.765 0 302 A1H2M A C18  1 ? 
HETATM 2424 C  C19  . A1H2M C 3 .   ? -9.464  9.617   0.541   1.000 20.279 0 302 A1H2M A C19  1 ? 
HETATM 2425 CL CL1  . A1H2M C 3 .   ? -7.856  10.021  1.238   0.500 22.966 0 302 A1H2M A CL1  1 ? 
HETATM 2426 F  F2   . A1H2M C 3 .   ? -10.450 9.164   2.734   1.000 19.334 0 302 A1H2M A F2   1 ? 
HETATM 2427 F  F3   . A1H2M C 3 .   ? -12.792 8.588   1.640   1.000 18.527 0 302 A1H2M A F3   1 ? 
HETATM 2428 H  H7   . A1H2M C 3 .   ? -19.078 10.030  -3.787  1.000 16.980 0 302 A1H2M A H7   1 c 
HETATM 2429 H  H6   . A1H2M C 3 .   ? -18.809 8.306   -3.586  1.000 16.951 0 302 A1H2M A H6   1 c 
HETATM 2430 H  H8   . A1H2M C 3 .   ? -21.754 8.327   -1.473  1.000 19.117 0 302 A1H2M A H8   1 c 
HETATM 2431 H  H9   . A1H2M C 3 .   ? -24.272 6.158   -3.832  1.000 21.987 0 302 A1H2M A H9   1 c 
HETATM 2432 H  H10  . A1H2M C 3 .   ? -25.423 6.240   -2.492  1.000 21.957 0 302 A1H2M A H10  1 c 
HETATM 2433 H  H13  . A1H2M C 3 .   ? -24.003 9.339   -1.098  1.000 21.880 0 302 A1H2M A H13  1 c 
HETATM 2434 H  H14  . A1H2M C 3 .   ? -24.999 7.857   -0.769  1.000 21.883 0 302 A1H2M A H14  1 c 
HETATM 2435 H  H19  . A1H2M C 3 .   ? -16.777 6.253   -1.145  1.000 14.726 0 302 A1H2M A H19  1 c 
HETATM 2436 H  H22  . A1H2M C 3 .   ? -10.975 9.436   -2.469  1.000 18.840 0 302 A1H2M A H22  1 c 
HETATM 2437 H  H24  . A1H2M C 3 .   ? -14.803 9.117   0.255   1.000 16.779 0 302 A1H2M A H24  1 c 
HETATM 2438 H  H2   . A1H2M C 3 .   ? -16.636 12.543  -2.759  1.000 17.979 0 302 A1H2M A H2   1 c 
HETATM 2439 H  H3   . A1H2M C 3 .   ? -16.471 11.987  -1.130  1.000 18.019 0 302 A1H2M A H3   1 c 
HETATM 2440 H  H1   . A1H2M C 3 .   ? -18.041 12.132  -1.840  1.000 18.020 0 302 A1H2M A H1   1 c 
HETATM 2441 H  H4   . A1H2M C 3 .   ? -17.192 9.846   -0.565  1.000 16.051 0 302 A1H2M A H4   1 c 
HETATM 2442 H  H5   . A1H2M C 3 .   ? -19.415 10.342  -1.403  1.000 15.832 0 302 A1H2M A H5   1 c 
HETATM 2443 H  H12  . A1H2M C 3 .   ? -26.158 8.020   -3.915  1.000 22.233 0 302 A1H2M A H12  1 c 
HETATM 2444 H  H11  . A1H2M C 3 .   ? -25.137 9.500   -4.175  1.000 22.224 0 302 A1H2M A H11  1 c 
HETATM 2445 H  H15  . A1H2M C 3 .   ? -18.966 6.702   -2.083  1.000 14.598 0 302 A1H2M A H15  1 c 
HETATM 2446 H  H16  . A1H2M C 3 .   ? -19.187 6.443   0.942   1.000 14.085 0 302 A1H2M A H16  1 c 
HETATM 2447 H  H17  . A1H2M C 3 .   ? -18.798 5.120   -0.169  1.000 14.080 0 302 A1H2M A H17  1 c 
HETATM 2448 H  H18  . A1H2M C 3 .   ? -21.178 6.738   -0.254  0.000 14.341 0 302 A1H2M A H18  1 c 
HETATM 2449 H  H20  . A1H2M C 3 .   ? -16.469 8.412   0.463   0.000 13.499 0 302 A1H2M A H20  1 c 
HETATM 2450 H  H21  . A1H2M C 3 .   ? -16.978 7.926   -2.880  1.000 15.626 0 302 A1H2M A H21  1 c 
HETATM 2451 H  H23  . A1H2M C 3 .   ? -8.793  9.972   -1.463  1.000 19.727 0 302 A1H2M A H23  1 c 
HETATM 2452 S  S    . SCN   D 2 .   ? -15.266 11.181  2.126   1.000 31.390 0 303 SCN   A S    1 ? 
HETATM 2453 C  C    . SCN   D 2 .   ? -14.455 11.851  0.955   1.000 31.914 0 303 SCN   A C    1 ? 
HETATM 2454 N  N    . SCN   D 2 .   ? -13.841 12.311  0.098   1.000 32.417 0 303 SCN   A N    1 ? 
HETATM 2455 CL CL   . CL    E 4 .   ? -4.014  9.560   1.138   1.000 29.901 0 304 CL    A CL   1 ? 
HETATM 2456 O  O    . HOH   F 5 .   ? -10.517 16.540  12.943  1.000 34.313 0 401 HOH   A O    1 ? 
HETATM 2457 O  O    . HOH   F 5 .   ? -15.240 -16.937 13.134  1.000 35.803 0 402 HOH   A O    1 ? 
HETATM 2458 O  O    . HOH   F 5 .   ? -10.039 -7.655  18.330  1.000 33.447 0 403 HOH   A O    1 ? 
HETATM 2459 O  O    . HOH   F 5 .   ? -20.883 11.034  15.777  1.000 22.885 0 404 HOH   A O    1 ? 
HETATM 2460 O  O    . HOH   F 5 .   ? -14.384 -15.051 14.897  1.000 30.382 0 405 HOH   A O    1 ? 
HETATM 2461 O  O    . HOH   F 5 .   ? -8.291  3.677   0.758   1.000 17.153 0 406 HOH   A O    1 ? 
HETATM 2462 O  O    . HOH   F 5 .   ? -11.719 -17.331 0.934   1.000 21.872 0 407 HOH   A O    1 ? 
HETATM 2463 O  O    . HOH   F 5 .   ? -25.103 -14.034 8.991   1.000 32.513 0 408 HOH   A O    1 ? 
HETATM 2464 O  O    . HOH   F 5 .   ? -17.598 -4.868  -15.054 1.000 29.759 0 409 HOH   A O    1 ? 
HETATM 2465 O  O    . HOH   F 5 .   ? -21.927 10.307  0.828   1.000 18.960 0 410 HOH   A O    1 ? 
HETATM 2466 O  O    . HOH   F 5 .   ? -24.600 -4.862  6.747   1.000 18.035 0 411 HOH   A O    1 ? 
HETATM 2467 O  O    . HOH   F 5 .   ? -18.696 -5.922  -11.070 1.000 26.719 0 412 HOH   A O    1 ? 
HETATM 2468 O  O    . HOH   F 5 .   ? -11.142 14.666  17.859  1.000 32.502 0 413 HOH   A O    1 ? 
HETATM 2469 O  O    . HOH   F 5 .   ? -23.487 14.178  8.584   1.000 26.169 0 414 HOH   A O    1 ? 
HETATM 2470 O  O    . HOH   F 5 .   ? -17.313 -7.501  -7.174  1.000 20.311 0 415 HOH   A O    1 ? 
HETATM 2471 O  O    . HOH   F 5 .   ? 2.439   -4.021  5.507   1.000 34.859 0 416 HOH   A O    1 ? 
HETATM 2472 O  O    . HOH   F 5 .   ? -26.758 13.535  11.530  1.000 32.223 0 417 HOH   A O    1 ? 
HETATM 2473 O  O    . HOH   F 5 .   ? -3.067  -8.671  -4.594  1.000 22.965 0 418 HOH   A O    1 ? 
HETATM 2474 O  O    . HOH   F 5 .   ? -19.056 -6.747  0.199   1.000 13.034 0 419 HOH   A O    1 ? 
HETATM 2475 O  O    . HOH   F 5 .   ? -0.816  13.635  18.244  1.000 34.893 0 420 HOH   A O    1 ? 
HETATM 2476 O  O    . HOH   F 5 .   ? -13.665 14.691  21.095  1.000 21.292 0 421 HOH   A O    1 ? 
HETATM 2477 O  O    . HOH   F 5 .   ? -23.911 -4.903  3.343   1.000 16.106 0 422 HOH   A O    1 ? 
HETATM 2478 O  O    . HOH   F 5 .   ? -7.911  1.215   -2.919  1.000 34.500 0 423 HOH   A O    1 ? 
HETATM 2479 O  O    . HOH   F 5 .   ? -1.357  -8.856  12.322  1.000 26.346 0 424 HOH   A O    1 ? 
HETATM 2480 O  O    . HOH   F 5 .   ? -20.675 8.925   -7.201  1.000 39.077 0 425 HOH   A O    1 ? 
HETATM 2481 O  O    . HOH   F 5 .   ? -11.578 1.456   23.357  1.000 33.530 0 426 HOH   A O    1 ? 
HETATM 2482 O  O    . HOH   F 5 .   ? -10.026 0.742   -8.550  1.000 22.014 0 427 HOH   A O    1 ? 
HETATM 2483 O  O    . HOH   F 5 .   ? -25.849 22.259  6.267   1.000 36.105 0 428 HOH   A O    1 ? 
HETATM 2484 O  O    . HOH   F 5 .   ? -11.509 5.731   -0.908  1.000 26.105 0 429 HOH   A O    1 ? 
HETATM 2485 O  O    . HOH   F 5 .   ? 0.805   8.293   18.070  1.000 26.977 0 430 HOH   A O    1 ? 
HETATM 2486 O  O    . HOH   F 5 .   ? -22.538 -1.556  8.388   1.000 22.014 0 431 HOH   A O    1 ? 
HETATM 2487 O  O    . HOH   F 5 .   ? -4.140  -9.104  12.868  1.000 22.549 0 432 HOH   A O    1 ? 
HETATM 2488 O  O    . HOH   F 5 .   ? -10.463 -6.640  20.720  1.000 25.108 0 433 HOH   A O    1 ? 
HETATM 2489 O  O    . HOH   F 5 .   ? -12.672 1.477   -7.472  1.000 34.922 0 434 HOH   A O    1 ? 
HETATM 2490 O  O    . HOH   F 5 .   ? -7.199  -1.363  -2.617  1.000 36.403 0 435 HOH   A O    1 ? 
HETATM 2491 O  O    . HOH   F 5 .   ? -3.590  14.089  5.168   1.000 38.746 0 436 HOH   A O    1 ? 
HETATM 2492 O  O    . HOH   F 5 .   ? -12.874 4.079   -2.964  1.000 34.169 0 437 HOH   A O    1 ? 
HETATM 2493 O  O    . HOH   F 5 .   ? -24.263 -11.123 9.217   1.000 28.454 0 438 HOH   A O    1 ? 
HETATM 2494 O  O    . HOH   F 5 .   ? -16.999 -10.734 -11.828 1.000 32.730 0 439 HOH   A O    1 ? 
HETATM 2495 O  O    . HOH   F 5 .   ? -15.646 -2.197  -11.598 1.000 18.733 0 440 HOH   A O    1 ? 
HETATM 2496 O  O    . HOH   F 5 .   ? -25.302 8.175   11.244  1.000 36.838 0 441 HOH   A O    1 ? 
HETATM 2497 O  O    . HOH   F 5 .   ? -18.529 -1.815  21.514  1.000 40.227 0 442 HOH   A O    1 ? 
HETATM 2498 O  O    . HOH   F 5 .   ? -10.181 -14.874 -10.216 1.000 37.639 0 443 HOH   A O    1 ? 
HETATM 2499 O  O    . HOH   F 5 .   ? -22.935 -4.523  15.053  1.000 28.042 0 444 HOH   A O    1 ? 
HETATM 2500 O  O    . HOH   F 5 .   ? -15.358 14.954  6.773   1.000 21.543 0 445 HOH   A O    1 ? 
HETATM 2501 O  O    . HOH   F 5 .   ? -24.919 -8.685  -3.214  1.000 31.279 0 446 HOH   A O    1 ? 
HETATM 2502 O  O    . HOH   F 5 .   ? -21.226 2.672   8.865   1.000 22.625 0 447 HOH   A O    1 ? 
HETATM 2503 O  O    . HOH   F 5 .   ? -7.295  13.015  2.851   1.000 29.796 0 448 HOH   A O    1 ? 
HETATM 2504 O  O    . HOH   F 5 .   ? -24.909 -10.465 2.701   1.000 21.705 0 449 HOH   A O    1 ? 
HETATM 2505 O  O    . HOH   F 5 .   ? -7.675  -4.133  -6.947  1.000 29.995 0 450 HOH   A O    1 ? 
HETATM 2506 O  O    . HOH   F 5 .   ? 6.127   4.882   2.910   1.000 27.653 0 451 HOH   A O    1 ? 
HETATM 2507 O  O    . HOH   F 5 .   ? -8.988  6.589   -1.420  1.000 30.888 0 452 HOH   A O    1 ? 
HETATM 2508 O  O    . HOH   F 5 .   ? -17.482 -8.899  0.833   1.000 14.120 0 453 HOH   A O    1 ? 
HETATM 2509 O  O    . HOH   F 5 .   ? -9.641  -3.076  17.657  1.000 14.481 0 454 HOH   A O    1 ? 
HETATM 2510 O  O    . HOH   F 5 .   ? -15.077 1.114   18.601  1.000 31.832 0 455 HOH   A O    1 ? 
HETATM 2511 O  O    . HOH   F 5 .   ? -24.935 -5.420  9.418   1.000 30.848 0 456 HOH   A O    1 ? 
HETATM 2512 O  O    . HOH   F 5 .   ? -0.690  -4.149  11.982  1.000 18.393 0 457 HOH   A O    1 ? 
HETATM 2513 O  O    . HOH   F 5 .   ? -16.382 -0.549  -8.910  1.000 15.366 0 458 HOH   A O    1 ? 
HETATM 2514 O  O    . HOH   F 5 .   ? -14.544 -14.816 -10.931 1.000 33.417 0 459 HOH   A O    1 ? 
HETATM 2515 O  O    . HOH   F 5 .   ? -10.296 8.457   22.871  1.000 20.820 0 460 HOH   A O    1 ? 
HETATM 2516 O  O    . HOH   F 5 .   ? -23.308 -1.339  -10.518 1.000 40.330 0 461 HOH   A O    1 ? 
HETATM 2517 O  O    . HOH   F 5 .   ? -1.432  3.069   16.655  1.000 24.074 0 462 HOH   A O    1 ? 
HETATM 2518 O  O    . HOH   F 5 .   ? -26.492 4.270   -4.730  1.000 35.722 0 463 HOH   A O    1 ? 
HETATM 2519 O  O    . HOH   F 5 .   ? -26.765 7.876   1.661   1.000 37.801 0 464 HOH   A O    1 ? 
HETATM 2520 O  O    . HOH   F 5 .   ? -13.424 6.285   -12.259 1.000 31.790 0 465 HOH   A O    1 ? 
HETATM 2521 O  O    . HOH   F 5 .   ? -25.845 5.671   14.460  1.000 34.041 0 466 HOH   A O    1 ? 
HETATM 2522 O  O    . HOH   F 5 .   ? -15.310 7.338   -5.473  1.000 30.695 0 467 HOH   A O    1 ? 
HETATM 2523 O  O    . HOH   F 5 .   ? -26.497 -1.522  8.543   1.000 39.760 0 468 HOH   A O    1 ? 
HETATM 2524 O  O    . HOH   F 5 .   ? -22.877 20.345  14.578  1.000 31.644 0 469 HOH   A O    1 ? 
HETATM 2525 O  O    . HOH   F 5 .   ? -11.633 4.581   21.156  1.000 35.030 0 470 HOH   A O    1 ? 
HETATM 2526 O  O    . HOH   F 5 .   ? -2.194  11.633  4.636   1.000 45.039 0 471 HOH   A O    1 ? 
HETATM 2527 O  O    . HOH   F 5 .   ? -23.451 11.237  12.542  1.000 26.759 0 472 HOH   A O    1 ? 
HETATM 2528 O  O    . HOH   F 5 .   ? -23.368 -2.959  12.594  1.000 21.062 0 473 HOH   A O    1 ? 
HETATM 2529 O  O    . HOH   F 5 .   ? -26.795 -9.788  -0.763  1.000 27.579 0 474 HOH   A O    1 ? 
HETATM 2530 O  O    . HOH   F 5 .   ? -20.096 18.990  4.914   1.000 29.830 0 475 HOH   A O    1 ? 
HETATM 2531 O  O    . HOH   F 5 .   ? -8.191  8.121   16.575  1.000 18.455 0 476 HOH   A O    1 ? 
HETATM 2532 O  O    . HOH   F 5 .   ? -26.026 15.833  8.423   1.000 35.780 0 477 HOH   A O    1 ? 
HETATM 2533 O  O    . HOH   F 5 .   ? -4.660  -12.482 1.786   1.000 27.061 0 478 HOH   A O    1 ? 
HETATM 2534 O  O    . HOH   F 5 .   ? -16.703 -4.671  22.298  1.000 37.488 0 479 HOH   A O    1 ? 
HETATM 2535 O  O    . HOH   F 5 .   ? -21.636 6.237   -7.913  1.000 26.875 0 480 HOH   A O    1 ? 
HETATM 2536 O  O    . HOH   F 5 .   ? -25.551 10.065  8.775   1.000 30.090 0 481 HOH   A O    1 ? 
HETATM 2537 O  O    . HOH   F 5 .   ? -9.668  7.549   20.110  1.000 22.338 0 482 HOH   A O    1 ? 
HETATM 2538 O  O    . HOH   F 5 .   ? -13.368 2.473   20.730  1.000 34.478 0 483 HOH   A O    1 ? 
HETATM 2539 O  O    . HOH   F 5 .   ? -13.564 12.012  -2.901  1.000 36.495 0 484 HOH   A O    1 ? 
HETATM 2540 O  O    . HOH   F 5 .   ? 0.401   -9.563  7.173   1.000 34.732 0 485 HOH   A O    1 ? 
HETATM 2541 O  O    . HOH   F 5 .   ? -22.766 -0.779  -5.584  1.000 36.780 0 486 HOH   A O    1 ? 
HETATM 2542 O  O    . HOH   F 5 .   ? -18.620 -17.885 3.961   1.000 26.972 0 487 HOH   A O    1 ? 
HETATM 2543 O  O    . HOH   F 5 .   ? -22.800 0.914   9.923   1.000 32.454 0 488 HOH   A O    1 ? 
HETATM 2544 O  O    . HOH   F 5 .   ? -8.070  -6.894  -6.009  1.000 17.878 0 489 HOH   A O    1 ? 
HETATM 2545 O  O    . HOH   F 5 .   ? 3.082   -3.044  8.030   1.000 24.211 0 490 HOH   A O    1 ? 
HETATM 2546 O  O    . HOH   F 5 .   ? -13.313 -6.896  14.694  1.000 31.986 0 491 HOH   A O    1 ? 
HETATM 2547 O  O    . HOH   F 5 .   ? -9.581  -19.963 -2.080  1.000 34.713 0 492 HOH   A O    1 ? 
HETATM 2548 O  O    . HOH   F 5 .   ? -27.140 5.956   -0.029  1.000 23.727 0 493 HOH   A O    1 ? 
HETATM 2549 O  O    . HOH   F 5 .   ? -14.851 -17.247 -1.779  1.000 26.377 0 494 HOH   A O    1 ? 
HETATM 2550 O  O    . HOH   F 5 .   ? -17.318 14.865  4.769   1.000 34.669 0 495 HOH   A O    1 ? 
HETATM 2551 O  O    . HOH   F 5 .   ? -6.578  3.794   -1.394  1.000 41.245 0 496 HOH   A O    1 ? 
HETATM 2552 O  O    . HOH   F 5 .   ? -25.097 -5.199  -3.782  1.000 39.383 0 497 HOH   A O    1 ? 
HETATM 2553 O  O    . HOH   F 5 .   ? -26.209 -6.151  2.589   1.000 24.321 0 498 HOH   A O    1 ? 
HETATM 2554 O  O    . HOH   F 5 .   ? -1.538  -6.284  -4.348  1.000 37.340 0 499 HOH   A O    1 ? 
HETATM 2555 O  O    . HOH   F 5 .   ? -24.538 12.231  10.322  1.000 24.610 0 500 HOH   A O    1 ? 
HETATM 2556 O  O    . HOH   F 5 .   ? -4.454  -8.906  -7.113  1.000 33.443 0 501 HOH   A O    1 ? 
HETATM 2557 O  O    . HOH   F 5 .   ? -15.873 -18.452 3.123   1.000 32.305 0 502 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   ? 0.08807544 0.53910327 0.28353965 0.01372939  -0.01524004 -0.01627118 113 PRO   A N    
2    C  CA   . PRO   A 1   ? 0.00904371 0.53617215 0.27472419 -0.00406044 0.00066948  -0.02082017 113 PRO   A CA   
3    C  C    . PRO   A 1   ? 0.00726279 0.51845962 0.27615112 -0.00859552 0.01485554  -0.01857326 113 PRO   A C    
4    O  O    . PRO   A 1   ? 0.00689813 0.53198886 0.27905661 -0.00976000 0.01057325  -0.01875371 113 PRO   A O    
5    C  CB   . PRO   A 1   ? 0.05876170 0.53468072 0.27969611 0.00271547  0.00386424  -0.02078577 113 PRO   A CB   
6    C  CG   . PRO   A 1   ? 0.07755888 0.54427850 0.28451902 0.00320974  -0.01067835 -0.01911240 113 PRO   A CG   
7    C  CD   . PRO   A 1   ? 0.09934475 0.54374498 0.28431249 0.00260274  -0.01159194 -0.01848759 113 PRO   A CD   
8    H  H    . PRO   A 1   ? 0.07395712 0.54067510 0.28278160 0.00900121  -0.01174298 -0.01654707 113 PRO   A H    
9    H  HA   . PRO   A 1   ? 0.01295709 0.52994889 0.27487671 -0.00427879 0.00404742  -0.01867716 113 PRO   A HA   
10   H  HB2  . PRO   A 1   ? 0.05506521 0.53679240 0.27955276 0.00242016  0.00147380  -0.02057064 113 PRO   A HB2  
11   H  HB3  . PRO   A 1   ? 0.05484515 0.53689504 0.27935690 0.00149682  0.00179597  -0.02031980 113 PRO   A HB3  
12   H  HG2  . PRO   A 1   ? 0.07832939 0.54300231 0.28347760 0.00287415  -0.00900569 -0.01937314 113 PRO   A HG2  
13   H  HG3  . PRO   A 1   ? 0.07968538 0.54310417 0.28362602 0.00304688  -0.00928144 -0.01925186 113 PRO   A HG3  
14   H  HD2  . PRO   A 1   ? 0.09998408 0.54316491 0.28410101 0.00451629  -0.01212677 -0.01795360 113 PRO   A HD2  
15   H  HD3  . PRO   A 1   ? 0.09564839 0.54323786 0.28411990 0.00453935  -0.01204559 -0.01797507 113 PRO   A HD3  
16   N  N    . LEU   A 2   ? 0.00834596 0.47654808 0.28488648 -0.02247908 0.01692433  -0.01610510 114 LEU   A N    
17   C  CA   . LEU   A 2   ? 0.01231904 0.45969075 0.29571748 -0.02284065 0.01857825  -0.01467993 114 LEU   A CA   
18   C  C    . LEU   A 2   ? 0.02762709 0.45665336 0.30890173 -0.02347464 0.02427290  -0.00057218 114 LEU   A C    
19   O  O    . LEU   A 2   ? 0.08997979 0.46696877 0.32665449 0.00585409  0.02485804  -0.02049506 114 LEU   A O    
20   C  CB   . LEU   A 2   ? 0.02913660 0.45063442 0.31314480 -0.02489792 0.01752353  -0.01457792 114 LEU   A CB   
21   C  CG   . LEU   A 2   ? 0.03932223 0.45397311 0.33880520 -0.02014570 0.00021380  -0.01626967 114 LEU   A CG   
22   C  CD1  . LEU   A 2   ? 0.04717004 0.45184737 0.34916949 -0.02266433 0.00193630  -0.01541348 114 LEU   A CD1  
23   C  CD2  . LEU   A 2   ? 0.05491939 0.45571536 0.34431112 -0.01099890 0.00484546  -0.02081383 114 LEU   A CD2  
24   H  H    . LEU   A 2   ? 0.00849877 0.48048490 0.28295922 -0.01894264 0.02040090  -0.01695465 114 LEU   A H    
25   H  HA   . LEU   A 2   ? 0.01380833 0.46086854 0.29680985 -0.02277975 0.02027458  -0.01342151 114 LEU   A HA   
26   H  HB2  . LEU   A 2   ? 0.02954029 0.45148301 0.31275737 -0.02340318 0.01705250  -0.01482735 114 LEU   A HB2  
27   H  HB3  . LEU   A 2   ? 0.02854159 0.45211864 0.31346440 -0.02376090 0.01574223  -0.01472055 114 LEU   A HB3  
28   H  HG   . LEU   A 2   ? 0.03982974 0.45375866 0.33731031 -0.01940466 0.00351308  -0.01638348 114 LEU   A HG   
29   H  HD11 . LEU   A 2   ? 0.04730862 0.45143092 0.34818864 -0.02221375 0.00150885  -0.01551838 114 LEU   A HD11 
30   H  HD12 . LEU   A 2   ? 0.04670851 0.45151180 0.34805626 -0.02225012 0.00172907  -0.01564443 114 LEU   A HD12 
31   H  HD13 . LEU   A 2   ? 0.04709042 0.45080400 0.34845322 -0.02174673 0.00204229  -0.01547412 114 LEU   A HD13 
32   H  HD21 . LEU   A 2   ? 0.05286456 0.45611221 0.34350759 -0.01155142 0.00448998  -0.01967507 114 LEU   A HD21 
33   H  HD22 . LEU   A 2   ? 0.05201912 0.45528156 0.34422499 -0.01256592 0.00421264  -0.01990680 114 LEU   A HD22 
34   H  HD23 . LEU   A 2   ? 0.05203578 0.45535707 0.34376013 -0.01260777 0.00420385  -0.02000791 114 LEU   A HD23 
35   N  N    . ILE   A 3   ? 0.04363802 0.45900923 0.30702192 -0.01912639 0.00914771  0.00177307  115 ILE   A N    
36   C  CA   . ILE   A 3   ? 0.07591558 0.46087158 0.31466919 -0.02718336 -0.01488216 0.00871971  115 ILE   A CA   
37   C  C    . ILE   A 3   ? 0.07315366 0.44676054 0.29567015 -0.02184382 -0.01039932 0.00218703  115 ILE   A C    
38   O  O    . ILE   A 3   ? 0.06052606 0.48132271 0.30431253 -0.00618414 -0.03726723 -0.01612952 115 ILE   A O    
39   C  CB   . ILE   A 3   ? 0.11020286 0.46859741 0.34354442 -0.03039613 -0.01024321 0.02662059  115 ILE   A CB   
40   C  CG1  . ILE   A 3   ? 0.13979138 0.48452318 0.35790527 -0.03050087 -0.03353375 0.02639519  115 ILE   A CG1  
41   C  CG2  . ILE   A 3   ? 0.12117568 0.47096437 0.35254085 -0.03257337 -0.01491949 0.03036526  115 ILE   A CG2  
42   C  CD1  . ILE   A 3   ? 0.15801042 0.48916364 0.36275178 -0.02301926 -0.03697130 0.02695172  115 ILE   A CD1  
43   H  H    . ILE   A 3   ? 0.04501488 0.45874256 0.30694985 -0.02063555 0.00944479  0.00163766  115 ILE   A H    
44   H  HA   . ILE   A 3   ? 0.07522982 0.45958173 0.31517249 -0.02545576 -0.01001522 0.01001049  115 ILE   A HA   
45   H  HB   . ILE   A 3   ? 0.10942490 0.46981955 0.34242547 -0.03036052 -0.01466487 0.02489205  115 ILE   A HB   
46   H  HG12 . ILE   A 3   ? 0.13763782 0.48444593 0.35667360 -0.02928170 -0.02977776 0.02692226  115 ILE   A HG12 
47   H  HG13 . ILE   A 3   ? 0.13875228 0.48378354 0.35746574 -0.02887790 -0.03092063 0.02646554  115 ILE   A HG13 
48   H  HG21 . ILE   A 3   ? 0.12063919 0.47043937 0.35143185 -0.03200668 -0.01447921 0.03013686  115 ILE   A HG21 
49   H  HG22 . ILE   A 3   ? 0.12052727 0.47048002 0.35182607 -0.03219198 -0.01452599 0.03049366  115 ILE   A HG22 
50   H  HG23 . ILE   A 3   ? 0.12070173 0.46977687 0.35086161 -0.03206649 -0.01417340 0.03002322  115 ILE   A HG23 
51   H  HD11 . ILE   A 3   ? 0.15478131 0.48870933 0.36246508 -0.02412941 -0.03660944 0.02715252  115 ILE   A HD11 
52   H  HD12 . ILE   A 3   ? 0.15792455 0.48864180 0.36279702 -0.02393018 -0.03695018 0.02719751  115 ILE   A HD12 
53   H  HD13 . ILE   A 3   ? 0.15464093 0.48886961 0.36258680 -0.02358647 -0.03703780 0.02659136  115 ILE   A HD13 
54   N  N    . VAL   A 4   ? 0.08408445 0.41830188 0.27237022 -0.02001814 -0.01568032 0.00004959  116 VAL   A N    
55   C  CA   . VAL   A 4   ? 0.06877290 0.40018159 0.25419706 -0.02000911 0.00014836  0.00238988  116 VAL   A CA   
56   C  C    . VAL   A 4   ? 0.07137336 0.38390034 0.25017309 -0.02332104 0.00271423  -0.00366661 116 VAL   A C    
57   O  O    . VAL   A 4   ? 0.06902654 0.38320839 0.25943649 -0.02896447 -0.00368641 0.00413355  116 VAL   A O    
58   C  CB   . VAL   A 4   ? 0.08338345 0.40869790 0.24838956 -0.02218880 0.00823473  0.00461643  116 VAL   A CB   
59   C  CG1  . VAL   A 4   ? 0.08608409 0.41231793 0.25110930 -0.02528691 0.00836493  0.00742372  116 VAL   A CG1  
60   C  CG2  . VAL   A 4   ? 0.10363936 0.41325748 0.25006223 -0.01649835 0.00818463  0.00441516  116 VAL   A CG2  
61   H  HA   . VAL   A 4   ? 0.07299075 0.40103608 0.25564456 -0.02031422 -0.00041292 0.00137118  116 VAL   A HA   
62   H  HB   . VAL   A 4   ? 0.08407369 0.40815240 0.24909227 -0.02143154 0.00742603  0.00452050  116 VAL   A HB   
63   H  HG11 . VAL   A 4   ? 0.08646462 0.41168296 0.25023514 -0.02489054 0.00849742  0.00710006  116 VAL   A HG11 
64   H  HG12 . VAL   A 4   ? 0.08626500 0.41188645 0.25031596 -0.02487711 0.00853627  0.00722990  116 VAL   A HG12 
65   H  HG13 . VAL   A 4   ? 0.08685926 0.41165650 0.25028741 -0.02492472 0.00859219  0.00715002  116 VAL   A HG13 
66   H  HG21 . VAL   A 4   ? 0.10247970 0.41176260 0.24983273 -0.01730598 0.00773646  0.00439427  116 VAL   A HG21 
67   H  HG22 . VAL   A 4   ? 0.10078386 0.41217130 0.24985774 -0.01732510 0.00821017  0.00429811  116 VAL   A HG22 
68   H  HG23 . VAL   A 4   ? 0.10221568 0.41226113 0.25018603 -0.01704894 0.00873133  0.00463066  116 VAL   A HG23 
69   N  N    . PRO   A 5   ? 0.07017840 0.37557393 0.23248845 -0.01750569 0.01067276  -0.00651395 117 PRO   A N    
70   C  CA   . PRO   A 5   ? 0.06009767 0.37006778 0.22511064 -0.01072005 0.01378818  -0.01522591 117 PRO   A CA   
71   C  C    . PRO   A 5   ? 0.02946298 0.36858952 0.21886607 -0.01286164 0.02677421  -0.02448408 117 PRO   A C    
72   O  O    . PRO   A 5   ? 0.03027583 0.37882614 0.21471065 -0.00840732 0.02842329  -0.02338985 117 PRO   A O    
73   C  CB   . PRO   A 5   ? 0.08106153 0.37764788 0.22921373 -0.01021404 0.00559790  -0.01434947 117 PRO   A CB   
74   C  CG   . PRO   A 5   ? 0.09401001 0.37912148 0.23530945 -0.01400701 0.00277528  -0.00984496 117 PRO   A CG   
75   C  CD   . PRO   A 5   ? 0.09139793 0.37753558 0.23350999 -0.01636314 0.00419036  -0.00523914 117 PRO   A CD   
76   H  HA   . PRO   A 5   ? 0.05963764 0.37135732 0.22568963 -0.01194212 0.01417176  -0.01507572 117 PRO   A HA   
77   H  HB2  . PRO   A 5   ? 0.07979149 0.37663597 0.22916299 -0.01057778 0.00671404  -0.01371163 117 PRO   A HB2  
78   H  HB3  . PRO   A 5   ? 0.08115775 0.37661523 0.22919832 -0.01062949 0.00653061  -0.01369993 117 PRO   A HB3  
79   H  HG2  . PRO   A 5   ? 0.09287962 0.37864333 0.23441680 -0.01419829 0.00283557  -0.00945983 117 PRO   A HG2  
80   H  HG3  . PRO   A 5   ? 0.09281965 0.37861365 0.23431306 -0.01415727 0.00329643  -0.00983092 117 PRO   A HG3  
81   H  HD2  . PRO   A 5   ? 0.09130276 0.37730867 0.23350683 -0.01608242 0.00463860  -0.00588371 117 PRO   A HD2  
82   H  HD3  . PRO   A 5   ? 0.08922275 0.37752295 0.23340908 -0.01640489 0.00501351  -0.00577107 117 PRO   A HD3  
83   N  N    . TYR   A 6   ? 0.01069998 0.35551423 0.22288279 -0.00548447 0.02684788  -0.03040752 118 TYR   A N    
84   C  CA   . TYR   A 6   ? 0.02415213 0.35159051 0.22804555 -0.00279287 0.03363936  -0.03632158 118 TYR   A CA   
85   C  C    . TYR   A 6   ? 0.01904086 0.35077518 0.22860453 -0.00656512 0.05286398  -0.04084089 118 TYR   A C    
86   O  O    . TYR   A 6   ? 0.01699591 0.35075849 0.24404155 -0.00703620 0.05029873  -0.04555506 118 TYR   A O    
87   C  CB   . TYR   A 6   ? 0.04368259 0.35422575 0.23994948 0.00377094  0.02562860  -0.02902966 118 TYR   A CB   
88   C  CG   . TYR   A 6   ? 0.06100319 0.36269158 0.26043987 0.01303950  0.02466571  -0.02294666 118 TYR   A CG   
89   C  CD1  . TYR   A 6   ? 0.06743328 0.37466305 0.29002434 0.02126653  0.03753272  -0.01339331 118 TYR   A CD1  
90   C  CD2  . TYR   A 6   ? 0.06556033 0.36527187 0.26279843 0.01013227  0.02328061  -0.02051678 118 TYR   A CD2  
91   C  CE1  . TYR   A 6   ? 0.09719674 0.37855542 0.30435699 0.03049406  0.03464813  -0.01057989 118 TYR   A CE1  
92   C  CE2  . TYR   A 6   ? 0.08002064 0.36755586 0.27422386 0.01098226  0.02096604  -0.01608267 118 TYR   A CE2  
93   C  CZ   . TYR   A 6   ? 0.09020498 0.37903476 0.29771423 0.03258841  0.03716183  -0.01162831 118 TYR   A CZ   
94   O  OH   . TYR   A 6   ? 0.15808603 0.39163083 0.33965170 0.05315236  0.02812100  0.00113639  118 TYR   A OH   
95   H  H    . TYR   A 6   ? 0.01209513 0.35716259 0.22173032 -0.00600979 0.02823063  -0.03028569 118 TYR   A H    
96   H  HA   . TYR   A 6   ? 0.02423935 0.35234356 0.22814509 -0.00296063 0.03375448  -0.03536055 118 TYR   A HA   
97   H  HB2  . TYR   A 6   ? 0.04318976 0.35431242 0.24049699 0.00391484  0.02655314  -0.02932515 118 TYR   A HB2  
98   H  HB3  . TYR   A 6   ? 0.04394033 0.35458535 0.24053048 0.00405768  0.02605055  -0.02922904 118 TYR   A HB3  
99   H  HD1  . TYR   A 6   ? 0.07137301 0.37261164 0.28625792 0.02107043  0.03460285  -0.01408682 118 TYR   A HD1  
100  H  HD2  . TYR   A 6   ? 0.06594778 0.36500525 0.26342911 0.01104326  0.02345829  -0.02038040 118 TYR   A HD2  
101  H  HE1  . TYR   A 6   ? 0.09738629 0.37799037 0.30073947 0.02918190  0.03522161  -0.01102136 118 TYR   A HE1  
102  H  HE2  . TYR   A 6   ? 0.07804837 0.36808962 0.27429920 0.01389346  0.02433612  -0.01565943 118 TYR   A HE2  
103  H  HH   . TYR   A 6   ? 0.36399633 0.36399633 0.36399633 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
104  N  N    A ASN   A 7   ? 0.04313276 0.35126764 0.23838116 0.00065944  0.04097461  -0.04431374 119 ASN   A N    
105  N  N    B ASN   A 7   ? 0.04006971 0.35067987 0.23586604 -0.00298051 0.03977806  -0.04772065 119 ASN   A N    
106  C  CA   A ASN   A 7   ? 0.05141203 0.35318339 0.24505199 0.00168949  0.03172380  -0.04444690 119 ASN   A CA   
107  C  CA   B ASN   A 7   ? 0.04661896 0.35441381 0.24035734 -0.00310914 0.03206734  -0.04995316 119 ASN   A CA   
108  C  C    A ASN   A 7   ? 0.03176928 0.35484719 0.24981849 0.01144621  0.02845083  -0.04876027 119 ASN   A C    
109  C  C    B ASN   A 7   ? 0.03153812 0.35390764 0.24485184 0.00455986  0.02444736  -0.05297714 119 ASN   A C    
110  O  O    A ASN   A 7   ? 0.04103873 0.35960978 0.26078320 0.02708772  0.03252406  -0.04452331 119 ASN   A O    
111  O  O    B ASN   A 7   ? 0.03207225 0.35286218 0.24196059 0.00778437  0.02265598  -0.05546362 119 ASN   A O    
112  C  CB   A ASN   A 7   ? 0.08376748 0.36088610 0.25030166 -0.00365917 0.02473340  -0.03979168 119 ASN   A CB   
113  C  CB   B ASN   A 7   ? 0.06868470 0.36273706 0.24332879 -0.00568379 0.03450016  -0.04864389 119 ASN   A CB   
114  C  CG   A ASN   A 7   ? 0.10309383 0.36344320 0.25209588 -0.00442821 0.01288321  -0.03049414 119 ASN   A CG   
115  C  CG   B ASN   A 7   ? 0.09098088 0.37164724 0.25407135 -0.01301362 0.02136539  -0.04782418 119 ASN   A CG   
116  O  OD1  A ASN   A 7   ? 0.13535716 0.37015814 0.26760304 -0.01295431 0.00400975  -0.01685872 119 ASN   A OD1  
117  O  OD1  B ASN   A 7   ? 0.09846298 0.37966901 0.26082128 -0.02101375 0.02525168  -0.04210003 119 ASN   A OD1  
118  N  ND2  A ASN   A 7   ? 0.10729541 0.36282957 0.24459235 -0.00739798 0.01359524  -0.02651244 119 ASN   A ND2  
119  N  ND2  B ASN   A 7   ? 0.11632457 0.38083279 0.26781750 -0.00558210 0.02299838  -0.03894361 119 ASN   A ND2  
120  H  H    A ASN   A 7   ? 0.04468086 0.35132432 0.23712763 -0.00042413 0.04256276  -0.04356024 119 ASN   A H    
121  H  H    B ASN   A 7   ? 0.04155960 0.35097694 0.23491122 -0.00384251 0.04131989  -0.04668010 119 ASN   A H    
122  H  HA   A ASN   A 7   ? 0.05186295 0.35374212 0.24510603 0.00259909  0.03197179  -0.04432647 119 ASN   A HA   
123  H  HA   B ASN   A 7   ? 0.04724092 0.35446137 0.24014772 -0.00206386 0.03281169  -0.04982531 119 ASN   A HA   
124  H  HB2  A ASN   A 7   ? 0.08263897 0.35979384 0.24969549 -0.00247176 0.02414647  -0.03919715 119 ASN   A HB2  
125  H  HB2  B ASN   A 7   ? 0.06841752 0.36220783 0.24427865 -0.00653502 0.03246484  -0.04901470 119 ASN   A HB2  
126  H  HB3  A ASN   A 7   ? 0.08180131 0.35987645 0.24966858 -0.00249514 0.02428310  -0.03910976 119 ASN   A HB3  
127  H  HB3  B ASN   A 7   ? 0.06818455 0.36193597 0.24426039 -0.00628506 0.03259085  -0.04909614 119 ASN   A HB3  
128  H  HD21 A ASN   A 7   ? 0.10701478 0.36269504 0.24527685 -0.00655120 0.01378550  -0.02710772 119 ASN   A HD21 
129  H  HD21 B ASN   A 7   ? 0.11240213 0.37989253 0.26495886 -0.00617940 0.02295817  -0.04060641 119 ASN   A HD21 
130  H  HD22 A ASN   A 7   ? 0.10761113 0.36274642 0.24528910 -0.00667685 0.01382002  -0.02712792 119 ASN   A HD22 
131  H  HD22 B ASN   A 7   ? 0.11522118 0.37922370 0.26519287 -0.00563105 0.02393541  -0.03987479 119 ASN   A HD22 
132  N  N    . LEU   A 8   ? 0.02662771 0.35220951 0.24830218 0.01262616  0.02172378  -0.04915329 120 LEU   A N    
133  C  CA   . LEU   A 8   ? 0.03722851 0.35512513 0.25231093 0.01995133  0.00336349  -0.04817963 120 LEU   A CA   
134  C  C    . LEU   A 8   ? 0.04006934 0.35415667 0.24219675 0.03080074  -0.00021516 -0.04439663 120 LEU   A C    
135  O  O    . LEU   A 8   ? 0.04304671 0.34947687 0.22866638 0.02645073  -0.00631145 -0.04695107 120 LEU   A O    
136  C  CB   . LEU   A 8   ? 0.05302503 0.35732287 0.24985059 0.01737329  -0.00909365 -0.04787119 120 LEU   A CB   
137  C  CG   . LEU   A 8   ? 0.07280481 0.35970944 0.26077372 0.01832637  -0.01588293 -0.04668238 120 LEU   A CG   
138  C  CD1  . LEU   A 8   ? 0.07487921 0.37038523 0.26390523 0.02633245  -0.01553567 -0.04343759 120 LEU   A CD1  
139  C  CD2  . LEU   A 8   ? 0.09419731 0.36260992 0.25591046 0.02002358  -0.01618583 -0.04456128 120 LEU   A CD2  
140  H  H    . LEU   A 8   ? 0.02701957 0.35265917 0.24827932 0.01271158  0.02163410  -0.04981744 120 LEU   A H    
141  H  HA   . LEU   A 8   ? 0.03735948 0.35514224 0.25034785 0.02060273  0.00420690  -0.04773376 120 LEU   A HA   
142  H  HB2  . LEU   A 8   ? 0.05380891 0.35666227 0.25150210 0.01770818  -0.00850127 -0.04796866 120 LEU   A HB2  
143  H  HB3  . LEU   A 8   ? 0.05347753 0.35663247 0.25136113 0.01823500  -0.00851251 -0.04756933 120 LEU   A HB3  
144  H  HG   . LEU   A 8   ? 0.07263045 0.36026531 0.25900650 0.01940793  -0.01494218 -0.04636630 120 LEU   A HG   
145  H  HD11 . LEU   A 8   ? 0.07447927 0.36831087 0.26372105 0.02485873  -0.01555963 -0.04390434 120 LEU   A HD11 
146  H  HD12 . LEU   A 8   ? 0.07470769 0.36864293 0.26361191 0.02485620  -0.01552276 -0.04398198 120 LEU   A HD12 
147  H  HD13 . LEU   A 8   ? 0.07478307 0.36900258 0.26390612 0.02510779  -0.01537919 -0.04341571 120 LEU   A HD13 
148  H  HD21 . LEU   A 8   ? 0.09414026 0.36172414 0.25717300 0.01974289  -0.01634616 -0.04476856 120 LEU   A HD21 
149  H  HD22 . LEU   A 8   ? 0.09121205 0.36179578 0.25724113 0.01978651  -0.01624623 -0.04463840 120 LEU   A HD22 
150  H  HD23 . LEU   A 8   ? 0.09125580 0.36167526 0.25759518 0.01979172  -0.01638408 -0.04488233 120 LEU   A HD23 
151  N  N    . PRO   A 9   ? 0.04138217 0.36478376 0.24311687 0.04085246  -0.00123155 -0.04127567 121 PRO   A N    
152  C  CA   . PRO   A 9   ? 0.05196175 0.36444700 0.23573856 0.04545843  -0.00088406 -0.03898495 121 PRO   A CA   
153  C  C    . PRO   A 9   ? 0.04827643 0.35708815 0.21348189 0.05269009  -0.00928475 -0.03802996 121 PRO   A C    
154  O  O    . PRO   A 9   ? 0.06675821 0.36263424 0.21460506 0.05094007  -0.01992805 -0.04144571 121 PRO   A O    
155  C  CB   . PRO   A 9   ? 0.05959556 0.37248069 0.24888565 0.04842135  0.00714062  -0.04193661 121 PRO   A CB   
156  C  CG   . PRO   A 9   ? 0.05065339 0.38136756 0.25893486 0.04394241  0.00578799  -0.04186971 121 PRO   A CG   
157  C  CD   . PRO   A 9   ? 0.04241537 0.37622780 0.25737095 0.03683081  0.00233578  -0.04138120 121 PRO   A CD   
158  H  HA   . PRO   A 9   ? 0.05130358 0.36414587 0.23500383 0.04621819  -0.00066316 -0.03966796 121 PRO   A HA   
159  H  HB2  . PRO   A 9   ? 0.05731554 0.37255269 0.24817453 0.04736222  0.00590337  -0.04148335 121 PRO   A HB2  
160  H  HB3  . PRO   A 9   ? 0.05816656 0.37313086 0.24902757 0.04736292  0.00613602  -0.04149746 121 PRO   A HB3  
161  H  HG2  . PRO   A 9   ? 0.05182266 0.37921250 0.25762236 0.04435179  0.00557036  -0.04173487 121 PRO   A HG2  
162  H  HG3  . PRO   A 9   ? 0.05149848 0.37962514 0.25806725 0.04373962  0.00570369  -0.04206469 121 PRO   A HG3  
163  H  HD2  . PRO   A 9   ? 0.04392407 0.37507337 0.25604969 0.03833018  0.00280433  -0.04168892 121 PRO   A HD2  
164  H  HD3  . PRO   A 9   ? 0.04372556 0.37485659 0.25543779 0.03814153  0.00278291  -0.04159026 121 PRO   A HD3  
165  N  N    . LEU   A 10  ? 0.03670364 0.35071576 0.19998142 0.06194448  -0.01278201 -0.02963269 122 LEU   A N    
166  C  CA   . LEU   A 10  ? 0.05484482 0.34609854 0.19423586 0.05806190  -0.01756136 -0.02442470 122 LEU   A CA   
167  C  C    . LEU   A 10  ? 0.04940730 0.34964859 0.18999557 0.06242691  -0.02276935 -0.02271237 122 LEU   A C    
168  O  O    . LEU   A 10  ? 0.03551419 0.33755082 0.18124296 0.04452373  -0.00679537 -0.01735445 122 LEU   A O    
169  C  CB   . LEU   A 10  ? 0.05643076 0.33655244 0.18914884 0.05331632  -0.01226537 -0.02312342 122 LEU   A CB   
170  C  CG   . LEU   A 10  ? 0.06003524 0.33257240 0.18988860 0.04228367  -0.00138454 -0.02255845 122 LEU   A CG   
171  C  CD1  . LEU   A 10  ? 0.05787932 0.32826018 0.18765174 0.03774250  0.00275603  -0.02268110 122 LEU   A CD1  
172  C  CD2  . LEU   A 10  ? 0.07903922 0.33523893 0.18926847 0.04221115  -0.00216557 -0.02068151 122 LEU   A CD2  
173  H  H    . LEU   A 10  ? 0.04232173 0.35102874 0.20021041 0.05933015  -0.01347650 -0.02980337 122 LEU   A H    
174  H  HA   . LEU   A 10  ? 0.05298336 0.34634995 0.19408539 0.05847830  -0.01705797 -0.02499759 122 LEU   A HA   
175  H  HB2  . LEU   A 10  ? 0.05689552 0.33664590 0.18891166 0.05197325  -0.01200980 -0.02303728 122 LEU   A HB2  
176  H  HB3  . LEU   A 10  ? 0.05729268 0.33704644 0.18978435 0.05230979  -0.01166728 -0.02323682 122 LEU   A HB3  
177  H  HG   . LEU   A 10  ? 0.06154468 0.33232337 0.18929897 0.04295705  -0.00210503 -0.02219835 122 LEU   A HG   
178  H  HD11 . LEU   A 10  ? 0.05864488 0.32841736 0.18799515 0.03842895  0.00213321  -0.02267132 122 LEU   A HD11 
179  H  HD12 . LEU   A 10  ? 0.05852675 0.32814223 0.18801129 0.03828236  0.00195456  -0.02267309 122 LEU   A HD12 
180  H  HD13 . LEU   A 10  ? 0.05850966 0.32813162 0.18790032 0.03824617  0.00215138  -0.02251609 122 LEU   A HD13 
181  H  HD21 . LEU   A 10  ? 0.07893030 0.33478481 0.18960607 0.04218298  -0.00229052 -0.02105189 122 LEU   A HD21 
182  H  HD22 . LEU   A 10  ? 0.07620753 0.33467889 0.18953082 0.04234018  -0.00212242 -0.02107446 122 LEU   A HD22 
183  H  HD23 . LEU   A 10  ? 0.07612451 0.33469588 0.18954290 0.04222763  -0.00206951 -0.02083468 122 LEU   A HD23 
184  N  N    . PRO   A 11  ? 0.06018850 0.35760760 0.20335047 0.07245395  -0.02362230 -0.02251720 123 PRO   A N    
185  C  CA   . PRO   A 11  ? 0.06796104 0.36119902 0.19240320 0.07233281  -0.01765770 -0.01792325 123 PRO   A CA   
186  C  C    . PRO   A 11  ? 0.07367681 0.36526382 0.18847790 0.07414235  0.00572638  -0.00971506 123 PRO   A C    
187  O  O    . PRO   A 11  ? 0.11756535 0.41004282 0.16368237 0.09542964  0.01048769  -0.01638646 123 PRO   A O    
188  C  CB   . PRO   A 11  ? 0.07223234 0.36110920 0.20902671 0.07497068  -0.02600169 -0.02041968 123 PRO   A CB   
189  C  CG   . PRO   A 11  ? 0.08111133 0.36230940 0.20748886 0.06811108  -0.02746499 -0.01925263 123 PRO   A CG   
190  C  CD   . PRO   A 11  ? 0.07781817 0.36321723 0.20771387 0.06968381  -0.03467652 -0.02326858 123 PRO   A CD   
191  H  HA   . PRO   A 11  ? 0.06836934 0.36101705 0.19441098 0.07299297  -0.01604771 -0.01693496 123 PRO   A HA   
192  H  HB2  . PRO   A 11  ? 0.07365653 0.36158645 0.20657659 0.07369497  -0.02470475 -0.01999858 123 PRO   A HB2  
193  H  HB3  . PRO   A 11  ? 0.07378832 0.36133820 0.20767339 0.07354502  -0.02553559 -0.01985610 123 PRO   A HB3  
194  H  HG2  . PRO   A 11  ? 0.08084445 0.36212319 0.20807122 0.06896091  -0.02787756 -0.02034007 123 PRO   A HG2  
195  H  HG3  . PRO   A 11  ? 0.07967716 0.36171359 0.20751795 0.06920864  -0.02813675 -0.01986768 123 PRO   A HG3  
196  H  HD2  . PRO   A 11  ? 0.07622585 0.36248392 0.20810266 0.07011213  -0.03170007 -0.02325080 123 PRO   A HD2  
197  H  HD3  . PRO   A 11  ? 0.07487936 0.36212754 0.20709433 0.07003043  -0.03127954 -0.02301105 123 PRO   A HD3  
198  N  N    . GLY   A 12  ? 0.05204885 0.35385907 0.19630313 0.06017448  0.01188293  0.00359184  124 GLY   A N    
199  C  CA   . GLY   A 12  ? 0.07288592 0.35366458 0.21704745 0.05134474  0.02877277  0.01219803  124 GLY   A CA   
200  C  C    . GLY   A 12  ? 0.06837352 0.35113829 0.23450311 0.05167143  0.03471904  0.02404204  124 GLY   A C    
201  O  O    . GLY   A 12  ? 0.06701703 0.35945475 0.27652574 0.05227232  0.04250554  0.03692415  124 GLY   A O    
202  H  H    . GLY   A 12  ? 0.05997831 0.35533684 0.19703741 0.06142968  0.01341980  0.00323120  124 GLY   A H    
203  H  HA2  . GLY   A 12  ? 0.06813018 0.35318625 0.21651670 0.05282659  0.02718946  0.01269505  124 GLY   A HA2  
204  H  HA3  . GLY   A 12  ? 0.06839183 0.35399604 0.21561362 0.05258926  0.02699713  0.01193302  124 GLY   A HA3  
205  N  N    . GLY   A 13  ? 0.05854996 0.34738106 0.22928281 0.04453856  0.04774363  0.02501274  125 GLY   A N    
206  C  CA   . GLY   A 13  ? 0.06368151 0.34210032 0.22151430 0.04322451  0.04731647  0.02264643  125 GLY   A CA   
207  C  C    . GLY   A 13  ? 0.05726375 0.33599609 0.22057480 0.03293069  0.04105660  0.02214000  125 GLY   A C    
208  O  O    . GLY   A 13  ? 0.07442233 0.37525243 0.22686291 0.04008573  0.03297713  0.03491186  125 GLY   A O    
209  H  H    . GLY   A 13  ? 0.05979492 0.34612304 0.22797614 0.04466668  0.04564496  0.02456694  125 GLY   A H    
210  H  HA2  . GLY   A 13  ? 0.06263437 0.34153289 0.22209950 0.04158182  0.04619567  0.02270276  125 GLY   A HA2  
211  H  HA3  . GLY   A 13  ? 0.06402944 0.34118164 0.22268155 0.04141992  0.04709321  0.02277498  125 GLY   A HA3  
212  N  N    . VAL   A 14  ? 0.04722768 0.31953645 0.20626704 0.01473491  0.03263022  0.01904606  126 VAL   A N    
213  C  CA   . VAL   A 14  ? 0.03851540 0.30869734 0.20082097 0.00215623  0.02770512  0.01370617  126 VAL   A CA   
214  C  C    . VAL   A 14  ? 0.05664302 0.30722433 0.20130016 -0.00363228 0.02324379  0.00838763  126 VAL   A C    
215  O  O    . VAL   A 14  ? 0.06191249 0.31429666 0.21058595 -0.00905524 0.01580094  0.00665115  126 VAL   A O    
216  C  CB   . VAL   A 14  ? 0.04325681 0.30447108 0.20205131 -0.00247921 0.02539635  0.01229902  126 VAL   A CB   
217  C  CG1  . VAL   A 14  ? 0.04587325 0.30566317 0.19944935 -0.00575814 0.02472490  0.01242345  126 VAL   A CG1  
218  C  CG2  . VAL   A 14  ? 0.03628429 0.30378622 0.20428254 -0.00375375 0.03202948  0.01186896  126 VAL   A CG2  
219  H  H    . VAL   A 14  ? 0.04685314 0.31976074 0.20703252 0.01571807  0.03314326  0.01873506  126 VAL   A H    
220  H  HA   . VAL   A 14  ? 0.04085834 0.31004459 0.20136623 0.00307572  0.02625760  0.01400725  126 VAL   A HA   
221  H  HB   . VAL   A 14  ? 0.04238227 0.30480379 0.20184399 -0.00238488 0.02644072  0.01224853  126 VAL   A HB   
222  H  HG11 . VAL   A 14  ? 0.04599559 0.30520296 0.19953990 -0.00508676 0.02457795  0.01249064  126 VAL   A HG11 
223  H  HG12 . VAL   A 14  ? 0.04644261 0.30515689 0.19970654 -0.00513815 0.02431546  0.01246024  126 VAL   A HG12 
224  H  HG13 . VAL   A 14  ? 0.04605504 0.30524760 0.19981176 -0.00526530 0.02448728  0.01252676  126 VAL   A HG13 
225  H  HG21 . VAL   A 14  ? 0.03809948 0.30325687 0.20387819 -0.00350958 0.03071029  0.01189001  126 VAL   A HG21 
226  H  HG22 . VAL   A 14  ? 0.03821394 0.30309981 0.20381591 -0.00382691 0.03077970  0.01183015  126 VAL   A HG22 
227  H  HG23 . VAL   A 14  ? 0.03816736 0.30350441 0.20406213 -0.00341013 0.03070616  0.01195125  126 VAL   A HG23 
228  N  N    . VAL   A 15  ? 0.05739852 0.30680603 0.19743359 -0.01171935 0.01683103  0.00471008  127 VAL   A N    
229  C  CA   . VAL   A 15  ? 0.06712964 0.30676454 0.19925150 -0.01510393 0.01746519  0.00030950  127 VAL   A CA   
230  C  C    . VAL   A 15  ? 0.06093489 0.30621278 0.19977522 -0.01747787 0.01716939  -0.00275381 127 VAL   A C    
231  O  O    . VAL   A 15  ? 0.03649911 0.30733836 0.19626163 -0.01424289 0.02159447  -0.00437628 127 VAL   A O    
232  C  CB   . VAL   A 15  ? 0.09087794 0.31246006 0.20929343 -0.00605854 0.02323314  -0.00120152 127 VAL   A CB   
233  C  CG1  . VAL   A 15  ? 0.09503087 0.31012118 0.20495707 -0.00362385 0.02351652  -0.00119003 127 VAL   A CG1  
234  C  CG2  . VAL   A 15  ? 0.10131793 0.31523919 0.22202678 -0.00595357 0.01953258  -0.00209475 127 VAL   A CG2  
235  H  H    . VAL   A 15  ? 0.05849431 0.30637175 0.19769493 -0.01087447 0.01780752  0.00440981  127 VAL   A H    
236  H  HA   . VAL   A 15  ? 0.06725568 0.30699009 0.19980539 -0.01412338 0.01735634  0.00020953  127 VAL   A HA   
237  H  HB   . VAL   A 15  ? 0.08936673 0.31171632 0.20860539 -0.00679583 0.02207838  -0.00108242 127 VAL   A HB   
238  H  HG11 . VAL   A 15  ? 0.09424666 0.31015342 0.20514156 -0.00414236 0.02365067  -0.00120085 127 VAL   A HG11 
239  H  HG12 . VAL   A 15  ? 0.09454896 0.31022906 0.20547290 -0.00398003 0.02359562  -0.00120355 127 VAL   A HG12 
240  H  HG13 . VAL   A 15  ? 0.09467100 0.31004155 0.20549265 -0.00396403 0.02364773  -0.00119737 127 VAL   A HG13 
241  H  HG21 . VAL   A 15  ? 0.10044786 0.31458002 0.21991111 -0.00625182 0.02027398  -0.00181548 127 VAL   A HG21 
242  H  HG22 . VAL   A 15  ? 0.10046129 0.31431502 0.22013004 -0.00598558 0.02051361  -0.00183215 127 VAL   A HG22 
243  H  HG23 . VAL   A 15  ? 0.09989012 0.31426519 0.22120628 -0.00610619 0.01978855  -0.00193846 127 VAL   A HG23 
244  N  N    . PRO   A 16  ? 0.05995644 0.30968356 0.19688535 -0.02122170 0.01424328  -0.00535051 128 PRO   A N    
245  C  CA   . PRO   A 16  ? 0.06359640 0.31202686 0.19964324 -0.02217172 0.01529975  -0.00216898 128 PRO   A CA   
246  C  C    . PRO   A 16  ? 0.05612022 0.31379467 0.20412889 -0.01897519 0.01975088  0.00153661  128 PRO   A C    
247  O  O    . PRO   A 16  ? 0.07204869 0.31736588 0.21361138 -0.01071096 0.01559573  0.00078831  128 PRO   A O    
248  C  CB   . PRO   A 16  ? 0.06359504 0.31456494 0.20448434 -0.02461574 0.01494939  -0.00337924 128 PRO   A CB   
249  C  CG   . PRO   A 16  ? 0.06469468 0.30962449 0.20332776 -0.02323670 0.01452939  -0.00469002 128 PRO   A CG   
250  C  CD   . PRO   A 16  ? 0.06380887 0.30920494 0.20248491 -0.02394353 0.01327120  -0.00643277 128 PRO   A CD   
251  H  HA   . PRO   A 16  ? 0.06229960 0.31200629 0.20017749 -0.02193043 0.01561330  -0.00220045 128 PRO   A HA   
252  H  HB2  . PRO   A 16  ? 0.06410434 0.31371379 0.20357780 -0.02425175 0.01493178  -0.00347278 128 PRO   A HB2  
253  H  HB3  . PRO   A 16  ? 0.06429969 0.31342220 0.20365147 -0.02421151 0.01474299  -0.00336248 128 PRO   A HB3  
254  H  HG2  . PRO   A 16  ? 0.06498906 0.30973452 0.20320657 -0.02344001 0.01440659  -0.00478530 128 PRO   A HG2  
255  H  HG3  . PRO   A 16  ? 0.06497588 0.30958444 0.20309676 -0.02342885 0.01435592  -0.00473483 128 PRO   A HG3  
256  H  HD2  . PRO   A 16  ? 0.06401819 0.30916375 0.20187591 -0.02336385 0.01374848  -0.00603980 128 PRO   A HD2  
257  H  HD3  . PRO   A 16  ? 0.06374524 0.30914485 0.20194200 -0.02343528 0.01378620  -0.00623060 128 PRO   A HD3  
258  N  N    . ARG   A 17  ? 0.05921581 0.32013744 0.20553190 -0.02144108 0.02294038  0.00211178  129 ARG   A N    
259  C  CA   . ARG   A 17  ? 0.07251560 0.32867873 0.21431382 -0.02002329 0.01465916  0.00542158  129 ARG   A CA   
260  C  C    . ARG   A 17  ? 0.06316900 0.32617646 0.20797315 -0.01538982 0.01167875  0.00396291  129 ARG   A C    
261  O  O    . ARG   A 17  ? 0.08032872 0.33841830 0.20129618 -0.01536422 0.00606880  0.01205155  129 ARG   A O    
262  C  CB   . ARG   A 17  ? 0.10946304 0.33704090 0.22826418 -0.01701424 0.01201551  0.00750231  129 ARG   A CB   
263  C  CG   . ARG   A 17  ? 0.14102395 0.35276896 0.25122201 -0.02495784 0.02230286  0.01516626  129 ARG   A CG   
264  C  CD   . ARG   A 17  ? 0.17809741 0.36885273 0.27185106 -0.01578285 0.01781293  0.02096644  129 ARG   A CD   
265  N  NE   . ARG   A 17  ? 0.21941820 0.39664173 0.29972708 -0.00259489 0.02393400  0.01382998  129 ARG   A NE   
266  C  CZ   . ARG   A 17  ? 0.25589985 0.42116416 0.33199823 0.01486778  0.02439170  0.01416106  129 ARG   A CZ   
267  N  NH1  . ARG   A 17  ? 0.27969354 0.43869871 0.33592802 0.01915916  0.02632847  0.02181052  129 ARG   A NH1  
268  N  NH2  . ARG   A 17  ? 0.27060717 0.43869728 0.34614879 0.01905729  0.03031607  0.00613479  129 ARG   A NH2  
269  H  H    . ARG   A 17  ? 0.06092644 0.31980765 0.20637207 -0.02070612 0.02092103  0.00240869  129 ARG   A H    
270  H  HA   . ARG   A 17  ? 0.07376935 0.32795614 0.21414262 -0.01914580 0.01497402  0.00531305  129 ARG   A HA   
271  H  HB2  . ARG   A 17  ? 0.10605392 0.33688021 0.22811179 -0.01882234 0.01415003  0.00863021  129 ARG   A HB2  
272  H  HB3  . ARG   A 17  ? 0.10614301 0.33691859 0.22780479 -0.01884290 0.01404502  0.00855919  129 ARG   A HB3  
273  H  HG2  . ARG   A 17  ? 0.14084767 0.35181016 0.25008696 -0.02217131 0.01995106  0.01521452  129 ARG   A HG2  
274  H  HG3  . ARG   A 17  ? 0.14155008 0.35168302 0.25047511 -0.02185869 0.02090465  0.01501796  129 ARG   A HG3  
275  H  HD2  . ARG   A 17  ? 0.17784476 0.37008697 0.27147824 -0.01537595 0.01899407  0.01927127  129 ARG   A HD2  
276  H  HD3  . ARG   A 17  ? 0.17806508 0.36968249 0.27148229 -0.01550807 0.01933820  0.01930357  129 ARG   A HD3  
277  H  HE   . ARG   A 17  ? 0.21675171 0.39388150 0.30004156 -0.00198521 0.02388483  0.01549295  129 ARG   A HE   
278  H  HH11 . ARG   A 17  ? 0.27653533 0.43635714 0.33543468 0.01773503  0.02637230  0.02054572  129 ARG   A HH11 
279  H  HH12 . ARG   A 17  ? 0.27354616 0.43423414 0.33558422 0.01761187  0.02598577  0.02152301  129 ARG   A HH12 
280  H  HH21 . ARG   A 17  ? 0.26963502 0.43636250 0.34373039 0.01801750  0.02968210  0.00803968  129 ARG   A HH21 
281  H  HH22 . ARG   A 17  ? 0.26842523 0.43488920 0.34524691 0.01788497  0.03048340  0.00759470  129 ARG   A HH22 
282  N  N    . MET   A 18  ? 0.04125764 0.32720017 0.21009532 -0.01633400 0.00933267  0.00459136  130 MET   A N    
283  C  CA   . MET   A 18  ? 0.03541165 0.33282793 0.21284814 -0.01596134 0.00104883  0.00285038  130 MET   A CA   
284  C  C    . MET   A 18  ? 0.04549908 0.32667536 0.21955943 -0.00991474 -0.00562966 -0.00170014 130 MET   A C    
285  O  O    . MET   A 18  ? 0.04904803 0.32820183 0.21792687 -0.00380795 -0.00174479 -0.00805579 130 MET   A O    
286  C  CB   . MET   A 18  ? 0.03515254 0.35704511 0.21314484 -0.01395067 -0.00010432 0.00874266  130 MET   A CB   
287  C  CG   . MET   A 18  ? 0.04416405 0.38225842 0.21261670 -0.01920504 0.00506126  0.01625941  130 MET   A CG   
288  S  SD   . MET   A 18  ? 0.05613820 0.45311636 0.21630824 -0.02002091 0.00118507  0.03302559  130 MET   A SD   
289  C  CE   . MET   A 18  ? 0.07161170 0.44749898 0.21615817 -0.02515041 0.00827871  0.02761744  130 MET   A CE   
290  H  H    . MET   A 18  ? 0.04453055 0.32773495 0.20961192 -0.01618875 0.00806637  0.00421415  130 MET   A H    
291  H  HA   . MET   A 18  ? 0.03794240 0.33356041 0.21383119 -0.01404021 0.00062915  0.00334752  130 MET   A HA   
292  H  HB2  . MET   A 18  ? 0.03674037 0.35579091 0.21283853 -0.01491260 0.00089545  0.00915396  130 MET   A HB2  
293  H  HB3  . MET   A 18  ? 0.03613216 0.35506058 0.21280794 -0.01436848 0.00050561  0.00906318  130 MET   A HB3  
294  H  HG2  . MET   A 18  ? 0.04472744 0.38342118 0.21328515 -0.01789535 0.00415942  0.01697389  130 MET   A HG2  
295  H  HG3  . MET   A 18  ? 0.04529461 0.38432777 0.21337032 -0.01812239 0.00435423  0.01714317  130 MET   A HG3  
296  H  HE1  . MET   A 18  ? 0.07089214 0.44858366 0.21606539 -0.02421899 0.00715162  0.02798849  130 MET   A HE1  
297  H  HE2  . MET   A 18  ? 0.07013200 0.44835848 0.21606699 -0.02434956 0.00730427  0.02809612  130 MET   A HE2  
298  H  HE3  . MET   A 18  ? 0.07154626 0.44847649 0.21682675 -0.02465499 0.00746829  0.02759298  130 MET   A HE3  
299  N  N    . LEU   A 19  ? 0.03476435 0.31890249 0.23153886 -0.00239654 -0.00956840 -0.00237708 131 LEU   A N    
300  C  CA   . LEU   A 19  ? 0.04854341 0.31421971 0.25121915 -0.00305720 -0.00625754 -0.00487435 131 LEU   A CA   
301  C  C    . LEU   A 19  ? 0.02708374 0.31116813 0.25756449 -0.00247365 -0.00605345 -0.01206173 131 LEU   A C    
302  O  O    . LEU   A 19  ? 0.03072535 0.31814146 0.27671826 0.00881897  -0.00540238 -0.00407708 131 LEU   A O    
303  C  CB   . LEU   A 19  ? 0.07171943 0.32036257 0.25577974 0.00061761  -0.01103091 -0.00484920 131 LEU   A CB   
304  C  CG   . LEU   A 19  ? 0.11001597 0.32688510 0.26816642 -0.00354925 -0.01548683 -0.00849970 131 LEU   A CG   
305  C  CD1  . LEU   A 19  ? 0.11590018 0.32689035 0.27123821 -0.00154969 -0.01294560 -0.01106577 131 LEU   A CD1  
306  C  CD2  . LEU   A 19  ? 0.13424155 0.33340216 0.27229381 0.00108025  -0.02091903 -0.00815115 131 LEU   A CD2  
307  H  H    . LEU   A 19  ? 0.03675991 0.31866890 0.23212545 -0.00195257 -0.00828231 -0.00223592 131 LEU   A H    
308  H  HA   . LEU   A 19  ? 0.04851049 0.31509864 0.24946965 -0.00280818 -0.00703382 -0.00556581 131 LEU   A HA   
309  H  HB2  . LEU   A 19  ? 0.07321564 0.31988478 0.25694716 -0.00012500 -0.01077642 -0.00519384 131 LEU   A HB2  
310  H  HB3  . LEU   A 19  ? 0.07237492 0.31958520 0.25701439 0.00053962  -0.01077942 -0.00516830 131 LEU   A HB3  
311  H  HG   . LEU   A 19  ? 0.10783915 0.32651997 0.26728451 -0.00183533 -0.01495105 -0.00813780 131 LEU   A HG   
312  H  HD11 . LEU   A 19  ? 0.11460238 0.32641208 0.27089435 -0.00199490 -0.01318661 -0.01084604 131 LEU   A HD11 
313  H  HD12 . LEU   A 19  ? 0.11469463 0.32645315 0.27024424 -0.00197050 -0.01340716 -0.01068775 131 LEU   A HD12 
314  H  HD13 . LEU   A 19  ? 0.11555113 0.32660300 0.27064884 -0.00174584 -0.01349279 -0.01082345 131 LEU   A HD13 
315  H  HD21 . LEU   A 19  ? 0.13335723 0.33221310 0.27167505 0.00019767  -0.01999562 -0.00815666 131 LEU   A HD21 
316  H  HD22 . LEU   A 19  ? 0.13151541 0.33272827 0.27185029 0.00111928  -0.02021948 -0.00854371 131 LEU   A HD22 
317  H  HD23 . LEU   A 19  ? 0.13089252 0.33235139 0.27187395 0.00050259  -0.01990158 -0.00797034 131 LEU   A HD23 
318  N  N    . ILE   A 20  ? 0.02816746 0.30468446 0.25471306 -0.00843418 0.00374410  -0.01610334 132 ILE   A N    
319  C  CA   . ILE   A 20  ? 0.02526417 0.30508399 0.25506830 -0.00254563 0.01209868  -0.01898122 132 ILE   A CA   
320  C  C    . ILE   A 20  ? 0.00887904 0.30323160 0.25370353 -0.00409383 0.01950965  -0.02144736 132 ILE   A C    
321  O  O    . ILE   A 20  ? 0.01739700 0.30828130 0.26921839 0.00216119  0.02345016  -0.03296326 132 ILE   A O    
322  C  CB   . ILE   A 20  ? 0.05647805 0.32009512 0.26296121 0.00551006  0.01089009  -0.01407550 132 ILE   A CB   
323  C  CG1  . ILE   A 20  ? 0.06622820 0.32511812 0.26903361 0.01262443  0.00901206  -0.01546383 132 ILE   A CG1  
324  C  CG2  . ILE   A 20  ? 0.06356545 0.32284617 0.26999295 0.00432425  0.01060348  -0.01110800 132 ILE   A CG2  
325  C  CD1  . ILE   A 20  ? 0.07193401 0.33082414 0.27622926 0.01347421  -0.00396917 -0.01319011 132 ILE   A CD1  
326  H  H    . ILE   A 20  ? 0.02896216 0.30579948 0.25492209 -0.00568615 0.00262458  -0.01573724 132 ILE   A H    
327  H  HA   . ILE   A 20  ? 0.02618953 0.30568796 0.25568306 -0.00170486 0.01238464  -0.01836116 132 ILE   A HA   
328  H  HB   . ILE   A 20  ? 0.05627599 0.31862837 0.26325852 0.00518256  0.01061155  -0.01438060 132 ILE   A HB   
329  H  HG12 . ILE   A 20  ? 0.06515358 0.32496041 0.26887023 0.01155271  0.00767088  -0.01493062 132 ILE   A HG12 
330  H  HG13 . ILE   A 20  ? 0.06487541 0.32492423 0.26888293 0.01145714  0.00761921  -0.01506445 132 ILE   A HG13 
331  H  HG21 . ILE   A 20  ? 0.06279796 0.32233578 0.26888967 0.00467306  0.01064739  -0.01174210 132 ILE   A HG21 
332  H  HG22 . ILE   A 20  ? 0.06411567 0.32227933 0.26869029 0.00478122  0.01070705  -0.01153714 132 ILE   A HG22 
333  H  HG23 . ILE   A 20  ? 0.06242069 0.32252121 0.26883996 0.00465426  0.01073676  -0.01127953 132 ILE   A HG23 
334  H  HD11 . ILE   A 20  ? 0.07140470 0.32975256 0.27565205 0.01379937  -0.00224386 -0.01384782 132 ILE   A HD11 
335  H  HD12 . ILE   A 20  ? 0.07132953 0.33010381 0.27530706 0.01370399  -0.00174935 -0.01325269 132 ILE   A HD12 
336  H  HD13 . ILE   A 20  ? 0.07136979 0.32985419 0.27507854 0.01373730  -0.00177116 -0.01353475 132 ILE   A HD13 
337  N  N    . THR   A 21  ? 0.01048039 0.30040741 0.24267200 -0.00872719 0.02199725  -0.02103856 133 THR   A N    
338  C  CA   . THR   A 21  ? 0.02761910 0.29971051 0.23402445 -0.00773839 0.02686521  -0.01778831 133 THR   A CA   
339  C  C    . THR   A 21  ? 0.02295548 0.29716718 0.22265606 -0.00866236 0.02871973  -0.01999554 133 THR   A C    
340  O  O    . THR   A 21  ? 0.03315179 0.30237055 0.23794603 -0.00239109 0.04141311  -0.01718271 133 THR   A O    
341  C  CB   . THR   A 21  ? 0.03933308 0.30960327 0.23871011 -0.00556096 0.01929489  -0.01620159 133 THR   A CB   
342  O  OG1  . THR   A 21  ? 0.05421158 0.31361932 0.23712452 -0.00776094 0.01332094  -0.01056523 133 THR   A OG1  
343  C  CG2  . THR   A 21  ? 0.05248117 0.31189704 0.24015646 -0.00418917 0.02019292  -0.01720009 133 THR   A CG2  
344  H  H    . THR   A 21  ? 0.01276276 0.30055928 0.24337910 -0.00724054 0.02258081  -0.02079399 133 THR   A H    
345  H  HA   . THR   A 21  ? 0.02685577 0.30038571 0.23367745 -0.00762822 0.02565916  -0.01834395 133 THR   A HA   
346  H  HB   . THR   A 21  ? 0.04103157 0.30864555 0.23787367 -0.00526263 0.02019796  -0.01595619 133 THR   A HB   
347  H  HG1  . THR   A 21  ? 0.20940554 0.20940554 0.20940554 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
348  H  HG21 . THR   A 21  ? 0.05060146 0.31133604 0.24001454 -0.00455751 0.01999324  -0.01724572 133 THR   A HG21 
349  H  HG22 . THR   A 21  ? 0.05161541 0.31131357 0.23952883 -0.00454340 0.01953045  -0.01698775 133 THR   A HG22 
350  H  HG23 . THR   A 21  ? 0.05056539 0.31147939 0.23976496 -0.00420716 0.01972678  -0.01726212 133 THR   A HG23 
351  N  N    . ILE   A 22  ? 0.02011214 0.29725277 0.20685026 -0.00602497 0.03291874  -0.01836957 134 ILE   A N    
352  C  CA   . ILE   A 22  ? 0.01424764 0.30062443 0.19720513 -0.00595611 0.02921754  -0.02001273 134 ILE   A CA   
353  C  C    . ILE   A 22  ? 0.01119117 0.30362523 0.18874429 -0.00475129 0.02974670  -0.01994141 134 ILE   A C    
354  O  O    . ILE   A 22  ? 0.01277230 0.31339365 0.19758847 -0.00512109 0.03509238  -0.02522860 134 ILE   A O    
355  C  CB   . ILE   A 22  ? 0.03002264 0.30732822 0.19954008 -0.00564041 0.02214478  -0.01814993 134 ILE   A CB   
356  C  CG1  . ILE   A 22  ? 0.05182451 0.31931818 0.21033703 -0.00611148 0.01635948  -0.02285801 134 ILE   A CG1  
357  C  CG2  . ILE   A 22  ? 0.03777450 0.30607188 0.20070082 -0.00487599 0.02097305  -0.01687559 134 ILE   A CG2  
358  C  CD1  . ILE   A 22  ? 0.05888439 0.32877654 0.22762547 -0.01121772 0.01309274  -0.02298012 134 ILE   A CD1  
359  H  H    . ILE   A 22  ? 0.02105515 0.29781854 0.20708150 -0.00620889 0.03376262  -0.01898572 134 ILE   A H    
360  H  HA   . ILE   A 22  ? 0.01573864 0.30120486 0.19677436 -0.00525427 0.03006443  -0.01981311 134 ILE   A HA   
361  H  HB   . ILE   A 22  ? 0.03123633 0.30760902 0.20017588 -0.00535788 0.02280143  -0.01884997 134 ILE   A HB   
362  H  HG12 . ILE   A 22  ? 0.04915774 0.31838155 0.21078256 -0.00675969 0.01710655  -0.02204742 134 ILE   A HG12 
363  H  HG13 . ILE   A 22  ? 0.04960113 0.31858760 0.21064338 -0.00708803 0.01702828  -0.02182612 134 ILE   A HG13 
364  H  HG21 . ILE   A 22  ? 0.03710078 0.30604863 0.20031582 -0.00495378 0.02137548  -0.01695848 134 ILE   A HG21 
365  H  HG22 . ILE   A 22  ? 0.03826730 0.30600816 0.20025991 -0.00496013 0.02133749  -0.01693537 134 ILE   A HG22 
366  H  HG23 . ILE   A 22  ? 0.03686450 0.30602223 0.20027889 -0.00492844 0.02144725  -0.01687302 134 ILE   A HG23 
367  H  HD11 . ILE   A 22  ? 0.05773001 0.32752925 0.22523949 -0.01029223 0.01426350  -0.02323259 134 ILE   A HD11 
368  H  HD12 . ILE   A 22  ? 0.05809794 0.32769614 0.22527969 -0.01021668 0.01410727  -0.02250008 134 ILE   A HD12 
369  H  HD13 . ILE   A 22  ? 0.05886360 0.32794416 0.22466522 -0.01094007 0.01387751  -0.02273301 134 ILE   A HD13 
370  N  N    . LEU   A 23  ? 0.01114725 0.30538571 0.18757850 -0.00197740 0.02952052  -0.02064313 135 LEU   A N    
371  C  CA   . LEU   A 23  ? 0.01681853 0.31258029 0.18361282 0.00036924  0.02783700  -0.01961736 135 LEU   A CA   
372  C  C    . LEU   A 23  ? 0.02502414 0.31063497 0.17263572 -0.00872498 0.03263304  -0.02389099 135 LEU   A C    
373  O  O    . LEU   A 23  ? 0.01945394 0.30858767 0.18041021 -0.01319509 0.04050412  -0.02448670 135 LEU   A O    
374  C  CB   . LEU   A 23  ? 0.02450145 0.32511723 0.19934876 0.00657388  0.01885270  -0.01704458 135 LEU   A CB   
375  C  CG   . LEU   A 23  ? 0.05833206 0.33901966 0.21184637 0.00753269  0.01656236  -0.00732251 135 LEU   A CG   
376  C  CD1  . LEU   A 23  ? 0.08243640 0.34551793 0.21854015 0.02301508  0.01453360  -0.00483596 135 LEU   A CD1  
377  C  CD2  . LEU   A 23  ? 0.05438440 0.34681708 0.21862963 0.01252544  0.01845526  -0.00221613 135 LEU   A CD2  
378  H  H    . LEU   A 23  ? 0.01136503 0.30562258 0.18656449 -0.00172506 0.03008516  -0.02089006 135 LEU   A H    
379  H  HA   . LEU   A 23  ? 0.01715424 0.31248784 0.18341930 -0.00034043 0.02797229  -0.01990721 135 LEU   A HA   
380  H  HB2  . LEU   A 23  ? 0.02736224 0.32445174 0.19803336 0.00588660  0.02020667  -0.01606790 135 LEU   A HB2  
381  H  HB3  . LEU   A 23  ? 0.02752578 0.32423812 0.19795544 0.00565576  0.02029528  -0.01619192 135 LEU   A HB3  
382  H  HG   . LEU   A 23  ? 0.05500047 0.33838296 0.21116540 0.01001815  0.01697047  -0.00757460 135 LEU   A HG   
383  H  HD11 . LEU   A 23  ? 0.07821111 0.34476179 0.21832991 0.02018780  0.01431067  -0.00493605 135 LEU   A HD11 
384  H  HD12 . LEU   A 23  ? 0.07770097 0.34512436 0.21776024 0.02055240  0.01485127  -0.00534484 135 LEU   A HD12 
385  H  HD13 . LEU   A 23  ? 0.07807586 0.34520227 0.21807516 0.02094350  0.01537960  -0.00446583 135 LEU   A HD13 
386  H  HD21 . LEU   A 23  ? 0.05508789 0.34452236 0.21652737 0.01179354  0.01776590  -0.00302370 135 LEU   A HD21 
387  H  HD22 . LEU   A 23  ? 0.05597619 0.34558707 0.21757957 0.01204225  0.01831440  -0.00254418 135 LEU   A HD22 
388  H  HD23 . LEU   A 23  ? 0.05580287 0.34549475 0.21735451 0.01183090  0.01804898  -0.00302907 135 LEU   A HD23 
389  N  N    . GLY   A 24  ? 0.04663398 0.31424993 0.17450736 -0.01374935 0.04374850  -0.02785981 136 GLY   A N    
390  C  CA   . GLY   A 24  ? 0.08076824 0.31521624 0.18411662 -0.01203660 0.04646014  -0.02648030 136 GLY   A CA   
391  C  C    . GLY   A 24  ? 0.08077919 0.31585866 0.18834062 -0.01315513 0.05112036  -0.02641366 136 GLY   A C    
392  O  O    . GLY   A 24  ? 0.13681112 0.32610101 0.19005205 -0.01319583 0.06259651  -0.02408459 136 GLY   A O    
393  H  H    . GLY   A 24  ? 0.04658799 0.31378454 0.17394151 -0.01218412 0.04317343  -0.02665426 136 GLY   A H    
394  H  HA2  . GLY   A 24  ? 0.08027814 0.31513125 0.18317431 -0.01252851 0.04667352  -0.02666157 136 GLY   A HA2  
395  H  HA3  . GLY   A 24  ? 0.07568081 0.31516564 0.18342532 -0.01242719 0.04720959  -0.02676863 136 GLY   A HA3  
396  N  N    . THR   A 25  ? 0.08155196 0.31938535 0.18866201 -0.01568327 0.04508087  -0.02343779 137 THR   A N    
397  C  CA   . THR   A 25  ? 0.08207848 0.32431918 0.19735505 -0.01425547 0.03896832  -0.02859236 137 THR   A CA   
398  C  C    . THR   A 25  ? 0.07277016 0.32603967 0.18884203 -0.01352619 0.04260370  -0.03243432 137 THR   A C    
399  O  O    . THR   A 25  ? 0.07650423 0.33567053 0.18870015 -0.01209004 0.04203314  -0.02799553 137 THR   A O    
400  C  CB   . THR   A 25  ? 0.09878396 0.32710582 0.21513191 -0.01590132 0.02352847  -0.02750190 137 THR   A CB   
401  O  OG1  . THR   A 25  ? 0.12520988 0.33982706 0.23116229 -0.00880996 0.00958378  -0.02276023 137 THR   A OG1  
402  C  CG2  . THR   A 25  ? 0.10641286 0.32751334 0.22318269 -0.01647915 0.02344201  -0.02959312 137 THR   A CG2  
403  H  H    . THR   A 25  ? 0.08173948 0.31928760 0.18877630 -0.01485932 0.04547733  -0.02464018 137 THR   A H    
404  H  HA   . THR   A 25  ? 0.08262259 0.32396197 0.19649836 -0.01462623 0.03819910  -0.02824727 137 THR   A HA   
405  H  HB   . THR   A 25  ? 0.10083286 0.32803077 0.21532799 -0.01476705 0.02424345  -0.02687224 137 THR   A HB   
406  H  HG1  . THR   A 25  ? 0.25416419 0.25416419 0.25416419 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
407  H  HG21 . THR   A 25  ? 0.10594878 0.32719588 0.22185990 -0.01623224 0.02354758  -0.02933877 137 THR   A HG21 
408  H  HG22 . THR   A 25  ? 0.10535293 0.32711911 0.22213566 -0.01624976 0.02295497  -0.02956684 137 THR   A HG22 
409  H  HG23 . THR   A 25  ? 0.10523868 0.32728708 0.22179516 -0.01651454 0.02358530  -0.02959964 137 THR   A HG23 
410  N  N    . VAL   A 26  ? 0.06400471 0.32539541 0.19140206 -0.01198935 0.03060921  -0.03720343 138 VAL   A N    
411  C  CA   . VAL   A 26  ? 0.07283615 0.33078861 0.19720243 -0.00772984 0.02496311  -0.03861365 138 VAL   A CA   
412  C  C    . VAL   A 26  ? 0.08681230 0.33230871 0.21133213 -0.01034368 0.01100015  -0.04354438 138 VAL   A C    
413  O  O    . VAL   A 26  ? 0.11015666 0.33619761 0.21057910 -0.00769390 0.00023779  -0.04185224 138 VAL   A O    
414  C  CB   . VAL   A 26  ? 0.07289909 0.33865905 0.20372312 -0.00601633 0.02615156  -0.03719664 138 VAL   A CB   
415  C  CG1  . VAL   A 26  ? 0.06826656 0.34203082 0.21022305 -0.00220074 0.02275287  -0.03749246 138 VAL   A CG1  
416  C  CG2  . VAL   A 26  ? 0.07497422 0.34079915 0.21297921 -0.00882615 0.02498487  -0.03391309 138 VAL   A CG2  
417  H  H    . VAL   A 26  ? 0.06761964 0.32637864 0.19195716 -0.01146249 0.03187782  -0.03652431 138 VAL   A H    
418  H  HA   . VAL   A 26  ? 0.07407861 0.33088535 0.19816324 -0.00861819 0.02382021  -0.03900837 138 VAL   A HA   
419  H  HB   . VAL   A 26  ? 0.07246289 0.33813834 0.20404087 -0.00582249 0.02534089  -0.03703798 138 VAL   A HB   
420  H  HG11 . VAL   A 26  ? 0.07005128 0.34137058 0.20964330 -0.00275849 0.02327315  -0.03729293 138 VAL   A HG11 
421  H  HG12 . VAL   A 26  ? 0.07117946 0.34147114 0.20992543 -0.00251651 0.02252190  -0.03740750 138 VAL   A HG12 
422  H  HG13 . VAL   A 26  ? 0.06944031 0.34132683 0.20894003 -0.00267181 0.02367998  -0.03745893 138 VAL   A HG13 
423  H  HG21 . VAL   A 26  ? 0.07602181 0.34050614 0.21146876 -0.00809092 0.02566838  -0.03414977 138 VAL   A HG21 
424  H  HG22 . VAL   A 26  ? 0.07542758 0.34030753 0.21128702 -0.00839855 0.02543085  -0.03415021 138 VAL   A HG22 
425  H  HG23 . VAL   A 26  ? 0.07529650 0.34036380 0.21226126 -0.00817887 0.02536535  -0.03403162 138 VAL   A HG23 
426  N  N    . LYS   A 27  ? 0.10611735 0.33775061 0.22373404 -0.00601383 -0.00458652 -0.04283627 139 LYS   A N    
427  C  CA   . LYS   A 27  ? 0.13155422 0.34674489 0.25959510 -0.01409819 -0.01312013 -0.04304222 139 LYS   A CA   
428  C  C    . LYS   A 27  ? 0.14441651 0.34732455 0.28935373 -0.01130319 -0.02545254 -0.05136874 139 LYS   A C    
429  O  O    . LYS   A 27  ? 0.14507689 0.35238135 0.28821081 -0.01138619 -0.02220455 -0.05502006 139 LYS   A O    
430  C  CB   . LYS   A 27  ? 0.16170159 0.36027062 0.27052653 -0.01259887 -0.00986021 -0.03243559 139 LYS   A CB   
431  C  CG   . LYS   A 27  ? 0.18132119 0.37416059 0.28012234 -0.00534740 -0.00401668 -0.03122135 139 LYS   A CG   
432  C  CD   . LYS   A 27  ? 0.21641488 0.39874089 0.29547197 -0.00689749 -0.00575314 -0.01983447 139 LYS   A CD   
433  C  CE   . LYS   A 27  ? 0.23823735 0.41767198 0.32639802 0.00478323  -0.00403976 -0.02385166 139 LYS   A CE   
434  N  NZ   . LYS   A 27  ? 0.24968536 0.43709612 0.34466434 0.00670032  -0.01298614 -0.01714906 139 LYS   A NZ   
435  H  H    . LYS   A 27  ? 0.10616656 0.33751976 0.22487795 -0.00825690 -0.00282752 -0.04335743 139 LYS   A H    
436  H  HA   . LYS   A 27  ? 0.13223884 0.34698629 0.25875759 -0.01217352 -0.01327553 -0.04289350 139 LYS   A HA   
437  H  HB2  . LYS   A 27  ? 0.16014852 0.35917503 0.26953548 -0.01136178 -0.00862677 -0.03411745 139 LYS   A HB2  
438  H  HB3  . LYS   A 27  ? 0.15921940 0.35930604 0.27013630 -0.01151823 -0.00931767 -0.03434177 139 LYS   A HB3  
439  H  HG2  . LYS   A 27  ? 0.18284610 0.37488967 0.28036839 -0.00672590 -0.00517373 -0.02929704 139 LYS   A HG2  
440  H  HG3  . LYS   A 27  ? 0.18193904 0.37446666 0.27989256 -0.00667790 -0.00502680 -0.02924482 139 LYS   A HG3  
441  H  HD2  . LYS   A 27  ? 0.21440005 0.39819109 0.29768902 -0.00476495 -0.00443545 -0.02149041 139 LYS   A HD2  
442  H  HD3  . LYS   A 27  ? 0.21369055 0.39740962 0.29647595 -0.00475192 -0.00455200 -0.02171069 139 LYS   A HD3  
443  H  HE2  . LYS   A 27  ? 0.23675795 0.41816580 0.32450241 0.00383223  -0.00521979 -0.02187184 139 LYS   A HE2  
444  H  HE3  . LYS   A 27  ? 0.23735894 0.41903478 0.32665920 0.00359070  -0.00474106 -0.02201184 139 LYS   A HE3  
445  H  HZ1  . LYS   A 27  ? 0.24776061 0.43369883 0.34267253 0.00632694  -0.01118958 -0.01848636 139 LYS   A HZ1  
446  H  HZ2  . LYS   A 27  ? 0.24861805 0.43544829 0.34184754 0.00683599  -0.01127869 -0.01802226 139 LYS   A HZ2  
447  H  HZ3  . LYS   A 27  ? 0.24913923 0.43475401 0.34281266 0.00580824  -0.01207443 -0.01731798 139 LYS   A HZ3  
448  N  N    A PRO   A 28  ? 0.14500861 0.35332590 0.31850892 -0.01441378 -0.04265583 -0.05324584 140 PRO   A N    
449  N  N    B PRO   A 28  ? 0.15571809 0.35297775 0.31207073 -0.01833807 -0.02822122 -0.05142830 140 PRO   A N    
450  C  CA   A PRO   A 28  ? 0.15895286 0.35171258 0.33395177 -0.01059564 -0.04897334 -0.05458447 140 PRO   A CA   
451  C  CA   B PRO   A 28  ? 0.16536023 0.35406947 0.32164931 -0.01395677 -0.02820609 -0.05092961 140 PRO   A CA   
452  C  C    A PRO   A 28  ? 0.16786765 0.35288739 0.34756857 -0.01028771 -0.05508079 -0.04981554 140 PRO   A C    
453  C  C    B PRO   A 28  ? 0.16718309 0.35735905 0.33418506 -0.01163925 -0.02837122 -0.04393022 140 PRO   A C    
454  O  O    A PRO   A 28  ? 0.14657481 0.34568346 0.35102612 -0.00293396 -0.05891148 -0.05061594 140 PRO   A O    
455  O  O    B PRO   A 28  ? 0.16884428 0.35570592 0.33808601 0.00418356  -0.02890215 -0.03882307 140 PRO   A O    
456  C  CB   A PRO   A 28  ? 0.15707700 0.35546881 0.33633584 -0.00992254 -0.05040613 -0.05518118 140 PRO   A CB   
457  C  CB   B PRO   A 28  ? 0.16930106 0.35743147 0.32746172 -0.01729157 -0.02632150 -0.05155072 140 PRO   A CB   
458  C  CG   A PRO   A 28  ? 0.15326306 0.35395300 0.32948607 -0.01202130 -0.05150175 -0.05553788 140 PRO   A CG   
459  C  CG   B PRO   A 28  ? 0.17211358 0.35533875 0.32553756 -0.02124820 -0.02508617 -0.05106418 140 PRO   A CG   
460  C  CD   A PRO   A 28  ? 0.14642803 0.35230368 0.32490706 -0.01238944 -0.04870679 -0.05353202 140 PRO   A CD   
461  C  CD   B PRO   A 28  ? 0.16050716 0.35407454 0.31729007 -0.01964735 -0.02629371 -0.05032519 140 PRO   A CD   
462  H  HA   A PRO   A 28  ? 0.15835716 0.35254514 0.33389187 -0.01086072 -0.04918616 -0.05400115 140 PRO   A HA   
463  H  HA   B PRO   A 28  ? 0.16499013 0.35461491 0.32264507 -0.01450913 -0.02804234 -0.05020921 140 PRO   A HA   
464  H  HB2  A PRO   A 28  ? 0.15684952 0.35472298 0.33561307 -0.01040460 -0.05082648 -0.05553742 140 PRO   A HB2  
465  H  HB2  B PRO   A 28  ? 0.16941886 0.35678500 0.32682192 -0.01762947 -0.02649971 -0.05153292 140 PRO   A HB2  
466  H  HB3  A PRO   A 28  ? 0.15686373 0.35466468 0.33581263 -0.01047334 -0.05088800 -0.05535498 140 PRO   A HB3  
467  H  HB3  B PRO   A 28  ? 0.16945970 0.35662913 0.32714909 -0.01755981 -0.02640907 -0.05160916 140 PRO   A HB3  
468  H  HG2  A PRO   A 28  ? 0.15341567 0.35375243 0.33002520 -0.01190916 -0.05120052 -0.05532417 140 PRO   A HG2  
469  H  HG2  B PRO   A 28  ? 0.17102489 0.35540044 0.32538038 -0.02059226 -0.02511515 -0.05120739 140 PRO   A HG2  
470  H  HG3  A PRO   A 28  ? 0.15333642 0.35381293 0.33001709 -0.01177048 -0.05120106 -0.05531335 140 PRO   A HG3  
471  H  HG3  B PRO   A 28  ? 0.17192897 0.35528946 0.32512277 -0.02069804 -0.02524295 -0.05108048 140 PRO   A HG3  
472  H  HD2  A PRO   A 28  ? 0.14714512 0.35237759 0.32468033 -0.01263127 -0.04848052 -0.05386643 140 PRO   A HD2  
473  H  HD2  B PRO   A 28  ? 0.16128021 0.35409498 0.31714809 -0.01958233 -0.02626545 -0.05037339 140 PRO   A HD2  
474  H  HD3  A PRO   A 28  ? 0.14698026 0.35214198 0.32404935 -0.01256533 -0.04813286 -0.05370830 140 PRO   A HD3  
475  H  HD3  B PRO   A 28  ? 0.16129397 0.35395944 0.31750506 -0.01961681 -0.02660824 -0.05052881 140 PRO   A HD3  
476  N  N    A ASN   A 29  ? 0.18049872 0.36121362 0.36272043 -0.00616236 -0.04704460 -0.04798050 141 ASN   A N    
477  N  N    B ASN   A 29  ? 0.17699867 0.36506027 0.33953446 -0.01519315 -0.03458589 -0.04122859 141 ASN   A N    
478  C  CA   A ASN   A 29  ? 0.19315088 0.36887896 0.36733645 -0.00773660 -0.04751219 -0.04089870 141 ASN   A CA   
479  C  CA   B ASN   A 29  ? 0.18779097 0.37163365 0.34743702 -0.01325703 -0.03833807 -0.03696062 141 ASN   A CA   
480  C  C    A ASN   A 29  ? 0.17112210 0.36215138 0.35387820 -0.01093981 -0.04240845 -0.03387646 141 ASN   A C    
481  C  C    B ASN   A 29  ? 0.17244965 0.36535484 0.34246266 -0.01368409 -0.03651981 -0.03159320 141 ASN   A C    
482  O  O    A ASN   A 29  ? 0.16854155 0.36591566 0.36244375 -0.01077135 -0.04186624 -0.02885307 141 ASN   A O    
483  O  O    B ASN   A 29  ? 0.17622900 0.37101817 0.35290068 -0.01133335 -0.03866684 -0.02643800 141 ASN   A O    
484  C  CB   A ASN   A 29  ? 0.22532147 0.37652642 0.38959020 -0.00735484 -0.04182397 -0.03179909 141 ASN   A CB   
485  C  CB   B ASN   A 29  ? 0.21245903 0.38114136 0.36236268 -0.01497662 -0.03372721 -0.03321293 141 ASN   A CB   
486  C  CG   A ASN   A 29  ? 0.25188130 0.38849407 0.40181911 -0.00801745 -0.04638838 -0.03716302 141 ASN   A CG   
487  C  CG   B ASN   A 29  ? 0.23005921 0.39424819 0.37060171 -0.01758694 -0.03365885 -0.03960928 141 ASN   A CG   
488  O  OD1  A ASN   A 29  ? 0.25944650 0.39693493 0.42099357 -0.00811567 -0.04087227 -0.02819139 141 ASN   A OD1  
489  O  OD1  B ASN   A 29  ? 0.24565579 0.41171008 0.38094682 -0.01036267 -0.01958961 -0.03789051 141 ASN   A OD1  
490  N  ND2  A ASN   A 29  ? 0.26718467 0.39640701 0.41149956 0.00057904  -0.03931826 -0.03423987 141 ASN   A ND2  
491  N  ND2  B ASN   A 29  ? 0.24996804 0.39707822 0.37594968 -0.02180492 -0.03022142 -0.03806132 141 ASN   A ND2  
492  H  H    A ASN   A 29  ? 0.18041274 0.36060435 0.36138016 -0.00716925 -0.04882698 -0.04740956 141 ASN   A H    
493  H  H    B ASN   A 29  ? 0.17722359 0.36458457 0.34009808 -0.01451518 -0.03445113 -0.04117055 141 ASN   A H    
494  H  HA   A ASN   A 29  ? 0.19301061 0.36796057 0.36772990 -0.00803193 -0.04626831 -0.03963210 141 ASN   A HA   
495  H  HA   B ASN   A 29  ? 0.18756084 0.37102628 0.34774780 -0.01364893 -0.03738575 -0.03611204 141 ASN   A HA   
496  H  HB2  A ASN   A 29  ? 0.22501490 0.37680393 0.38859558 -0.00756509 -0.04354561 -0.03391445 141 ASN   A HB2  
497  H  HB2  B ASN   A 29  ? 0.21215843 0.38124567 0.36175567 -0.01525046 -0.03462318 -0.03468840 141 ASN   A HB2  
498  H  HB3  A ASN   A 29  ? 0.22505680 0.37679613 0.38848096 -0.00758030 -0.04351322 -0.03391986 141 ASN   A HB3  
499  H  HB3  B ASN   A 29  ? 0.21234888 0.38127416 0.36184144 -0.01532307 -0.03457637 -0.03471294 141 ASN   A HB3  
500  H  HD21 A ASN   A 29  ? 0.26797479 0.39516753 0.41059130 -0.00121844 -0.04067437 -0.03452525 141 ASN   A HD21 
501  H  HD21 B ASN   A 29  ? 0.24718748 0.39676708 0.37580228 -0.02125993 -0.03107896 -0.03848937 141 ASN   A HD21 
502  H  HD22 A ASN   A 29  ? 0.26647204 0.39588875 0.41168720 -0.00062303 -0.04016835 -0.03382748 141 ASN   A HD22 
503  H  HD22 B ASN   A 29  ? 0.24739294 0.39730626 0.37575144 -0.02112426 -0.03090964 -0.03822020 141 ASN   A HD22 
504  N  N    . ALA   A 30  ? 0.15205307 0.36058944 0.32892799 -0.01354002 -0.04190185 -0.03317174 142 ALA   A N    
505  C  CA   . ALA   A 30  ? 0.11646473 0.34747618 0.29858959 -0.00109693 -0.02834159 -0.02876681 142 ALA   A CA   
506  C  C    . ALA   A 30  ? 0.09909920 0.33569407 0.28010321 -0.00193484 -0.01196023 -0.03036849 142 ALA   A C    
507  O  O    . ALA   A 30  ? 0.08839021 0.34638822 0.27003962 0.00192456  -0.02343316 -0.03093986 142 ALA   A O    
508  C  CB   . ALA   A 30  ? 0.13179876 0.34625494 0.29553884 -0.00047743 -0.03043154 -0.03005165 142 ALA   A CB   
509  H  H    . ALA   A 30  ? 0.15242098 0.35955352 0.32931948 -0.01118387 -0.03972872 -0.03222597 142 ALA   A H    
510  H  HA   . ALA   A 30  ? 0.12044868 0.34682649 0.29864872 -0.00266350 -0.02675032 -0.02966981 142 ALA   A HA   
511  H  HB1  . ALA   A 30  ? 0.13078873 0.34623325 0.29464293 -0.00097597 -0.02942473 -0.02996545 142 ALA   A HB1  
512  H  HB2  . ALA   A 30  ? 0.12973975 0.34623986 0.29576063 -0.00074312 -0.03044473 -0.02973646 142 ALA   A HB2  
513  H  HB3  . ALA   A 30  ? 0.12951067 0.34618527 0.29551268 -0.00073537 -0.03015299 -0.02973996 142 ALA   A HB3  
514  N  N    . ASN   A 31  ? 0.06166813 0.32498747 0.27362084 0.00467372  -0.00466967 -0.02694836 143 ASN   A N    
515  C  CA   . ASN   A 31  ? 0.06522860 0.32280421 0.27230388 0.01060892  -0.00425348 -0.02437132 143 ASN   A CA   
516  C  C    . ASN   A 31  ? 0.05865399 0.31643164 0.26319695 0.01016314  0.00062398  -0.02435171 143 ASN   A C    
517  O  O    . ASN   A 31  ? 0.05508564 0.31635487 0.24864908 0.00706597  -0.01269626 -0.02051094 143 ASN   A O    
518  C  CB   . ASN   A 31  ? 0.09654055 0.33257735 0.28871363 0.01558030  0.00117860  -0.01697949 143 ASN   A CB   
519  C  CG   . ASN   A 31  ? 0.13836275 0.33937746 0.31504303 0.01818372  0.00613458  -0.02004202 143 ASN   A CG   
520  O  OD1  . ASN   A 31  ? 0.19810571 0.35919946 0.33703172 0.02934748  0.02842267  -0.02339764 143 ASN   A OD1  
521  N  ND2  . ASN   A 31  ? 0.16079597 0.34913850 0.33360052 0.01179457  0.01738274  -0.01562786 143 ASN   A ND2  
522  H  H    . ASN   A 31  ? 0.06700227 0.32604253 0.27272838 0.00570333  -0.00371863 -0.02791822 143 ASN   A H    
523  H  HA   . ASN   A 31  ? 0.06860073 0.32343239 0.27263689 0.01078490  -0.00252825 -0.02397427 143 ASN   A HA   
524  H  HB2  . ASN   A 31  ? 0.09699504 0.33159035 0.28926313 0.01522938  0.00134574  -0.01798128 143 ASN   A HB2  
525  H  HB3  . ASN   A 31  ? 0.09648171 0.33137679 0.28875691 0.01526333  0.00132303  -0.01812918 143 ASN   A HB3  
526  H  HD21 . ASN   A 31  ? 0.15574899 0.34731030 0.33022118 0.01252834  0.01393664  -0.01541770 143 ASN   A HD21 
527  H  HD22 . ASN   A 31  ? 0.15603022 0.34784764 0.32988036 0.01346155  0.01478626  -0.01599202 143 ASN   A HD22 
528  N  N    . ARG   A 32  ? 0.04627481 0.31441545 0.25606191 0.00569774  0.00222745  -0.02618293 144 ARG   A N    
529  C  CA   . ARG   A 32  ? 0.05502215 0.31463528 0.26419556 0.00529679  0.00457756  -0.03096958 144 ARG   A CA   
530  C  C    . ARG   A 32  ? 0.03524741 0.31118178 0.25254679 0.00001021  0.00773652  -0.03643645 144 ARG   A C    
531  O  O    . ARG   A 32  ? 0.03299224 0.31907338 0.26031011 0.00212033  0.02072833  -0.03297767 144 ARG   A O    
532  C  CB   . ARG   A 32  ? 0.09636717 0.33060294 0.27585375 0.00230476  -0.00521510 -0.03176609 144 ARG   A CB   
533  C  CG   . ARG   A 32  ? 0.12336867 0.34762138 0.29206175 0.00047946  0.00435587  -0.02658464 144 ARG   A CG   
534  C  CD   . ARG   A 32  ? 0.16832846 0.36515343 0.30745804 0.00547792  0.00109834  -0.01904843 144 ARG   A CD   
535  N  NE   . ARG   A 32  ? 0.20293090 0.38293767 0.32688022 -0.00261657 0.01490382  -0.01090122 144 ARG   A NE   
536  C  CZ   . ARG   A 32  ? 0.23786385 0.39240503 0.33537501 -0.00167628 0.01495850  -0.00376413 144 ARG   A CZ   
537  N  NH1  . ARG   A 32  ? 0.24846373 0.39681584 0.34461629 0.00433758  0.00856723  -0.00356433 144 ARG   A NH1  
538  N  NH2  . ARG   A 32  ? 0.25677896 0.39978319 0.35822177 -0.00888615 0.02584165  -0.00359857 144 ARG   A NH2  
539  H  H    . ARG   A 32  ? 0.04690951 0.31440955 0.25888121 0.00513516  0.00246725  -0.02675051 144 ARG   A H    
540  H  HA   . ARG   A 32  ? 0.05526266 0.31561935 0.26162499 0.00432873  0.00353003  -0.03088435 144 ARG   A HA   
541  H  HB2  . ARG   A 32  ? 0.09256307 0.32947314 0.27578449 0.00230835  -0.00180519 -0.03083960 144 ARG   A HB2  
542  H  HB3  . ARG   A 32  ? 0.09346984 0.33008736 0.27579141 0.00163403  -0.00173967 -0.03087474 144 ARG   A HB3  
543  H  HG2  . ARG   A 32  ? 0.12441988 0.34669852 0.29085684 0.00185724  0.00188699  -0.02636620 144 ARG   A HG2  
544  H  HG3  . ARG   A 32  ? 0.12470670 0.34681684 0.29079336 0.00138601  0.00183221  -0.02647167 144 ARG   A HG3  
545  H  HD2  . ARG   A 32  ? 0.16576353 0.36499238 0.30763328 0.00386281  0.00457954  -0.01859508 144 ARG   A HD2  
546  H  HD3  . ARG   A 32  ? 0.16503133 0.36453897 0.30731183 0.00373702  0.00447669  -0.01882122 144 ARG   A HD3  
547  H  HE   . ARG   A 32  ? 0.20477994 0.38100684 0.32447445 -0.00081694 0.01292340  -0.01093036 144 ARG   A HE   
548  H  HH11 . ARG   A 32  ? 0.24744044 0.39527410 0.34398466 0.00329058  0.01003464  -0.00330507 144 ARG   A HH11 
549  H  HH12 . ARG   A 32  ? 0.24842392 0.39474273 0.34267831 0.00349434  0.00906921  -0.00355108 144 ARG   A HH12 
550  H  HH21 . ARG   A 32  ? 0.25341600 0.39792264 0.35683644 -0.00727423 0.02406258  -0.00363665 144 ARG   A HH21 
551  H  HH22 . ARG   A 32  ? 0.25567800 0.39769065 0.35489184 -0.00721911 0.02548364  -0.00348635 144 ARG   A HH22 
552  N  N    . ILE   A 33  ? 0.02206071 0.30250776 0.23372175 0.00544513  0.01199840  -0.03950222 145 ILE   A N    
553  C  CA   . ILE   A 33  ? 0.02682358 0.29960281 0.22459562 0.00601035  0.00890560  -0.04052480 145 ILE   A CA   
554  C  C    . ILE   A 33  ? 0.01286960 0.29112315 0.21154313 0.00422404  0.01686043  -0.03468750 145 ILE   A C    
555  O  O    . ILE   A 33  ? 0.01252013 0.28799301 0.20676889 -0.00045821 0.01706155  -0.03201046 145 ILE   A O    
556  C  CB   . ILE   A 33  ? 0.04668725 0.31012154 0.22933339 0.00919252  0.00485645  -0.04112710 145 ILE   A CB   
557  C  CG1  . ILE   A 33  ? 0.05403848 0.31867200 0.24027155 0.00958037  -0.00224763 -0.04583473 145 ILE   A CG1  
558  C  CG2  . ILE   A 33  ? 0.06146071 0.31108415 0.23127587 0.01182223  0.00345712  -0.04061119 145 ILE   A CG2  
559  C  CD1  . ILE   A 33  ? 0.06335030 0.32423526 0.24216321 0.00886555  -0.00382494 -0.04578267 145 ILE   A CD1  
560  H  H    . ILE   A 33  ? 0.02268048 0.30332440 0.23494692 0.00366531  0.01220753  -0.03888896 145 ILE   A H    
561  H  HA   . ILE   A 33  ? 0.02769617 0.29994631 0.22463970 0.00627900  0.00985073  -0.03945024 145 ILE   A HA   
562  H  HB   . ILE   A 33  ? 0.04682773 0.30965114 0.22942907 0.00909763  0.00482172  -0.04132418 145 ILE   A HB   
563  H  HG12 . ILE   A 33  ? 0.05504191 0.31822920 0.23840922 0.00948248  -0.00145599 -0.04476223 145 ILE   A HG12 
564  H  HG13 . ILE   A 33  ? 0.05445793 0.31827033 0.23866369 0.00953142  -0.00144799 -0.04470567 145 ILE   A HG13 
565  H  HG21 . ILE   A 33  ? 0.05918263 0.31085229 0.23090120 0.01151752  0.00361484  -0.04076342 145 ILE   A HG21 
566  H  HG22 . ILE   A 33  ? 0.06097087 0.31076586 0.23093218 0.01172404  0.00321874  -0.04075004 145 ILE   A HG22 
567  H  HG23 . ILE   A 33  ? 0.05894578 0.31078458 0.23074578 0.01170571  0.00393247  -0.04038832 145 ILE   A HG23 
568  H  HD11 . ILE   A 33  ? 0.06325066 0.32328677 0.24171951 0.00919314  -0.00381847 -0.04598486 145 ILE   A HD11 
569  H  HD12 . ILE   A 33  ? 0.06221616 0.32355601 0.24172640 0.00921561  -0.00348125 -0.04584036 145 ILE   A HD12 
570  H  HD13 . ILE   A 33  ? 0.06227560 0.32365477 0.24161886 0.00892864  -0.00355636 -0.04596166 145 ILE   A HD13 
571  N  N    . ALA   A 34  ? 0.01484312 0.28488964 0.20674302 0.00384209  0.01687256  -0.03187457 146 ALA   A N    
572  C  CA   . ALA   A 34  ? 0.01782107 0.28140002 0.19820413 0.00013063  0.01721334  -0.02684495 146 ALA   A CA   
573  C  C    . ALA   A 34  ? 0.01030962 0.28001314 0.19089924 -0.00125643 0.01497278  -0.02222057 146 ALA   A C    
574  O  O    . ALA   A 34  ? 0.00951727 0.28493696 0.20660268 -0.00501776 0.01433096  -0.02503149 146 ALA   A O    
575  C  CB   . ALA   A 34  ? 0.03968708 0.29085851 0.20198037 0.00271629  0.01156895  -0.02628921 146 ALA   A CB   
576  H  H    . ALA   A 34  ? 0.01513658 0.28537428 0.20628048 0.00277718  0.01721071  -0.03167151 146 ALA   A H    
577  H  HA   . ALA   A 34  ? 0.01824843 0.28250992 0.19811523 0.00056202  0.01755011  -0.02630235 146 ALA   A HA   
578  H  HB1  . ALA   A 34  ? 0.03700509 0.28984112 0.20128398 0.00212653  0.01270281  -0.02606358 146 ALA   A HB1  
579  H  HB2  . ALA   A 34  ? 0.03942197 0.28933924 0.20164792 0.00297962  0.01187559  -0.02636559 146 ALA   A HB2  
580  H  HB3  . ALA   A 34  ? 0.03649568 0.28936094 0.20129289 0.00274057  0.01286858  -0.02593172 146 ALA   A HB3  
581  N  N    . LEU   A 35  ? 0.00931915 0.28414667 0.18223833 -0.00240850 0.01920264  -0.01730842 147 LEU   A N    
582  C  CA   . LEU   A 35  ? 0.02222463 0.29038638 0.17677070 0.00104796  0.01702575  -0.01932069 147 LEU   A CA   
583  C  C    . LEU   A 35  ? 0.00797913 0.28731155 0.17554037 0.00320160  0.01611383  -0.01877313 147 LEU   A C    
584  O  O    . LEU   A 35  ? 0.00814158 0.30016083 0.18302387 0.00596950  0.01412823  -0.02425008 147 LEU   A O    
585  C  CB   . LEU   A 35  ? 0.03791858 0.30017126 0.18663515 0.00387095  0.02259892  -0.01183968 147 LEU   A CB   
586  C  CG   . LEU   A 35  ? 0.08275153 0.31761432 0.19194946 0.00054272  0.01755190  -0.01009729 147 LEU   A CG   
587  C  CD1  . LEU   A 35  ? 0.09650476 0.32425135 0.20101036 -0.00323099 0.01618728  -0.00349492 147 LEU   A CD1  
588  C  CD2  . LEU   A 35  ? 0.08395412 0.32481790 0.20517331 -0.00073355 0.01382198  -0.00981764 147 LEU   A CD2  
589  H  H    . LEU   A 35  ? 0.01079624 0.28410256 0.18205835 -0.00141109 0.01993697  -0.01877056 147 LEU   A H    
590  H  HA   . LEU   A 35  ? 0.02297599 0.29018265 0.17852178 0.00110789  0.01846747  -0.01810119 147 LEU   A HA   
591  H  HB2  . LEU   A 35  ? 0.03820484 0.30012661 0.18477386 0.00292413  0.02212836  -0.01257745 147 LEU   A HB2  
592  H  HB3  . LEU   A 35  ? 0.04070459 0.30019927 0.18527672 0.00335468  0.02107366  -0.01278383 147 LEU   A HB3  
593  H  HG   . LEU   A 35  ? 0.07729807 0.31695169 0.19387084 0.00045437  0.01804550  -0.00906276 147 LEU   A HG   
594  H  HD11 . LEU   A 35  ? 0.09656670 0.32317680 0.19896100 -0.00259723 0.01657480  -0.00454495 147 LEU   A HD11 
595  H  HD12 . LEU   A 35  ? 0.09479807 0.32324111 0.19974229 -0.00245904 0.01697557  -0.00430292 147 LEU   A HD12 
596  H  HD13 . LEU   A 35  ? 0.09467284 0.32392710 0.19907711 -0.00288661 0.01643980  -0.00425114 147 LEU   A HD13 
597  H  HD21 . LEU   A 35  ? 0.08345316 0.32357848 0.20261545 -0.00017750 0.01453464  -0.01026361 147 LEU   A HD21 
598  H  HD22 . LEU   A 35  ? 0.08405967 0.32402593 0.20278168 -0.00053398 0.01432900  -0.00968562 147 LEU   A HD22 
599  H  HD23 . LEU   A 35  ? 0.08432960 0.32349771 0.20323418 -0.00023123 0.01479556  -0.00968778 147 LEU   A HD23 
600  N  N    . ASP   A 36  ? 0.01828049 0.28967774 0.16936576 0.00364467  0.01192046  -0.02008807 148 ASP   A N    
601  C  CA   . ASP   A 36  ? 0.01876752 0.29503220 0.17309061 0.00386137  0.00472745  -0.01835820 148 ASP   A CA   
602  C  C    . ASP   A 36  ? 0.00776101 0.29331756 0.16095373 0.00290543  0.00794288  -0.01626315 148 ASP   A C    
603  O  O    . ASP   A 36  ? 0.00653956 0.30062383 0.16529107 0.00466339  0.00427731  -0.01914807 148 ASP   A O    
604  C  CB   . ASP   A 36  ? 0.04165646 0.30124229 0.19065122 -0.00200014 0.00559348  -0.01323330 148 ASP   A CB   
605  C  CG   . ASP   A 36  ? 0.05853704 0.30616003 0.21052729 -0.00495329 0.00100430  -0.00971209 148 ASP   A CG   
606  O  OD1  . ASP   A 36  ? 0.05836651 0.32268393 0.22644533 -0.00342415 0.00161668  -0.01610979 148 ASP   A OD1  
607  O  OD2  . ASP   A 36  ? 0.08659223 0.32467377 0.25044316 -0.01990314 -0.02278376 -0.00990925 148 ASP   A OD2  
608  H  H    . ASP   A 36  ? 0.01844981 0.29003572 0.17118222 0.00398498  0.01150369  -0.01950482 148 ASP   A H    
609  H  HA   . ASP   A 36  ? 0.01965420 0.29446608 0.17228594 0.00332530  0.00721815  -0.01761470 148 ASP   A HA   
610  H  HB2  . ASP   A 36  ? 0.04171790 0.30059671 0.19026794 -0.00164054 0.00509987  -0.01348441 148 ASP   A HB2  
611  H  HB3  . ASP   A 36  ? 0.04047714 0.30062068 0.19035925 -0.00121679 0.00514086  -0.01331217 148 ASP   A HB3  
612  N  N    . PHE   A 37  ? 0.00676637 0.29293376 0.15378051 0.00531083  0.00677265  -0.01319768 149 PHE   A N    
613  C  CA   . PHE   A 37  ? 0.01466201 0.29384106 0.15108897 0.00583808  0.00439895  -0.01057343 149 PHE   A CA   
614  C  C    . PHE   A 37  ? 0.01321718 0.29003662 0.15272769 0.00264750  -0.00234757 -0.00663084 149 PHE   A C    
615  O  O    . PHE   A 37  ? 0.01281729 0.29662091 0.14761847 -0.00160109 -0.00449460 -0.00950012 149 PHE   A O    
616  C  CB   . PHE   A 37  ? 0.03075702 0.29820043 0.15299195 0.01253440  0.00920957  -0.00705483 149 PHE   A CB   
617  C  CG   . PHE   A 37  ? 0.03523170 0.31380796 0.15606375 0.02174680  0.00706189  -0.00434374 149 PHE   A CG   
618  C  CD1  . PHE   A 37  ? 0.03378367 0.31787974 0.15775630 0.02541282  0.00697305  -0.00525391 149 PHE   A CD1  
619  C  CD2  . PHE   A 37  ? 0.04781480 0.32131916 0.16270144 0.02939959  0.00618869  0.00091923  149 PHE   A CD2  
620  C  CE1  . PHE   A 37  ? 0.04491224 0.32650656 0.15732367 0.02994920  0.00682186  -0.00275309 149 PHE   A CE1  
621  C  CE2  . PHE   A 37  ? 0.05851697 0.32669002 0.16232987 0.03305567  0.00452088  0.00314629  149 PHE   A CE2  
622  C  CZ   . PHE   A 37  ? 0.04979101 0.33271444 0.16094913 0.03388921  0.00543119  0.00103317  149 PHE   A CZ   
623  H  H    . PHE   A 37  ? 0.00792543 0.29289716 0.15388468 0.00529764  0.00777740  -0.01360890 149 PHE   A H    
624  H  HA   . PHE   A 37  ? 0.01528639 0.29321063 0.15222797 0.00678459  0.00411349  -0.00999209 149 PHE   A HA   
625  H  HB2  . PHE   A 37  ? 0.03082342 0.29893023 0.15277021 0.01284942  0.00815914  -0.00718042 149 PHE   A HB2  
626  H  HB3  . PHE   A 37  ? 0.02957202 0.29874378 0.15282567 0.01287192  0.00815158  -0.00720292 149 PHE   A HB3  
627  H  HD1  . PHE   A 37  ? 0.03602023 0.31789619 0.15730338 0.02576150  0.00685270  -0.00454620 149 PHE   A HD1  
628  H  HD2  . PHE   A 37  ? 0.04725895 0.32074547 0.16146466 0.02845827  0.00598120  0.00076253  149 PHE   A HD2  
629  H  HE1  . PHE   A 37  ? 0.04387239 0.32554686 0.15785623 0.02990087  0.00665368  -0.00248121 149 PHE   A HE1  
630  H  HE2  . PHE   A 37  ? 0.05591532 0.32674903 0.16207461 0.03261496  0.00523974  0.00247744  149 PHE   A HE2  
631  H  HZ   . PHE   A 37  ? 0.05027672 0.33075058 0.16037981 0.03304235  0.00584944  0.00083203  149 PHE   A HZ   
632  N  N    . GLN   A 38  ? 0.01258757 0.28600210 0.15273629 -0.00307868 -0.00101212 -0.00502985 150 GLN   A N    
633  C  CA   . GLN   A 38  ? 0.03957516 0.29564905 0.15666476 -0.00403355 -0.00170020 -0.00553388 150 GLN   A CA   
634  C  C    . GLN   A 38  ? 0.03806137 0.29275268 0.15014742 -0.00779149 -0.00153411 -0.00209127 150 GLN   A C    
635  O  O    . GLN   A 38  ? 0.05186605 0.29172879 0.15953283 -0.00023775 -0.00539738 -0.00634021 150 GLN   A O    
636  C  CB   . GLN   A 38  ? 0.08519719 0.30730247 0.17343339 -0.01317387 0.00615666  -0.00009414 150 GLN   A CB   
637  C  CG   . GLN   A 38  ? 0.12671235 0.31803328 0.19648467 -0.01372324 0.00471371  -0.00815536 150 GLN   A CG   
638  C  CD   . GLN   A 38  ? 0.16165595 0.33137888 0.21549907 -0.00987212 -0.00601490 -0.00299915 150 GLN   A CD   
639  O  OE1  . GLN   A 38  ? 0.21544148 0.35721129 0.24150109 -0.01221149 -0.02309445 -0.01261521 150 GLN   A OE1  
640  N  NE2  . GLN   A 38  ? 0.19462788 0.34194058 0.23513640 -0.01327208 -0.01542687 -0.00664576 150 GLN   A NE2  
641  H  H    . GLN   A 38  ? 0.01442900 0.28772402 0.15305077 -0.00128660 -0.00232412 -0.00509985 150 GLN   A H    
642  H  HA   . GLN   A 38  ? 0.03904410 0.29453731 0.15680169 -0.00493097 -0.00058560 -0.00409624 150 GLN   A HA   
643  H  HB2  . GLN   A 38  ? 0.08502938 0.30663890 0.17300875 -0.01200712 0.00529353  -0.00211827 150 GLN   A HB2  
644  H  HB3  . GLN   A 38  ? 0.08215877 0.30652475 0.17356421 -0.01116001 0.00501238  -0.00191288 150 GLN   A HB3  
645  H  HG2  . GLN   A 38  ? 0.12502350 0.31762022 0.19440602 -0.01326163 0.00331503  -0.00550823 150 GLN   A HG2  
646  H  HG3  . GLN   A 38  ? 0.12628552 0.31909496 0.19561616 -0.01332447 0.00412418  -0.00550381 150 GLN   A HG3  
647  H  HE21 . GLN   A 38  ? 0.18540758 0.33935577 0.23273072 -0.01197226 -0.01391480 -0.00526325 150 GLN   A HE21 
648  H  HE22 . GLN   A 38  ? 0.18626288 0.34071201 0.23168103 -0.01200389 -0.01451924 -0.00678454 150 GLN   A HE22 
649  N  N    . ARG   A 39  ? 0.02990092 0.29346722 0.14917885 -0.00885999 0.00242731  -0.00121718 151 ARG   A N    
650  C  CA   . ARG   A 39  ? 0.02835799 0.29679453 0.14778043 -0.01177767 0.00486053  -0.00097216 151 ARG   A CA   
651  C  C    . ARG   A 39  ? 0.02666689 0.29330230 0.14657710 -0.00276189 0.00940505  0.00080848  151 ARG   A C    
652  O  O    . ARG   A 39  ? 0.03084057 0.29211605 0.13930428 -0.00641355 0.00623404  0.00130051  151 ARG   A O    
653  C  CB   . ARG   A 39  ? 0.03156872 0.30779839 0.15408081 -0.01888683 0.00559958  -0.00374802 151 ARG   A CB   
654  C  CG   . ARG   A 39  ? 0.04848897 0.32113081 0.16333699 -0.02691452 0.00237028  -0.00878353 151 ARG   A CG   
655  C  CD   . ARG   A 39  ? 0.06209745 0.33520418 0.17727828 -0.03942119 0.00436277  -0.01203221 151 ARG   A CD   
656  N  NE   . ARG   A 39  ? 0.08472607 0.35325634 0.18791477 -0.05073302 0.00246836  -0.01861631 151 ARG   A NE   
657  C  CZ   . ARG   A 39  ? 0.11673231 0.37121016 0.19249482 -0.05324345 -0.00759036 -0.01896791 151 ARG   A CZ   
658  N  NH1  . ARG   A 39  ? 0.13268930 0.37537044 0.20260555 -0.05480410 -0.01029775 -0.01594448 151 ARG   A NH1  
659  N  NH2  . ARG   A 39  ? 0.14499252 0.38453686 0.19755518 -0.05280807 -0.00767423 -0.02504476 151 ARG   A NH2  
660  H  H    . ARG   A 39  ? 0.03099987 0.29340947 0.14910926 -0.00869363 0.00194895  -0.00137438 151 ARG   A H    
661  H  HA   . ARG   A 39  ? 0.02943935 0.29671484 0.14870459 -0.01081085 0.00527007  -0.00111080 151 ARG   A HA   
662  H  HB2  . ARG   A 39  ? 0.03381287 0.30761874 0.15400730 -0.01857284 0.00490823  -0.00395563 151 ARG   A HB2  
663  H  HB3  . ARG   A 39  ? 0.03353057 0.30736279 0.15413664 -0.01829439 0.00488567  -0.00395430 151 ARG   A HB3  
664  H  HG2  . ARG   A 39  ? 0.04751153 0.32020611 0.16352974 -0.02727748 0.00334849  -0.00828343 151 ARG   A HG2  
665  H  HG3  . ARG   A 39  ? 0.04787939 0.32028174 0.16355529 -0.02744965 0.00338419  -0.00824239 151 ARG   A HG3  
666  H  HD2  . ARG   A 39  ? 0.06396754 0.33549380 0.17662477 -0.03878641 0.00380258  -0.01264669 151 ARG   A HD2  
667  H  HD3  . ARG   A 39  ? 0.06444903 0.33579248 0.17703101 -0.03864398 0.00372727  -0.01264952 151 ARG   A HD3  
668  H  HE   . ARG   A 39  ? 0.08651149 0.35331774 0.18662287 -0.04957357 0.00128327  -0.01756567 151 ARG   A HE   
669  H  HH11 . ARG   A 39  ? 0.12986815 0.37432128 0.20116191 -0.05475025 -0.00896114 -0.01644282 151 ARG   A HH11 
670  H  HH12 . ARG   A 39  ? 0.12767290 0.37420279 0.20041966 -0.05450116 -0.00936386 -0.01557485 151 ARG   A HH12 
671  H  HH21 . ARG   A 39  ? 0.13997218 0.38161117 0.19747502 -0.05341981 -0.00638399 -0.02355220 151 ARG   A HH21 
672  H  HH22 . ARG   A 39  ? 0.13919003 0.38230854 0.19621505 -0.05417711 -0.00702592 -0.02352185 151 ARG   A HH22 
673  N  N    . GLY   A 40  ? 0.02961559 0.28843540 0.14345554 0.00491053  0.01342444  0.00376268  152 GLY   A N    
674  C  CA   . GLY   A 40  ? 0.03408538 0.28940821 0.14343201 0.00389148  0.01445520  0.00559780  152 GLY   A CA   
675  C  C    . GLY   A 40  ? 0.02788871 0.29045862 0.14135329 0.00369920  0.01516558  0.00873237  152 GLY   A C    
676  O  O    . GLY   A 40  ? 0.02911536 0.29694331 0.15208939 0.00148202  0.00736518  0.00533437  152 GLY   A O    
677  H  H    . GLY   A 40  ? 0.02943658 0.28901500 0.14396659 0.00371373  0.01242564  0.00372176  152 GLY   A H    
678  H  HA2  . GLY   A 40  ? 0.03441438 0.28921252 0.14288817 0.00420211  0.01489652  0.00581338  152 GLY   A HA2  
679  H  HA3  . GLY   A 40  ? 0.03300516 0.28926212 0.14297538 0.00414993  0.01455482  0.00592016  152 GLY   A HA3  
680  N  N    . ASN   A 41  ? 0.02879521 0.29250574 0.13601686 0.00419040  0.01607186  0.01037299  153 ASN   A N    
681  C  CA   . ASN   A 41  ? 0.03709770 0.29522723 0.14601716 0.00372093  0.01566054  0.00828882  153 ASN   A CA   
682  C  C    . ASN   A 41  ? 0.02907193 0.29696029 0.14618026 0.00471335  0.01084701  0.00455851  153 ASN   A C    
683  O  O    . ASN   A 41  ? 0.04102177 0.30314547 0.15992518 0.00268126  0.01593864  0.00095499  153 ASN   A O    
684  C  CB   . ASN   A 41  ? 0.04768337 0.30066675 0.15249901 0.00704528  0.01263276  0.01209952  153 ASN   A CB   
685  C  CG   . ASN   A 41  ? 0.06502943 0.30412257 0.16463242 0.00768479  0.01060977  0.01423088  153 ASN   A CG   
686  O  OD1  . ASN   A 41  ? 0.06920666 0.31081671 0.17504869 0.00650385  0.01426532  0.00820575  153 ASN   A OD1  
687  N  ND2  . ASN   A 41  ? 0.06613982 0.30865479 0.17852831 0.01155591  0.01139263  0.01783509  153 ASN   A ND2  
688  H  H    . ASN   A 41  ? 0.03051448 0.29233682 0.13813144 0.00397690  0.01574314  0.00960937  153 ASN   A H    
689  H  HA   . ASN   A 41  ? 0.03648071 0.29546463 0.14529149 0.00437249  0.01463982  0.00870737  153 ASN   A HA   
690  H  HB2  . ASN   A 41  ? 0.04871500 0.30010253 0.15270083 0.00662555  0.01322619  0.01179944  153 ASN   A HB2  
691  H  HB3  . ASN   A 41  ? 0.04897882 0.30020213 0.15347400 0.00650888  0.01278532  0.01186534  153 ASN   A HB3  
692  H  HD21 . ASN   A 41  ? 0.06650134 0.30776006 0.17467129 0.01114690  0.01174352  0.01735479  153 ASN   A HD21 
693  H  HD22 . ASN   A 41  ? 0.06633873 0.30759984 0.17486042 0.01064126  0.01154175  0.01715592  153 ASN   A HD22 
694  N  N    . ASP   A 42  ? 0.01638218 0.29759997 0.13632430 0.00579556  0.00873240  -0.00101313 154 ASP   A N    
695  C  CA   . ASP   A 42  ? 0.01168374 0.30231994 0.13813142 0.00669804  0.00651218  -0.00240960 154 ASP   A CA   
696  C  C    . ASP   A 42  ? 0.00657914 0.29906905 0.13883042 0.00666054  0.00347763  -0.00305391 154 ASP   A C    
697  O  O    . ASP   A 42  ? 0.00663528 0.30582786 0.14936021 0.00648028  -0.00495989 -0.00656843 154 ASP   A O    
698  C  CB   . ASP   A 42  ? 0.02421036 0.30881977 0.15089171 0.00301595  0.01112257  -0.00314341 154 ASP   A CB   
699  C  CG   . ASP   A 42  ? 0.03401741 0.32214159 0.15729666 -0.00232667 0.00621710  -0.00231852 154 ASP   A CG   
700  O  OD1  . ASP   A 42  ? 0.03788017 0.32920098 0.16326357 -0.00884378 0.00927144  -0.00007584 154 ASP   A OD1  
701  O  OD2  . ASP   A 42  ? 0.05957586 0.33956766 0.17084549 -0.01812325 -0.00499295 -0.00529264 154 ASP   A OD2  
702  H  H    . ASP   A 42  ? 0.01845505 0.29763281 0.13816316 0.00573407  0.00892022  -0.00032263 154 ASP   A H    
703  H  HA   . ASP   A 42  ? 0.01304034 0.30191302 0.13992669 0.00650425  0.00690926  -0.00211283 154 ASP   A HA   
704  H  HB2  . ASP   A 42  ? 0.02336303 0.30915278 0.14923760 0.00288427  0.00948903  -0.00278129 154 ASP   A HB2  
705  H  HB3  . ASP   A 42  ? 0.02331885 0.30935591 0.14919880 0.00287514  0.00957299  -0.00281218 154 ASP   A HB3  
706  N  N    . VAL   A 43  ? 0.00639821 0.29563189 0.14121722 0.00228880  0.00250413  -0.00332939 155 VAL   A N    
707  C  CA   . VAL   A 43  ? 0.00640821 0.29331422 0.14104433 -0.00139359 0.00304144  0.00073791  155 VAL   A CA   
708  C  C    . VAL   A 43  ? 0.00664380 0.29077661 0.14753725 -0.00098914 0.00659118  0.00025325  155 VAL   A C    
709  O  O    . VAL   A 43  ? 0.00666818 0.30137420 0.15095447 -0.00099601 0.00693098  0.00009895  155 VAL   A O    
710  C  CB   . VAL   A 43  ? 0.00684508 0.29491425 0.14515051 -0.00081182 0.00842028  -0.00179888 155 VAL   A CB   
711  C  CG1  . VAL   A 43  ? 0.00784856 0.29174358 0.14562504 0.00010538  0.00950790  -0.00144515 155 VAL   A CG1  
712  C  CG2  . VAL   A 43  ? 0.01210083 0.29649591 0.14860067 -0.00475672 0.00973858  -0.00065198 155 VAL   A CG2  
713  H  H    . VAL   A 43  ? 0.00641386 0.29561442 0.14050530 0.00314683  0.00248457  -0.00247053 155 VAL   A H    
714  H  HA   . VAL   A 43  ? 0.00643372 0.29306996 0.14246164 -0.00010092 0.00370919  -0.00004408 155 VAL   A HA   
715  H  HB   . VAL   A 43  ? 0.00677426 0.29431343 0.14494430 -0.00059529 0.00781544  -0.00112745 155 VAL   A HB   
716  H  HG11 . VAL   A 43  ? 0.00810873 0.29181677 0.14536822 0.00016052  0.00918837  -0.00145112 155 VAL   A HG11 
717  H  HG12 . VAL   A 43  ? 0.00759642 0.29189694 0.14537238 -0.00000314 0.00923745  -0.00147907 155 VAL   A HG12 
718  H  HG13 . VAL   A 43  ? 0.00765720 0.29179972 0.14558546 -0.00001762 0.00923407  -0.00152072 155 VAL   A HG13 
719  H  HG21 . VAL   A 43  ? 0.01092071 0.29604894 0.14793774 -0.00404269 0.00960275  -0.00071642 155 VAL   A HG21 
720  H  HG22 . VAL   A 43  ? 0.01088929 0.29593837 0.14829235 -0.00401173 0.00970478  -0.00075011 155 VAL   A HG22 
721  H  HG23 . VAL   A 43  ? 0.01262121 0.29599702 0.14802527 -0.00422002 0.00959443  -0.00077351 155 VAL   A HG23 
722  N  N    . ALA   A 44  ? 0.00677456 0.28704333 0.15350704 -0.00632310 0.00663207  0.00032419  156 ALA   A N    
723  C  CA   . ALA   A 44  ? 0.00738775 0.28151834 0.15281962 -0.01470441 0.00644341  -0.00303218 156 ALA   A CA   
724  C  C    . ALA   A 44  ? 0.00850553 0.27640349 0.14910528 -0.01779310 0.00871833  -0.00216584 156 ALA   A C    
725  O  O    . ALA   A 44  ? 0.01304677 0.27809769 0.15381381 -0.01917853 0.01521409  0.00133945  156 ALA   A O    
726  C  CB   . ALA   A 44  ? 0.00721179 0.28282768 0.15916774 -0.01509750 0.00301528  -0.00222049 156 ALA   A CB   
727  H  H    . ALA   A 44  ? 0.00678685 0.28612930 0.15205584 -0.00484882 0.00735235  -0.00043077 156 ALA   A H    
728  H  HA   . ALA   A 44  ? 0.00731273 0.28194743 0.15310530 -0.01415480 0.00622435  -0.00251513 156 ALA   A HA   
729  H  HB1  . ALA   A 44  ? 0.00723599 0.28243476 0.15844858 -0.01516302 0.00339612  -0.00215093 156 ALA   A HB1  
730  H  HB2  . ALA   A 44  ? 0.00722645 0.28230667 0.15776695 -0.01528831 0.00280033  -0.00244389 156 ALA   A HB2  
731  H  HB3  . ALA   A 44  ? 0.00723071 0.28234881 0.15808003 -0.01509514 0.00344769  -0.00237639 156 ALA   A HB3  
732  N  N    . PHE   A 45  ? 0.00708809 0.27640504 0.14525433 -0.01214258 0.00542803  -0.00072857 157 PHE   A N    
733  C  CA   . PHE   A 45  ? 0.00684868 0.27473462 0.14595965 -0.00925555 0.00527052  -0.00078935 157 PHE   A CA   
734  C  C    . PHE   A 45  ? 0.00650897 0.26924902 0.14120355 -0.00677088 -0.00053670 0.00075009  157 PHE   A C    
735  O  O    . PHE   A 45  ? 0.00651096 0.27514768 0.14355592 -0.00356169 -0.00425932 0.00128916  157 PHE   A O    
736  C  CB   . PHE   A 45  ? 0.00720396 0.27955014 0.14563714 -0.00731124 0.00714487  0.00020883  157 PHE   A CB   
737  C  CG   . PHE   A 45  ? 0.00675919 0.28457141 0.14383581 -0.00590247 0.00643874  -0.00006962 157 PHE   A CG   
738  C  CD1  . PHE   A 45  ? 0.00661463 0.28946328 0.14575283 -0.00212043 0.00608843  0.00038663  157 PHE   A CD1  
739  C  CD2  . PHE   A 45  ? 0.00658176 0.28748637 0.14763020 -0.00069157 0.00590703  0.00226458  157 PHE   A CD2  
740  C  CE1  . PHE   A 45  ? 0.00671592 0.29363894 0.14601263 0.00060019  0.00392204  0.00136685  157 PHE   A CE1  
741  C  CE2  . PHE   A 45  ? 0.00638351 0.29148585 0.14564654 0.00064259  0.00263161  0.00319421  157 PHE   A CE2  
742  C  CZ   . PHE   A 45  ? 0.00647762 0.29444540 0.14625858 0.00027798  0.00450152  0.00145255  157 PHE   A CZ   
743  H  H    . PHE   A 45  ? 0.00726793 0.27608865 0.14515157 -0.01297863 0.00661057  -0.00085911 157 PHE   A H    
744  H  HA   . PHE   A 45  ? 0.00703112 0.27439076 0.14513682 -0.00885483 0.00494198  -0.00049489 157 PHE   A HA   
745  H  HB2  . PHE   A 45  ? 0.00687018 0.27950603 0.14529775 -0.00718305 0.00695890  0.00008021  157 PHE   A HB2  
746  H  HB3  . PHE   A 45  ? 0.00745679 0.27944183 0.14523873 -0.00703007 0.00704690  0.00003382  157 PHE   A HB3  
747  H  HD1  . PHE   A 45  ? 0.00660180 0.28898758 0.14532377 -0.00241810 0.00587260  0.00050857  157 PHE   A HD1  
748  H  HD2  . PHE   A 45  ? 0.00655875 0.28717637 0.14648895 -0.00123762 0.00555235  0.00200086  157 PHE   A HD2  
749  H  HE1  . PHE   A 45  ? 0.00647261 0.29337001 0.14588502 0.00004992  0.00441999  0.00132183  157 PHE   A HE1  
750  H  HE2  . PHE   A 45  ? 0.00640989 0.29113090 0.14540642 0.00047272  0.00326628  0.00309802  157 PHE   A HE2  
751  H  HZ   . PHE   A 45  ? 0.00645307 0.29357362 0.14599739 0.00027698  0.00409864  0.00172281  157 PHE   A HZ   
752  N  N    . HIS   A 46  ? 0.00674612 0.26935917 0.14237411 -0.00268856 0.00724771  -0.00009523 158 HIS   A N    
753  C  CA   . HIS   A 46  ? 0.01252846 0.27176774 0.14369732 0.00030303  0.00997896  -0.00252795 158 HIS   A CA   
754  C  C    . HIS   A 46  ? 0.00740258 0.27201653 0.14286244 0.00259064  0.01190665  -0.00351186 158 HIS   A C    
755  O  O    . HIS   A 46  ? 0.00789012 0.27807432 0.15079148 0.00239745  0.01484627  -0.00523297 158 HIS   A O    
756  C  CB   . HIS   A 46  ? 0.01683297 0.27314192 0.14778647 0.00194877  0.00989027  -0.00160959 158 HIS   A CB   
757  C  CG   . HIS   A 46  ? 0.01113354 0.27668840 0.15689687 -0.00249528 0.00898801  -0.00260893 158 HIS   A CG   
758  N  ND1  . HIS   A 46  ? 0.00938141 0.27818197 0.16548827 -0.00385171 0.00715352  -0.00265623 158 HIS   A ND1  
759  C  CD2  . HIS   A 46  ? 0.02027410 0.27931094 0.16411772 0.00132186  0.00752060  -0.00464123 158 HIS   A CD2  
760  C  CE1  . HIS   A 46  ? 0.01887942 0.28062433 0.16518031 0.00103203  0.00986700  -0.00587003 158 HIS   A CE1  
761  N  NE2  . HIS   A 46  ? 0.02066427 0.27999789 0.16579762 0.00339918  0.01024489  -0.00422177 158 HIS   A NE2  
762  H  H    . HIS   A 46  ? 0.00657092 0.26960087 0.14225683 -0.00327107 0.00518776  -0.00035688 158 HIS   A H    
763  H  HA   . HIS   A 46  ? 0.01271839 0.27154619 0.14377244 0.00076292  0.01050732  -0.00226277 158 HIS   A HA   
764  H  HB2  . HIS   A 46  ? 0.01554240 0.27352554 0.14808144 0.00094575  0.00973949  -0.00199083 158 HIS   A HB2  
765  H  HB3  . HIS   A 46  ? 0.01723092 0.27350205 0.14838657 0.00055142  0.00947169  -0.00193231 158 HIS   A HB3  
766  H  HD1  . HIS   A 46  ? 0.15199444 0.15199444 0.15199444 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
767  H  HD2  . HIS   A 46  ? 0.02130212 0.27893090 0.16275136 0.00091766  0.00853311  -0.00420745 158 HIS   A HD2  
768  H  HE1  . HIS   A 46  ? 0.01916808 0.28047615 0.16574052 0.00090535  0.00968108  -0.00521070 158 HIS   A HE1  
769  H  HE2  . HIS   A 46  ? 0.15993547 0.15993547 0.15993547 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
770  N  N    . PHE   A 47  ? 0.00710042 0.27482414 0.14131333 0.00428157  0.00960924  -0.00641945 159 PHE   A N    
771  C  CA   . PHE   A 47  ? 0.00681244 0.27997273 0.14134516 0.00723496  0.00603297  -0.00769750 159 PHE   A CA   
772  C  C    . PHE   A 47  ? 0.00755926 0.28279114 0.14697920 0.00792042  0.01159981  -0.00861172 159 PHE   A C    
773  O  O    . PHE   A 47  ? 0.00749628 0.28452992 0.15470430 0.01076597  0.00997933  -0.01356903 159 PHE   A O    
774  C  CB   . PHE   A 47  ? 0.00680999 0.27986920 0.14461100 0.00547211  0.00703106  -0.00495729 159 PHE   A CB   
775  C  CG   . PHE   A 47  ? 0.00663861 0.28522891 0.14357074 0.00771928  0.00346637  -0.00336130 159 PHE   A CG   
776  C  CD1  . PHE   A 47  ? 0.00696174 0.28864193 0.14458525 0.01113252  0.00498681  -0.00353375 159 PHE   A CD1  
777  C  CD2  . PHE   A 47  ? 0.00648999 0.29203004 0.14419439 0.00657899  0.00081555  -0.00367027 159 PHE   A CD2  
778  C  CE1  . PHE   A 47  ? 0.00686817 0.29044890 0.14510755 0.00934034  0.00550646  -0.00375926 159 PHE   A CE1  
779  C  CE2  . PHE   A 47  ? 0.00799005 0.29202139 0.14436999 0.00649170  0.00161346  -0.00376542 159 PHE   A CE2  
780  C  CZ   . PHE   A 47  ? 0.01312358 0.29228055 0.14171055 0.00577187  0.00402126  -0.00570253 159 PHE   A CZ   
781  H  H    . PHE   A 47  ? 0.00719949 0.27484035 0.14099725 0.00480775  0.01013470  -0.00634395 159 PHE   A H    
782  H  HA   . PHE   A 47  ? 0.00698415 0.27955705 0.14200419 0.00654465  0.00801146  -0.00733312 159 PHE   A HA   
783  H  HB2  . PHE   A 47  ? 0.00678122 0.28012466 0.14373851 0.00611534  0.00642967  -0.00518163 159 PHE   A HB2  
784  H  HB3  . PHE   A 47  ? 0.00691622 0.28044784 0.14337204 0.00664181  0.00747813  -0.00535130 159 PHE   A HB3  
785  H  HD1  . PHE   A 47  ? 0.00689013 0.28818095 0.14435010 0.01032189  0.00484639  -0.00355696 159 PHE   A HD1  
786  H  HD2  . PHE   A 47  ? 0.00651330 0.29085863 0.14392586 0.00687144  0.00133671  -0.00359808 159 PHE   A HD2  
787  H  HE1  . PHE   A 47  ? 0.00684418 0.29048765 0.14416474 0.00885835  0.00557250  -0.00393300 159 PHE   A HE1  
788  H  HE2  . PHE   A 47  ? 0.00810781 0.29180932 0.14378536 0.00649722  0.00192341  -0.00401389 159 PHE   A HE2  
789  H  HZ   . PHE   A 47  ? 0.01085451 0.29176140 0.14184466 0.00656572  0.00395844  -0.00515997 159 PHE   A HZ   
790  N  N    . ASN   A 48  ? 0.00872173 0.28826249 0.15565439 0.01259926  0.01336520  -0.00839329 160 ASN   A N    
791  C  CA   . ASN   A 48  ? 0.01534744 0.29097646 0.15911849 0.01714205  0.01489857  -0.00929872 160 ASN   A CA   
792  C  C    . ASN   A 48  ? 0.01185077 0.29425186 0.16150433 0.02369371  0.01227560  -0.01094271 160 ASN   A C    
793  O  O    . ASN   A 48  ? 0.00865130 0.29935443 0.16432501 0.02220455  0.00924504  -0.01014234 160 ASN   A O    
794  C  CB   . ASN   A 48  ? 0.01928497 0.29554874 0.16235922 0.01837586  0.01291640  -0.00657188 160 ASN   A CB   
795  C  CG   . ASN   A 48  ? 0.04196177 0.29741853 0.16872096 0.02241494  0.00466739  -0.00475091 160 ASN   A CG   
796  O  OD1  . ASN   A 48  ? 0.05935086 0.31317490 0.17821614 0.02912257  -0.00683597 -0.00056592 160 ASN   A OD1  
797  N  ND2  . ASN   A 48  ? 0.04403023 0.29551417 0.17757747 0.01906174  0.00477703  0.00066581  160 ASN   A ND2  
798  H  H    . ASN   A 48  ? 0.00931363 0.28724533 0.15406455 0.01255054  0.01357021  -0.00845280 160 ASN   A H    
799  H  HA   . ASN   A 48  ? 0.01547733 0.29133439 0.15942982 0.01681381  0.01466376  -0.00905301 160 ASN   A HA   
800  H  HB2  . ASN   A 48  ? 0.02183765 0.29465145 0.16254734 0.01879207  0.01218710  -0.00686756 160 ASN   A HB2  
801  H  HB3  . ASN   A 48  ? 0.01969218 0.29486024 0.16286942 0.01812726  0.01201141  -0.00674466 160 ASN   A HB3  
802  H  HD21 . ASN   A 48  ? 0.04365813 0.29552966 0.17533991 0.01968169  0.00528177  -0.00070675 160 ASN   A HD21 
803  H  HD22 . ASN   A 48  ? 0.04383621 0.29535228 0.17555098 0.01990458  0.00494952  -0.00049523 160 ASN   A HD22 
804  N  N    . PRO   A 49  ? 0.00887330 0.30066788 0.16733687 0.02085147  0.01203740  -0.01439085 161 PRO   A N    
805  C  CA   . PRO   A 49  ? 0.01023254 0.30379832 0.16803983 0.01897455  0.00814134  -0.01523893 161 PRO   A CA   
806  C  C    . PRO   A 49  ? 0.01836062 0.30494159 0.17323583 0.01830806  0.00354110  -0.01574426 161 PRO   A C    
807  O  O    . PRO   A 49  ? 0.02131201 0.30704707 0.18524991 0.01455684  0.00803708  -0.01412565 161 PRO   A O    
808  C  CB   . PRO   A 49  ? 0.01451106 0.30477339 0.16758135 0.02131239  0.00632079  -0.01438810 161 PRO   A CB   
809  C  CG   . PRO   A 49  ? 0.01025539 0.30327868 0.16519506 0.02553501  0.00580940  -0.01334613 161 PRO   A CG   
810  C  CD   . PRO   A 49  ? 0.00880275 0.30233121 0.16583939 0.02380608  0.00813504  -0.01558931 161 PRO   A CD   
811  H  HA   . PRO   A 49  ? 0.01107557 0.30348539 0.16789974 0.01935274  0.00882932  -0.01498361 161 PRO   A HA   
812  H  HB2  . PRO   A 49  ? 0.01395352 0.30415326 0.16734956 0.02176328  0.00634662  -0.01432283 161 PRO   A HB2  
813  H  HB3  . PRO   A 49  ? 0.01359193 0.30408537 0.16741303 0.02167690  0.00629652  -0.01424802 161 PRO   A HB3  
814  H  HG2  . PRO   A 49  ? 0.01106859 0.30307424 0.16508536 0.02584449  0.00501010  -0.01351636 161 PRO   A HG2  
815  H  HG3  . PRO   A 49  ? 0.01042761 0.30327964 0.16549346 0.02503105  0.00613423  -0.01380031 161 PRO   A HG3  
816  H  HD2  . PRO   A 49  ? 0.00879711 0.30190188 0.16619779 0.02336889  0.00869835  -0.01527354 161 PRO   A HD2  
817  H  HD3  . PRO   A 49  ? 0.00879896 0.30185109 0.16572599 0.02345623  0.00859946  -0.01503481 161 PRO   A HD3  
818  N  N    . ARG   A 50  ? 0.02730251 0.30676478 0.17480999 0.02379302  -0.00028598 -0.01619259 162 ARG   A N    
819  C  CA   . ARG   A 50  ? 0.02616300 0.31028908 0.18139488 0.01980926  -0.00525921 -0.01838147 162 ARG   A CA   
820  C  C    . ARG   A 50  ? 0.04113242 0.31787276 0.18538746 0.02028112  -0.00453292 -0.02118039 162 ARG   A C    
821  O  O    . ARG   A 50  ? 0.05203053 0.31545615 0.18437640 0.01446358  0.00130946  -0.02155641 162 ARG   A O    
822  C  CB   . ARG   A 50  ? 0.02329371 0.30751193 0.18184684 0.02440888  -0.00278248 -0.01775686 162 ARG   A CB   
823  C  CG   . ARG   A 50  ? 0.03050179 0.30507672 0.18184252 0.02420646  -0.00453555 -0.01745415 162 ARG   A CG   
824  C  CD   . ARG   A 50  ? 0.03986914 0.30833626 0.17755891 0.02731163  -0.00664878 -0.01569267 162 ARG   A CD   
825  N  NE   . ARG   A 50  ? 0.05855440 0.30769861 0.17729960 0.03138345  -0.00225481 -0.01605254 162 ARG   A NE   
826  C  CZ   . ARG   A 50  ? 0.06367760 0.31080490 0.17421533 0.03629147  -0.00330350 -0.01587155 162 ARG   A CZ   
827  N  NH1  . ARG   A 50  ? 0.07417352 0.31013054 0.16958989 0.04346020  -0.00791224 -0.01553576 162 ARG   A NH1  
828  N  NH2  . ARG   A 50  ? 0.07406158 0.30678231 0.18064860 0.03550308  -0.00752169 -0.01827875 162 ARG   A NH2  
829  H  H    . ARG   A 50  ? 0.02652967 0.30705333 0.17549860 0.02257160  -0.00082299 -0.01661028 162 ARG   A H    
830  H  HA   . ARG   A 50  ? 0.02797018 0.31013417 0.18086538 0.02070216  -0.00380266 -0.01835391 162 ARG   A HA   
831  H  HB2  . ARG   A 50  ? 0.02426692 0.30731124 0.18143313 0.02346935  -0.00290940 -0.01763422 162 ARG   A HB2  
832  H  HB3  . ARG   A 50  ? 0.02488936 0.30732131 0.18166877 0.02362998  -0.00328985 -0.01774573 162 ARG   A HB3  
833  H  HG2  . ARG   A 50  ? 0.03092211 0.30550963 0.18097422 0.02460361  -0.00451465 -0.01709911 162 ARG   A HG2  
834  H  HG3  . ARG   A 50  ? 0.03093079 0.30538249 0.18099201 0.02466832  -0.00456419 -0.01710838 162 ARG   A HG3  
835  H  HD2  . ARG   A 50  ? 0.04166344 0.30758315 0.17786770 0.02752235  -0.00523364 -0.01592578 162 ARG   A HD2  
836  H  HD3  . ARG   A 50  ? 0.04182224 0.30767411 0.17805018 0.02760029  -0.00539948 -0.01601312 162 ARG   A HD3  
837  H  HE   . ARG   A 50  ? 0.05708764 0.30831927 0.17670234 0.03119878  -0.00333082 -0.01579540 162 ARG   A HE   
838  H  HH11 . ARG   A 50  ? 0.07200285 0.31014603 0.17005399 0.04179699  -0.00710023 -0.01562695 162 ARG   A HH11 
839  H  HH12 . ARG   A 50  ? 0.07125117 0.31001741 0.17023115 0.04161770  -0.00688008 -0.01569766 162 ARG   A HH12 
840  H  HH21 . ARG   A 50  ? 0.07228933 0.30742586 0.17922331 0.03562129  -0.00612391 -0.01764770 162 ARG   A HH21 
841  H  HH22 . ARG   A 50  ? 0.07252759 0.30761272 0.17905863 0.03513044  -0.00634528 -0.01764696 162 ARG   A HH22 
842  N  N    . PHE   A 51  ? 0.05219803 0.32426465 0.19637650 0.01866445  -0.00954680 -0.01968619 163 PHE   A N    
843  C  CA   . PHE   A 51  ? 0.07565682 0.33525532 0.20307860 0.02266561  -0.01685691 -0.02247870 163 PHE   A CA   
844  C  C    . PHE   A 51  ? 0.10366891 0.34485066 0.21837568 0.03557450  -0.01676042 -0.02241388 163 PHE   A C    
845  O  O    . PHE   A 51  ? 0.12361738 0.34760708 0.22193004 0.03399967  -0.02420398 -0.03017668 163 PHE   A O    
846  C  CB   . PHE   A 51  ? 0.07479774 0.33754522 0.20547657 0.01557694  -0.01316412 -0.01738531 163 PHE   A CB   
847  C  CG   . PHE   A 51  ? 0.06504323 0.34270912 0.20704219 0.01244890  -0.01227823 -0.01059114 163 PHE   A CG   
848  C  CD1  . PHE   A 51  ? 0.06492399 0.34370238 0.20954275 0.01985026  -0.01284878 -0.00919384 163 PHE   A CD1  
849  C  CD2  . PHE   A 51  ? 0.06076302 0.34591824 0.20456988 0.01383310  -0.00412028 -0.00669174 163 PHE   A CD2  
850  C  CE1  . PHE   A 51  ? 0.06705493 0.34933227 0.21602349 0.02087816  -0.00924687 -0.00570142 163 PHE   A CE1  
851  C  CE2  . PHE   A 51  ? 0.05913711 0.34722799 0.21323882 0.01211926  -0.00862980 -0.00483967 163 PHE   A CE2  
852  C  CZ   . PHE   A 51  ? 0.06221758 0.35042566 0.21409090 0.01718044  -0.00641099 -0.00301676 163 PHE   A CZ   
853  H  H    . PHE   A 51  ? 0.05376837 0.32440335 0.19472623 0.01952630  -0.00947279 -0.02043453 163 PHE   A H    
854  H  HA   . PHE   A 51  ? 0.07475550 0.33463460 0.20427921 0.02288952  -0.01543909 -0.02162106 163 PHE   A HA   
855  H  HB2  . PHE   A 51  ? 0.07304560 0.33764356 0.20512976 0.01592206  -0.01375964 -0.01723243 163 PHE   A HB2  
856  H  HB3  . PHE   A 51  ? 0.07314488 0.33770567 0.20517142 0.01593629  -0.01369633 -0.01717743 163 PHE   A HB3  
857  H  HD1  . PHE   A 51  ? 0.06583972 0.34398198 0.20975676 0.01861946  -0.01221071 -0.00880807 163 PHE   A HD1  
858  H  HD2  . PHE   A 51  ? 0.06183303 0.34517884 0.20596968 0.01370950  -0.00611133 -0.00731359 163 PHE   A HD2  
859  H  HE1  . PHE   A 51  ? 0.06553184 0.34835982 0.21491462 0.01982634  -0.00954107 -0.00571686 163 PHE   A HE1  
860  H  HE2  . PHE   A 51  ? 0.06009094 0.34743887 0.21249296 0.01333133  -0.00753991 -0.00483422 163 PHE   A HE2  
861  H  HZ   . PHE   A 51  ? 0.06280235 0.34956992 0.21407057 0.01685293  -0.00704693 -0.00358388 163 PHE   A HZ   
862  N  N    A ASN   A 52  ? 0.12445071 0.34959811 0.22330284 0.04793625  -0.01822806 -0.02032473 164 ASN   A N    
863  N  N    B ASN   A 52  ? 0.12612662 0.35433769 0.22365852 0.04490062  -0.02060342 -0.02232870 164 ASN   A N    
864  C  CA   A ASN   A 52  ? 0.14944538 0.35596496 0.23736905 0.05779308  -0.01746956 -0.01679968 164 ASN   A CA   
865  C  CA   B ASN   A 52  ? 0.15459095 0.36330628 0.24216147 0.05367510  -0.01980987 -0.02020525 164 ASN   A CA   
866  C  C    A ASN   A 52  ? 0.16545196 0.36286950 0.23552437 0.06495620  -0.01970289 -0.01423078 164 ASN   A C    
867  C  C    B ASN   A 52  ? 0.16391024 0.36886072 0.24027348 0.06238076  -0.02189100 -0.01656891 164 ASN   A C    
868  O  O    A ASN   A 52  ? 0.18293069 0.37050706 0.24870570 0.06465638  -0.01668382 -0.00493149 164 ASN   A O    
869  O  O    B ASN   A 52  ? 0.17347139 0.38093454 0.25777638 0.06002999  -0.02301109 -0.00541636 164 ASN   A O    
870  C  CB   A ASN   A 52  ? 0.17031720 0.35986042 0.25206846 0.05350205  -0.01685249 -0.01526575 164 ASN   A CB   
871  C  CB   B ASN   A 52  ? 0.17264131 0.36933780 0.26024818 0.04890990  -0.01537297 -0.02027614 164 ASN   A CB   
872  C  CG   A ASN   A 52  ? 0.19278421 0.36066353 0.26708144 0.05746903  -0.01798110 -0.01196261 164 ASN   A CG   
873  C  CG   B ASN   A 52  ? 0.18071215 0.37889183 0.27340621 0.04986482  -0.02004417 -0.02196467 164 ASN   A CG   
874  O  OD1  A ASN   A 52  ? 0.19618419 0.37005514 0.27547795 0.05597387  -0.01790320 -0.01169175 164 ASN   A OD1  
875  O  OD1  B ASN   A 52  ? 0.19907063 0.39118624 0.27727443 0.04821155  -0.01766749 -0.02367182 164 ASN   A OD1  
876  N  ND2  A ASN   A 52  ? 0.20575213 0.36564636 0.27900755 0.05284723  -0.02124755 -0.01102887 164 ASN   A ND2  
877  N  ND2  B ASN   A 52  ? 0.18967801 0.38442093 0.28865069 0.04988859  -0.00880999 -0.02255876 164 ASN   A ND2  
878  H  H    A ASN   A 52  ? 0.12273133 0.34891403 0.22371140 0.04704938  -0.01775368 -0.02030572 164 ASN   A H    
879  H  H    B ASN   A 52  ? 0.12385319 0.35289168 0.22434439 0.04409837  -0.01964160 -0.02211818 164 ASN   A H    
880  H  HA   A ASN   A 52  ? 0.14955813 0.35612220 0.23628882 0.05685440  -0.01787599 -0.01677746 164 ASN   A HA   
881  H  HA   B ASN   A 52  ? 0.15305145 0.36309749 0.24105960 0.05290396  -0.02006679 -0.01980965 164 ASN   A HA   
882  H  HB2  A ASN   A 52  ? 0.17026542 0.35931581 0.25201952 0.05502534  -0.01681069 -0.01479591 164 ASN   A HB2  
883  H  HB2  B ASN   A 52  ? 0.17133461 0.36972463 0.25958413 0.04988095  -0.01686472 -0.02051882 164 ASN   A HB2  
884  H  HB3  A ASN   A 52  ? 0.17034197 0.35931569 0.25199854 0.05502681  -0.01680410 -0.01479625 164 ASN   A HB3  
885  H  HB3  B ASN   A 52  ? 0.17141804 0.37001204 0.25940096 0.04971686  -0.01685312 -0.02055410 164 ASN   A HB3  
886  H  HD21 A ASN   A 52  ? 0.20547204 0.36479831 0.27703118 0.05374406  -0.02072678 -0.01100807 164 ASN   A HD21 
887  H  HD21 B ASN   A 52  ? 0.18737663 0.38265216 0.28771800 0.04962074  -0.01062692 -0.02229268 164 ASN   A HD21 
888  H  HD22 A ASN   A 52  ? 0.20485738 0.36566031 0.27700597 0.05345631  -0.02090001 -0.01115145 164 ASN   A HD22 
889  H  HD22 B ASN   A 52  ? 0.18990287 0.38312584 0.28769928 0.04999429  -0.00956420 -0.02231156 164 ASN   A HD22 
890  N  N    . GLU   A 53  ? 0.17120142 0.36268187 0.23404469 0.06899540  -0.02119502 -0.01674050 165 GLU   A N    
891  C  CA   . GLU   A 53  ? 0.17946087 0.37153214 0.22254798 0.07376456  -0.02079038 -0.02244814 165 GLU   A CA   
892  C  C    . GLU   A 53  ? 0.19232032 0.37530518 0.21963856 0.08114313  -0.02211124 -0.02512545 165 GLU   A C    
893  O  O    . GLU   A 53  ? 0.18396504 0.37798119 0.21647947 0.08447356  -0.01207257 -0.03106445 165 GLU   A O    
894  C  CB   . GLU   A 53  ? 0.17709056 0.37281734 0.22278266 0.07789956  -0.01341149 -0.02507656 165 GLU   A CB   
895  C  CG   . GLU   A 53  ? 0.17045628 0.38016415 0.22551028 0.08201264  -0.01063978 -0.03166519 165 GLU   A CG   
896  C  CD   . GLU   A 53  ? 0.17382397 0.38963532 0.23567253 0.07546756  -0.00601943 -0.03678176 165 GLU   A CD   
897  O  OE1  . GLU   A 53  ? 0.18959391 0.40124559 0.23742160 0.07064018  -0.00013349 -0.04049113 165 GLU   A OE1  
898  O  OE2  . GLU   A 53  ? 0.17731845 0.40343904 0.25206697 0.07142538  0.00073305  -0.04876787 165 GLU   A OE2  
899  H  H    . GLU   A 53  ? 0.17012002 0.36409461 0.23322612 0.06810752  -0.02116103 -0.01683993 165 GLU   A H    
900  H  HA   . GLU   A 53  ? 0.18028937 0.37072241 0.22385885 0.07457712  -0.01991433 -0.02203103 165 GLU   A HA   
901  H  HB2  . GLU   A 53  ? 0.17709564 0.37328911 0.22276407 0.07827184  -0.01433425 -0.02546798 165 GLU   A HB2  
902  H  HB3  . GLU   A 53  ? 0.17688839 0.37334299 0.22238021 0.07801226  -0.01425006 -0.02528450 165 GLU   A HB3  
903  H  HG2  . GLU   A 53  ? 0.17177799 0.37933964 0.22644866 0.08155835  -0.01011985 -0.03153724 165 GLU   A HG2  
904  H  HG3  . GLU   A 53  ? 0.17230229 0.38019353 0.22630590 0.08061402  -0.01011700 -0.03143597 165 GLU   A HG3  
905  N  N    . ASN   A 54  ? 0.20722111 0.37932694 0.22869132 0.08938736  -0.02596946 -0.02846109 166 ASN   A N    
906  C  CA   . ASN   A 54  ? 0.21176285 0.38967276 0.23964791 0.09539779  -0.02731825 -0.02994800 166 ASN   A CA   
907  C  C    . ASN   A 54  ? 0.20878623 0.38201284 0.23721987 0.09050860  -0.02466701 -0.03191046 166 ASN   A C    
908  O  O    . ASN   A 54  ? 0.18659009 0.37731057 0.23756693 0.09334902  -0.03067956 -0.03742798 166 ASN   A O    
909  C  CB   . ASN   A 54  ? 0.21976484 0.40680027 0.26276982 0.09479883  -0.02855518 -0.02797303 166 ASN   A CB   
910  C  CG   . ASN   A 54  ? 0.23715785 0.42018193 0.28463638 0.10802558  -0.02601196 -0.02569342 166 ASN   A CG   
911  O  OD1  . ASN   A 54  ? 0.25886297 0.45763463 0.30912250 0.10046642  -0.01187957 -0.01922303 166 ASN   A OD1  
912  N  ND2  . ASN   A 54  ? 0.24947505 0.42019325 0.29531866 0.10726240  -0.02515481 -0.02492180 166 ASN   A ND2  
913  H  H    . ASN   A 54  ? 0.20541742 0.37962669 0.22892395 0.08895769  -0.02577287 -0.02825602 166 ASN   A H    
914  H  HA   . ASN   A 54  ? 0.21220700 0.38951862 0.24088915 0.09396064  -0.02701541 -0.02971793 166 ASN   A HA   
915  H  HB2  . ASN   A 54  ? 0.22086386 0.40562826 0.26235777 0.09743555  -0.02783972 -0.02794983 166 ASN   A HB2  
916  H  HB3  . ASN   A 54  ? 0.22058673 0.40563810 0.26163065 0.09734116  -0.02778964 -0.02807276 166 ASN   A HB3  
917  H  HD21 . ASN   A 54  ? 0.24745195 0.41994649 0.29190594 0.10778871  -0.02607762 -0.02541930 166 ASN   A HD21 
918  H  HD22 . ASN   A 54  ? 0.24805121 0.42100883 0.29285020 0.10753606  -0.02593944 -0.02492345 166 ASN   A HD22 
919  N  N    . ASN   A 55  ? 0.20988245 0.37190288 0.23412728 0.09384247  -0.03150539 -0.03318930 167 ASN   A N    
920  C  CA   . ASN   A 55  ? 0.22499366 0.37632871 0.23479713 0.08635067  -0.03189179 -0.03201883 167 ASN   A CA   
921  C  C    . ASN   A 55  ? 0.22829601 0.38118964 0.24537484 0.08159810  -0.02049587 -0.02961271 167 ASN   A C    
922  O  O    . ASN   A 55  ? 0.25740039 0.39029831 0.24659608 0.07649847  -0.02847449 -0.03640182 167 ASN   A O    
923  C  CB   . ASN   A 55  ? 0.23930666 0.37491977 0.24653773 0.08858016  -0.04076567 -0.03231580 167 ASN   A CB   
924  C  CG   . ASN   A 55  ? 0.25428712 0.37535375 0.26001382 0.08983544  -0.04137790 -0.02921661 167 ASN   A CG   
925  O  OD1  . ASN   A 55  ? 0.28804427 0.38057548 0.26787496 0.09814569  -0.04469218 -0.02095844 167 ASN   A OD1  
926  N  ND2  . ASN   A 55  ? 0.26094896 0.37956548 0.27994007 0.09078139  -0.05686879 -0.01902539 167 ASN   A ND2  
927  H  H    . ASN   A 55  ? 0.21256794 0.37433863 0.23419963 0.09201272  -0.03018365 -0.03286735 167 ASN   A H    
928  H  HA   . ASN   A 55  ? 0.22503322 0.37594771 0.23796274 0.08710359  -0.03163246 -0.03163126 167 ASN   A HA   
929  H  HB2  . ASN   A 55  ? 0.23931958 0.37498665 0.24655475 0.08835167  -0.03966671 -0.03185564 167 ASN   A HB2  
930  H  HB3  . ASN   A 55  ? 0.23951580 0.37498969 0.24611695 0.08824207  -0.03975528 -0.03192404 167 ASN   A HB3  
931  H  HD21 . ASN   A 55  ? 0.25883538 0.37808371 0.27518815 0.09076268  -0.05411575 -0.02080128 167 ASN   A HD21 
932  H  HD22 . ASN   A 55  ? 0.25974685 0.37874275 0.27591228 0.09093213  -0.05406833 -0.02128405 167 ASN   A HD22 
933  N  N    . ARG   A 56  ? 0.20855935 0.38211530 0.24278849 0.08233002  -0.00483655 -0.02818273 168 ARG   A N    
934  C  CA   A ARG   A 56  ? 0.19663554 0.38405091 0.24509598 0.07940131  -0.00217525 -0.02744622 168 ARG   A CA   
935  C  CA   B ARG   A 56  ? 0.19524568 0.38394696 0.24468373 0.07908306  -0.00206620 -0.02762339 168 ARG   A CA   
936  C  C    . ARG   A 56  ? 0.17330831 0.37209201 0.22686438 0.06817810  -0.00617037 -0.02683253 168 ARG   A C    
937  O  O    . ARG   A 56  ? 0.15383239 0.37299508 0.22358589 0.07403166  -0.00938814 -0.01813819 168 ARG   A O    
938  C  CB   A ARG   A 56  ? 0.21949653 0.40001017 0.26418942 0.06731150  -0.00264685 -0.02398117 168 ARG   A CB   
939  C  CB   B ARG   A 56  ? 0.21523893 0.39955723 0.26340246 0.06787438  -0.00072684 -0.02424345 168 ARG   A CB   
940  C  CG   A ARG   A 56  ? 0.24300106 0.41856265 0.28091896 0.07459797  0.00769730  -0.02669775 168 ARG   A CG   
941  C  CG   B ARG   A 56  ? 0.23764528 0.41596097 0.27925509 0.07576787  0.00770970  -0.02731037 168 ARG   A CG   
942  C  CD   A ARG   A 56  ? 0.26314062 0.44229800 0.29168713 0.07307840  -0.00146095 -0.02315687 168 ARG   A CD   
943  C  CD   B ARG   A 56  ? 0.25219119 0.43955350 0.28782320 0.07381871  0.00076910  -0.02519095 168 ARG   A CD   
944  N  NE   A ARG   A 56  ? 0.28890634 0.45867932 0.30120450 0.07749960  0.00688246  -0.02935176 168 ARG   A NE   
945  N  NE   B ARG   A 56  ? 0.28388035 0.44787842 0.29654682 0.08011772  0.00458147  -0.03192781 168 ARG   A NE   
946  C  CZ   A ARG   A 56  ? 0.31738883 0.47109336 0.30332738 0.08120532  0.00679491  -0.02815153 168 ARG   A CZ   
947  C  CZ   B ARG   A 56  ? 0.29263723 0.46989930 0.29023677 0.08176553  0.00999676  -0.03300760 168 ARG   A CZ   
948  N  NH1  A ARG   A 56  ? 0.32818741 0.48071229 0.31637925 0.08347275  0.00621870  -0.02835652 168 ARG   A NH1  
949  N  NH1  B ARG   A 56  ? 0.30485934 0.46944427 0.28983068 0.08504191  0.00982645  -0.03166287 168 ARG   A NH1  
950  N  NH2  A ARG   A 56  ? 0.32724893 0.47592181 0.30729574 0.07615606  0.00293536  -0.02661123 168 ARG   A NH2  
951  N  NH2  B ARG   A 56  ? 0.30890059 0.47452050 0.30138075 0.08408333  0.00552295  -0.03318231 168 ARG   A NH2  
952  H  H    . ARG   A 56  ? 0.20810336 0.38207799 0.24256514 0.08190988  -0.00630367 -0.02844093 168 ARG   A H    
953  H  HA   A ARG   A 56  ? 0.19711018 0.38386619 0.24460675 0.07684384  -0.00313731 -0.02656350 168 ARG   A HA   
954  H  HA   B ARG   A 56  ? 0.19587564 0.38378161 0.24424542 0.07678324  -0.00277027 -0.02668812 168 ARG   A HA   
955  H  HB2  A ARG   A 56  ? 0.21883970 0.39923573 0.26366860 0.07049601  -0.00030510 -0.02462599 168 ARG   A HB2  
956  H  HB2  B ARG   A 56  ? 0.21532051 0.39855665 0.26309031 0.07091229  0.00079766  -0.02490447 168 ARG   A HB2  
957  H  HB3  A ARG   A 56  ? 0.21877383 0.39938551 0.26336235 0.07040866  -0.00027278 -0.02466275 168 ARG   A HB3  
958  H  HB3  B ARG   A 56  ? 0.21515645 0.39861369 0.26261568 0.07087529  0.00078560  -0.02495345 168 ARG   A HB3  
959  H  HG2  A ARG   A 56  ? 0.24297330 0.41871452 0.28007627 0.07355899  0.00465295  -0.02509827 168 ARG   A HG2  
960  H  HG2  B ARG   A 56  ? 0.23702642 0.41674280 0.27834010 0.07454660  0.00555848  -0.02595828 168 ARG   A HG2  
961  H  HG3  A ARG   A 56  ? 0.24288736 0.41865808 0.28007960 0.07348415  0.00474565  -0.02489576 168 ARG   A HG3  
962  H  HG3  B ARG   A 56  ? 0.23684521 0.41667187 0.27823263 0.07442322  0.00568727  -0.02574356 168 ARG   A HG3  
963  H  HD2  A ARG   A 56  ? 0.26214439 0.44210398 0.29211491 0.07458907  0.00228430  -0.02449914 168 ARG   A HD2  
964  H  HD2  B ARG   A 56  ? 0.25403023 0.43759799 0.28873575 0.07574254  0.00312254  -0.02619992 168 ARG   A HD2  
965  H  HD3  A ARG   A 56  ? 0.26268351 0.44241494 0.29244739 0.07440968  0.00238554  -0.02465652 168 ARG   A HD3  
966  H  HD3  B ARG   A 56  ? 0.25443262 0.43783218 0.28894150 0.07536939  0.00297918  -0.02653634 168 ARG   A HD3  
967  H  HE   A ARG   A 56  ? 0.29117167 0.45749962 0.30278742 0.07711141  0.00511532  -0.02752849 168 ARG   A HE   
968  H  HE   B ARG   A 56  ? 0.28038371 0.45040417 0.29648018 0.07850704  0.00504768  -0.03072449 168 ARG   A HE   
969  H  HH11 A ARG   A 56  ? 0.32911408 0.48004818 0.31342191 0.08306053  0.00616682  -0.02770882 168 ARG   A HH11 
970  H  HH11 B ARG   A 56  ? 0.30651146 0.47052747 0.29146439 0.08411651  0.00983497  -0.03137381 168 ARG   A HH11 
971  H  HH12 A ARG   A 56  ? 0.32949275 0.47942734 0.31344348 0.08334350  0.00611572  -0.02776970 168 ARG   A HH12 
972  H  HH12 B ARG   A 56  ? 0.30591434 0.47027957 0.29147649 0.08517748  0.00967467  -0.03139745 168 ARG   A HH12 
973  H  HH21 A ARG   A 56  ? 0.32655710 0.47677785 0.30574352 0.07706639  0.00284060  -0.02698620 168 ARG   A HH21 
974  H  HH21 B ARG   A 56  ? 0.30898815 0.47485173 0.29767931 0.08271073  0.00542599  -0.03297260 168 ARG   A HH21 
975  H  HH22 A ARG   A 56  ? 0.32801694 0.47610581 0.30573255 0.07711061  0.00290148  -0.02701150 168 ARG   A HH22 
976  H  HH22 B ARG   A 56  ? 0.30671543 0.47552651 0.29766136 0.08261131  0.00553807  -0.03295623 168 ARG   A HH22 
977  N  N    . ARG   A 57  ? 0.12869190 0.35334408 0.21026163 0.05909296  -0.00597301 -0.03548843 169 ARG   A N    
978  C  CA   . ARG   A 57  ? 0.12253699 0.34432632 0.20425284 0.05146059  -0.00269100 -0.03956841 169 ARG   A CA   
979  C  C    . ARG   A 57  ? 0.09877763 0.33903784 0.19882804 0.04705549  0.00528434  -0.04058487 169 ARG   A C    
980  O  O    . ARG   A 57  ? 0.13238855 0.35351437 0.21786256 0.02540620  0.02718311  -0.04823325 169 ARG   A O    
981  C  CB   . ARG   A 57  ? 0.12770455 0.35642648 0.21365422 0.06257576  -0.00716886 -0.03775094 169 ARG   A CB   
982  C  CG   . ARG   A 57  ? 0.14713489 0.36615145 0.22887999 0.06145163  -0.01113531 -0.03907272 169 ARG   A CG   
983  C  CD   . ARG   A 57  ? 0.16363277 0.38693434 0.24322909 0.06552073  -0.02252887 -0.03550962 169 ARG   A CD   
984  N  NE   . ARG   A 57  ? 0.18915254 0.40559220 0.24756165 0.06737123  -0.02790667 -0.03107356 169 ARG   A NE   
985  C  CZ   . ARG   A 57  ? 0.21522854 0.42501962 0.26025212 0.07795037  -0.03581490 -0.02166690 169 ARG   A CZ   
986  N  NH1  . ARG   A 57  ? 0.23014638 0.43245190 0.24945508 0.08397315  -0.02894542 -0.02223872 169 ARG   A NH1  
987  N  NH2  . ARG   A 57  ? 0.22355226 0.44325149 0.28492028 0.07284348  -0.02979559 -0.01933909 169 ARG   A NH2  
988  H  H    . ARG   A 57  ? 0.13583530 0.35492647 0.21040685 0.05951394  -0.00504193 -0.03445641 169 ARG   A H    
989  H  HA   . ARG   A 57  ? 0.12002961 0.34567094 0.20493235 0.05320919  -0.00247969 -0.03877975 169 ARG   A HA   
990  H  HB2  . ARG   A 57  ? 0.12994872 0.35535711 0.21407881 0.06076819  -0.00694838 -0.03805893 169 ARG   A HB2  
991  H  HB3  . ARG   A 57  ? 0.12865266 0.35428149 0.21376926 0.06115700  -0.00654210 -0.03810377 169 ARG   A HB3  
992  H  HG2  . ARG   A 57  ? 0.14606698 0.36703777 0.22813886 0.06223406  -0.01235393 -0.03832845 169 ARG   A HG2  
993  H  HG3  . ARG   A 57  ? 0.14619577 0.36699796 0.22803308 0.06238035  -0.01223645 -0.03834134 169 ARG   A HG3  
994  H  HD2  . ARG   A 57  ? 0.16546541 0.38614804 0.24210300 0.06539510  -0.02143368 -0.03511918 169 ARG   A HD2  
995  H  HD3  . ARG   A 57  ? 0.16535562 0.38621563 0.24209942 0.06537861  -0.02132618 -0.03507801 169 ARG   A HD3  
996  H  HE   . ARG   A 57  ? 0.18829183 0.40436047 0.24772863 0.06890672  -0.02818146 -0.03052454 169 ARG   A HE   
997  H  HH11 . ARG   A 57  ? 0.22860877 0.43142980 0.25168818 0.08324996  -0.03005413 -0.02254044 169 ARG   A HH11 
998  H  HH12 . ARG   A 57  ? 0.22910695 0.43111616 0.25131536 0.08375178  -0.03034131 -0.02252165 169 ARG   A HH12 
999  H  HH21 . ARG   A 57  ? 0.22299375 0.43932456 0.28175664 0.07380983  -0.02910756 -0.02072607 169 ARG   A HH21 
1000 H  HH22 . ARG   A 57  ? 0.22061148 0.43881702 0.28010231 0.07451866  -0.03082176 -0.02110178 169 ARG   A HH22 
1001 N  N    . VAL   A 58  ? 0.07320071 0.31940174 0.19753568 0.04291199  0.00593236  -0.03512461 170 VAL   A N    
1002 C  CA   . VAL   A 58  ? 0.06372367 0.31653416 0.19472417 0.04020616  0.00861416  -0.03612949 170 VAL   A CA   
1003 C  C    . VAL   A 58  ? 0.03709367 0.31313461 0.18705328 0.03445656  0.00547663  -0.03059923 170 VAL   A C    
1004 O  O    . VAL   A 58  ? 0.03648579 0.31620759 0.20192659 0.03300137  0.01287548  -0.03208433 170 VAL   A O    
1005 C  CB   . VAL   A 58  ? 0.07196485 0.31831890 0.20276728 0.04048467  0.00216124  -0.03667368 170 VAL   A CB   
1006 C  CG1  . VAL   A 58  ? 0.08669915 0.32372320 0.20296727 0.03908657  -0.00112468 -0.03380247 170 VAL   A CG1  
1007 C  CG2  . VAL   A 58  ? 0.06822088 0.32451749 0.20914559 0.03763241  0.00145784  -0.03720244 170 VAL   A CG2  
1008 H  H    . VAL   A 58  ? 0.07533812 0.32190573 0.19678453 0.04316826  0.00722620  -0.03601953 170 VAL   A H    
1009 H  HA   . VAL   A 58  ? 0.06252201 0.31667197 0.19463879 0.03962321  0.00704271  -0.03514862 170 VAL   A HA   
1010 H  HB   . VAL   A 58  ? 0.07210689 0.31872928 0.20269701 0.04028194  0.00280520  -0.03636157 170 VAL   A HB   
1011 H  HG11 . VAL   A 58  ? 0.08461896 0.32309067 0.20314558 0.03884635  -0.00070599 -0.03361099 170 VAL   A HG11 
1012 H  HG12 . VAL   A 58  ? 0.08461226 0.32282335 0.20293967 0.03958729  -0.00035446 -0.03399986 170 VAL   A HG12 
1013 H  HG13 . VAL   A 58  ? 0.08525295 0.32278591 0.20311888 0.03941074  -0.00036820 -0.03414127 170 VAL   A HG13 
1014 H  HG21 . VAL   A 58  ? 0.06960332 0.32326639 0.20808946 0.03789412  0.00153801  -0.03707990 170 VAL   A HG21 
1015 H  HG22 . VAL   A 58  ? 0.06972047 0.32364148 0.20834345 0.03783528  0.00148926  -0.03710832 170 VAL   A HG22 
1016 H  HG23 . VAL   A 58  ? 0.06935559 0.32340384 0.20791893 0.03765353  0.00148918  -0.03687638 170 VAL   A HG23 
1017 N  N    . ILE   A 59  ? 0.02730455 0.31212896 0.17930534 0.03354411  0.00477947  -0.02751447 171 ILE   A N    
1018 C  CA   . ILE   A 59  ? 0.03678925 0.31635880 0.17377533 0.02914184  0.00994405  -0.02780238 171 ILE   A CA   
1019 C  C    . ILE   A 59  ? 0.02440400 0.31185365 0.16710155 0.02395833  0.01510764  -0.02300913 171 ILE   A C    
1020 O  O    . ILE   A 59  ? 0.03461188 0.32892334 0.17288990 0.01554099  0.03185691  -0.02085274 171 ILE   A O    
1021 C  CB   . ILE   A 59  ? 0.05729491 0.32609820 0.18883298 0.03478515  0.00152368  -0.02513572 171 ILE   A CB   
1022 C  CG1  . ILE   A 59  ? 0.07735500 0.33567739 0.19147345 0.04028517  0.00274659  -0.02990993 171 ILE   A CG1  
1023 C  CG2  . ILE   A 59  ? 0.06338482 0.32821220 0.18988435 0.03625152  -0.00043326 -0.02697274 171 ILE   A CG2  
1024 C  CD1  . ILE   A 59  ? 0.08048329 0.34073848 0.20269123 0.03785958  0.00599164  -0.03478562 171 ILE   A CD1  
1025 H  H    . ILE   A 59  ? 0.03141730 0.31284857 0.17927051 0.03274348  0.00623356  -0.02798023 171 ILE   A H    
1026 H  HA   . ILE   A 59  ? 0.03593862 0.31602871 0.17513974 0.02968741  0.00913422  -0.02657195 171 ILE   A HA   
1027 H  HB   . ILE   A 59  ? 0.05832240 0.32692540 0.18731014 0.03423401  0.00316826  -0.02597084 171 ILE   A HB   
1028 H  HG12 . ILE   A 59  ? 0.07383446 0.33465075 0.19247617 0.03905660  0.00301297  -0.02955939 171 ILE   A HG12 
1029 H  HG13 . ILE   A 59  ? 0.07423364 0.33485860 0.19266658 0.03919112  0.00300740  -0.02980647 171 ILE   A HG13 
1030 H  HG21 . ILE   A 59  ? 0.06277840 0.32776546 0.18973073 0.03608682  -0.00000525 -0.02669335 171 ILE   A HG21 
1031 H  HG22 . ILE   A 59  ? 0.06351614 0.32777566 0.18975548 0.03628497  -0.00008045 -0.02667051 171 ILE   A HG22 
1032 H  HG23 . ILE   A 59  ? 0.06263493 0.32756907 0.18954906 0.03607507  -0.00002408 -0.02656713 171 ILE   A HG23 
1033 H  HD11 . ILE   A 59  ? 0.08049622 0.33992934 0.20066299 0.03831981  0.00518329  -0.03384001 171 ILE   A HD11 
1034 H  HD12 . ILE   A 59  ? 0.08058259 0.33980083 0.20164055 0.03854077  0.00552096  -0.03379659 171 ILE   A HD12 
1035 H  HD13 . ILE   A 59  ? 0.08052395 0.34009212 0.20091823 0.03855537  0.00523316  -0.03425442 171 ILE   A HD13 
1036 N  N    . VAL   A 60  ? 0.01461614 0.30848986 0.16608199 0.02133663  0.01292649  -0.01993128 172 VAL   A N    
1037 C  CA   . VAL   A 60  ? 0.01836213 0.30854267 0.16085424 0.01819783  0.01429123  -0.01435744 172 VAL   A CA   
1038 C  C    . VAL   A 60  ? 0.00877525 0.30529851 0.15938352 0.01552380  0.01518511  -0.01188157 172 VAL   A C    
1039 O  O    . VAL   A 60  ? 0.00914031 0.30905926 0.16737041 0.01703482  0.01635307  -0.01531284 172 VAL   A O    
1040 C  CB   . VAL   A 60  ? 0.04246441 0.31263751 0.16966359 0.01742019  0.01827964  -0.01043506 172 VAL   A CB   
1041 C  CG1  . VAL   A 60  ? 0.05737875 0.31418014 0.16882449 0.01511382  0.01560712  -0.00935684 172 VAL   A CG1  
1042 C  CG2  . VAL   A 60  ? 0.05623020 0.31434804 0.17371832 0.01996885  0.02025639  -0.01041061 172 VAL   A CG2  
1043 H  H    . VAL   A 60  ? 0.01590801 0.30870718 0.16516641 0.02060256  0.01390241  -0.01953738 172 VAL   A H    
1044 H  HA   . VAL   A 60  ? 0.01886541 0.30852467 0.16210133 0.01811239  0.01517141  -0.01426441 172 VAL   A HA   
1045 H  HB   . VAL   A 60  ? 0.04275461 0.31213725 0.16837639 0.01726463  0.01818265  -0.01058864 172 VAL   A HB   
1046 H  HG11 . VAL   A 60  ? 0.05733354 0.31373978 0.16892502 0.01559255  0.01605808  -0.00933489 172 VAL   A HG11 
1047 H  HG12 . VAL   A 60  ? 0.05514529 0.31400043 0.16895385 0.01536039  0.01602870  -0.00914358 172 VAL   A HG12 
1048 H  HG13 . VAL   A 60  ? 0.05523238 0.31376320 0.16895021 0.01556362  0.01612080  -0.00934566 172 VAL   A HG13 
1049 H  HG21 . VAL   A 60  ? 0.05412264 0.31402892 0.17315118 0.01976892  0.02002486  -0.01043753 172 VAL   A HG21 
1050 H  HG22 . VAL   A 60  ? 0.05415062 0.31398714 0.17342131 0.01984539  0.02042503  -0.01016890 172 VAL   A HG22 
1051 H  HG23 . VAL   A 60  ? 0.05628161 0.31423897 0.17313878 0.01978126  0.02017265  -0.01029261 172 VAL   A HG23 
1052 N  N    . CYS   A 61  ? 0.00886592 0.30866671 0.14994548 0.00972425  0.01494635  -0.00884509 173 CYS   A N    
1053 C  CA   . CYS   A 61  ? 0.00696799 0.30988222 0.14955606 0.01277735  0.00344759  -0.00683956 173 CYS   A CA   
1054 C  C    . CYS   A 61  ? 0.00705262 0.30661017 0.14518814 0.01270731  0.00482737  -0.00477018 173 CYS   A C    
1055 O  O    . CYS   A 61  ? 0.00800654 0.31636047 0.15640190 0.01992154  0.00759369  -0.00145935 173 CYS   A O    
1056 C  CB   . CYS   A 61  ? 0.02017019 0.31315136 0.15787077 0.01018199  -0.00203354 -0.00586250 173 CYS   A CB   
1057 S  SG   . CYS   A 61  ? 0.05573390 0.32919997 0.16413763 0.00949425  -0.01679528 -0.00568622 173 CYS   A SG   
1058 H  H    . CYS   A 61  ? 0.01044165 0.30810404 0.15048350 0.01186137  0.01682463  -0.00937025 173 CYS   A H    
1059 H  HA   . CYS   A 61  ? 0.00742705 0.30929333 0.14972790 0.01157309  0.00591503  -0.00650018 173 CYS   A HA   
1060 H  HB2  . CYS   A 61  ? 0.02080292 0.31416684 0.15647864 0.01021463  -0.00160071 -0.00584295 173 CYS   A HB2  
1061 H  HB3  . CYS   A 61  ? 0.02201537 0.31393814 0.15677714 0.01046608  -0.00266531 -0.00593899 173 CYS   A HB3  
1062 H  HG   . CYS   A 61  ? 0.18669693 0.18669693 0.18669693 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
1063 N  N    . ASN   A 62  ? 0.00653182 0.30332565 0.14119871 0.00669157  0.00251440  -0.00183556 174 ASN   A N    
1064 C  CA   . ASN   A 62  ? 0.00651925 0.30652481 0.14170435 0.00746362  0.00035195  -0.00113908 174 ASN   A CA   
1065 C  C    . ASN   A 62  ? 0.00661694 0.30930001 0.14183652 0.00865640  -0.00221552 0.00081806  174 ASN   A C    
1066 O  O    . ASN   A 62  ? 0.00655306 0.31880802 0.14465648 0.00800634  0.00143748  -0.00067581 174 ASN   A O    
1067 C  CB   . ASN   A 62  ? 0.00661511 0.30559415 0.14511521 0.00846794  -0.00250379 -0.00227832 174 ASN   A CB   
1068 C  CG   . ASN   A 62  ? 0.00646912 0.30665863 0.14671050 0.00513614  -0.00265614 -0.00248370 174 ASN   A CG   
1069 O  OD1  . ASN   A 62  ? 0.00690824 0.30872184 0.15325747 0.00920219  -0.00654797 0.00138079  174 ASN   A OD1  
1070 N  ND2  . ASN   A 62  ? 0.00811818 0.30786294 0.14874834 0.00202310  -0.00797959 -0.00358439 174 ASN   A ND2  
1071 H  H    . ASN   A 62  ? 0.00669204 0.30330569 0.14194909 0.01003335  0.00159779  -0.00198567 174 ASN   A H    
1072 H  HA   . ASN   A 62  ? 0.00651324 0.30605972 0.14212562 0.00735644  0.00007578  -0.00098886 174 ASN   A HA   
1073 H  HB2  . ASN   A 62  ? 0.00656949 0.30556083 0.14470150 0.00790216  -0.00203126 -0.00213560 174 ASN   A HB2  
1074 H  HB3  . ASN   A 62  ? 0.00658550 0.30560476 0.14478019 0.00800334  -0.00237808 -0.00220166 174 ASN   A HB3  
1075 H  HD21 . ASN   A 62  ? 0.00723728 0.30700439 0.14795826 0.00281016  -0.00682207 -0.00335650 174 ASN   A HD21 
1076 H  HD22 . ASN   A 62  ? 0.00794840 0.30737609 0.14773883 0.00292786  -0.00725570 -0.00327873 174 ASN   A HD22 
1077 N  N    . THR   A 63  ? 0.00633766 0.31216556 0.14062402 0.00056897  -0.00072859 0.00147497  175 THR   A N    
1078 C  CA   . THR   A 63  ? 0.00633943 0.31514043 0.14375749 -0.00140114 -0.00025312 0.00071673  175 THR   A CA   
1079 C  C    . THR   A 63  ? 0.00633764 0.32497007 0.14879446 0.00082516  -0.00063256 0.00354122  175 THR   A C    
1080 O  O    . THR   A 63  ? 0.01019630 0.33011395 0.15416811 0.01268192  0.00168714  0.00657554  175 THR   A O    
1081 C  CB   . THR   A 63  ? 0.00669343 0.31707287 0.14672109 -0.00970864 0.00276641  0.00236957  175 THR   A CB   
1082 O  OG1  . THR   A 63  ? 0.00665321 0.32141227 0.14668377 -0.01003779 0.00024717  0.00282571  175 THR   A OG1  
1083 C  CG2  . THR   A 63  ? 0.00670498 0.31769943 0.15036017 -0.01034093 0.00201652  0.00073564  175 THR   A CG2  
1084 H  H    . THR   A 63  ? 0.00636870 0.31134737 0.14129613 0.00246036  -0.00146942 0.00133255  175 THR   A H    
1085 H  HA   . THR   A 63  ? 0.00635711 0.31560940 0.14383638 -0.00030316 -0.00182593 0.00182830  175 THR   A HA   
1086 H  HB   . THR   A 63  ? 0.00658243 0.31758738 0.14719203 -0.00842642 0.00168913  0.00217546  175 THR   A HB   
1087 H  HG1  . THR   A 63  ? 0.15609793 0.15609793 0.15609793 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1088 H  HG21 . THR   A 63  ? 0.00668182 0.31722540 0.14961690 -0.00988382 0.00220639  0.00101632  175 THR   A HG21 
1089 H  HG22 . THR   A 63  ? 0.00664123 0.31699586 0.14961912 -0.00925094 0.00214837  0.00103676  175 THR   A HG22 
1090 H  HG23 . THR   A 63  ? 0.00667731 0.31761152 0.15005112 -0.00982391 0.00220383  0.00087762  175 THR   A HG23 
1091 N  N    . LYS   A 64  ? 0.00644153 0.32863653 0.14512962 0.00317890  0.00330684  0.00263371  176 LYS   A N    
1092 C  CA   . LYS   A 64  ? 0.01273708 0.33762199 0.14928198 0.00532709  -0.00177872 0.00344791  176 LYS   A CA   
1093 C  C    . LYS   A 64  ? 0.00796095 0.33937651 0.15315996 0.01281101  -0.01282733 0.00219422  176 LYS   A C    
1094 O  O    . LYS   A 64  ? 0.00845308 0.34641743 0.16042873 0.02056344  -0.01180248 -0.00294087 176 LYS   A O    
1095 C  CB   . LYS   A 64  ? 0.03765447 0.34236199 0.16186033 -0.00490517 0.00743262  0.00234654  176 LYS   A CB   
1096 C  CG   . LYS   A 64  ? 0.08576118 0.35420358 0.17890473 0.00029254  0.00825743  0.00570311  176 LYS   A CG   
1097 C  CD   . LYS   A 64  ? 0.11305892 0.36495507 0.20411921 -0.01530332 0.01759611  0.00549504  176 LYS   A CD   
1098 C  CE   . LYS   A 64  ? 0.15047835 0.37423772 0.22652330 -0.01293530 0.01963888  0.00627032  176 LYS   A CE   
1099 N  NZ   . LYS   A 64  ? 0.16850194 0.38256973 0.24567311 -0.02573277 0.02659751  0.00079844  176 LYS   A NZ   
1100 H  H    . LYS   A 64  ? 0.00638055 0.32865065 0.14641105 0.00271616  0.00189662  0.00281432  176 LYS   A H    
1101 H  HA   . LYS   A 64  ? 0.01333634 0.33645457 0.15073933 0.00520463  -0.00159403 0.00310784  176 LYS   A HA   
1102 H  HB2  . LYS   A 64  ? 0.03931510 0.34283751 0.16109359 -0.00202014 0.00604282  0.00305193  176 LYS   A HB2  
1103 H  HB3  . LYS   A 64  ? 0.03945889 0.34290028 0.16124830 -0.00240824 0.00582103  0.00317123  176 LYS   A HB3  
1104 H  HG2  . LYS   A 64  ? 0.07946697 0.35310996 0.17900029 -0.00287014 0.01003550  0.00583177  176 LYS   A HG2  
1105 H  HG3  . LYS   A 64  ? 0.07997903 0.35323232 0.17885973 -0.00314957 0.00990149  0.00567137  176 LYS   A HG3  
1106 H  HD2  . LYS   A 64  ? 0.11394504 0.36439568 0.20294388 -0.01197627 0.01708478  0.00596846  176 LYS   A HD2  
1107 H  HD3  . LYS   A 64  ? 0.11452890 0.36480993 0.20257458 -0.01244272 0.01640684  0.00615341  176 LYS   A HD3  
1108 H  HE2  . LYS   A 64  ? 0.14658719 0.37366486 0.22609630 -0.01540208 0.02104493  0.00579475  176 LYS   A HE2  
1109 H  HE3  . LYS   A 64  ? 0.14655708 0.37385964 0.22569212 -0.01560046 0.02063443  0.00596400  176 LYS   A HE3  
1110 H  HZ1  . LYS   A 64  ? 0.16597943 0.38170928 0.24304911 -0.02371800 0.02534770  0.00226630  176 LYS   A HZ1  
1111 H  HZ2  . LYS   A 64  ? 0.16596644 0.38115299 0.24407537 -0.02314355 0.02656459  0.00196136  176 LYS   A HZ2  
1112 H  HZ3  . LYS   A 64  ? 0.16559643 0.38213319 0.24267495 -0.02330620 0.02570869  0.00138040  176 LYS   A HZ3  
1113 N  N    . LEU   A 65  ? 0.00728960 0.34378445 0.16181087 0.01196687  -0.00895932 0.00392740  177 LEU   A N    
1114 C  CA   . LEU   A 65  ? 0.00778127 0.35441220 0.17040369 0.01357825  -0.00954945 -0.00206375 177 LEU   A CA   
1115 C  C    . LEU   A 65  ? 0.03744117 0.36304080 0.17259632 0.02236518  -0.01495366 0.00146850  177 LEU   A C    
1116 O  O    . LEU   A 65  ? 0.04149271 0.36914223 0.17935306 0.02754463  -0.01501117 0.00388530  177 LEU   A O    
1117 C  CB   . LEU   A 65  ? 0.01956458 0.36012399 0.18472853 0.00194169  -0.01244837 -0.00380434 177 LEU   A CB   
1118 C  CG   . LEU   A 65  ? 0.04271968 0.36835718 0.19225769 0.00157958  -0.00771280 -0.00261420 177 LEU   A CG   
1119 C  CD1  . LEU   A 65  ? 0.05867260 0.37262833 0.21014297 -0.01028788 -0.00848927 0.00111204  177 LEU   A CD1  
1120 C  CD2  . LEU   A 65  ? 0.04918345 0.36796921 0.19821283 0.00255835  -0.00517574 -0.00125187 177 LEU   A CD2  
1121 H  H    . LEU   A 65  ? 0.00745880 0.34283918 0.16120671 0.01332753  -0.00952386 0.00257382  177 LEU   A H    
1122 H  HA   . LEU   A 65  ? 0.00998077 0.35352504 0.17087969 0.01398918  -0.01037998 -0.00073375 177 LEU   A HA   
1123 H  HB2  . LEU   A 65  ? 0.02159687 0.36024523 0.18327194 0.00363601  -0.01116411 -0.00335312 177 LEU   A HB2  
1124 H  HB3  . LEU   A 65  ? 0.02127419 0.36014014 0.18328279 0.00394315  -0.01117870 -0.00336671 177 LEU   A HB3  
1125 H  HG   . LEU   A 65  ? 0.04122663 0.36691505 0.19318423 0.00050327  -0.00774486 -0.00213185 177 LEU   A HG   
1126 H  HD11 . LEU   A 65  ? 0.05744547 0.37283391 0.20693670 -0.00919385 -0.00807892 0.00052107  177 LEU   A HD11 
1127 H  HD12 . LEU   A 65  ? 0.05617414 0.37223250 0.20778070 -0.00809195 -0.00812784 0.00019719  177 LEU   A HD12 
1128 H  HD13 . LEU   A 65  ? 0.05617959 0.37239450 0.20751496 -0.00804228 -0.00804447 0.00100486  177 LEU   A HD13 
1129 H  HD21 . LEU   A 65  ? 0.04887353 0.36758786 0.19677258 0.00282572  -0.00566354 -0.00139734 177 LEU   A HD21 
1130 H  HD22 . LEU   A 65  ? 0.04854105 0.36784756 0.19727217 0.00258747  -0.00562167 -0.00122664 177 LEU   A HD22 
1131 H  HD23 . LEU   A 65  ? 0.04854280 0.36777520 0.19732618 0.00259014  -0.00564989 -0.00155111 177 LEU   A HD23 
1132 N  N    . ASP   A 66  ? 0.05073246 0.37512195 0.16800536 0.02550390  -0.01577742 0.00068347  178 ASP   A N    
1133 C  CA   . ASP   A 66  ? 0.08782879 0.39541036 0.17319474 0.02609918  -0.00865127 0.00660035  178 ASP   A CA   
1134 C  C    . ASP   A 66  ? 0.09889093 0.39403409 0.16774835 0.02334654  0.00585534  0.01238929  178 ASP   A C    
1135 O  O    . ASP   A 66  ? 0.11654799 0.40097153 0.17262986 0.02549156  0.00463360  0.01696083  178 ASP   A O    
1136 C  CB   . ASP   A 66  ? 0.10167231 0.41510320 0.19251026 0.02615635  -0.02228867 0.00361738  178 ASP   A CB   
1137 C  CG   . ASP   A 66  ? 0.13338818 0.43117654 0.22055858 0.02623055  -0.02522983 -0.00227353 178 ASP   A CG   
1138 O  OD1  . ASP   A 66  ? 0.14163995 0.45162272 0.24376674 0.03131408  -0.03139655 -0.00061796 178 ASP   A OD1  
1139 O  OD2  . ASP   A 66  ? 0.17654258 0.46193218 0.27930540 0.00357383  -0.03845328 -0.01264262 178 ASP   A OD2  
1140 H  H    . ASP   A 66  ? 0.05237623 0.37423009 0.16972882 0.02524175  -0.01459373 0.00188890  178 ASP   A H    
1141 H  HA   . ASP   A 66  ? 0.08585209 0.39390087 0.17447226 0.02552995  -0.00987504 0.00604270  178 ASP   A HA   
1142 H  HB2  . ASP   A 66  ? 0.10402003 0.41349512 0.19236495 0.02659559  -0.02049359 0.00367538  178 ASP   A HB2  
1143 H  HB3  . ASP   A 66  ? 0.10428382 0.41396147 0.19243792 0.02660824  -0.02011721 0.00362359  178 ASP   A HB3  
1144 N  N    . ASN   A 67  ? 0.11775392 0.39184576 0.16313501 0.02009301  0.01014271  0.01400854  179 ASN   A N    
1145 C  CA   . ASN   A 67  ? 0.15407993 0.39124495 0.18177783 0.01873940  0.01134216  0.02032775  179 ASN   A CA   
1146 C  C    . ASN   A 67  ? 0.17902572 0.38122970 0.18855198 0.02970820  0.00709056  0.01694619  179 ASN   A C    
1147 O  O    . ASN   A 67  ? 0.23188381 0.38443631 0.22285058 0.02262334  0.00538236  0.01484357  179 ASN   A O    
1148 C  CB   . ASN   A 67  ? 0.17808266 0.39576983 0.19657028 0.01627368  0.01921112  0.02851356  179 ASN   A CB   
1149 C  CG   . ASN   A 67  ? 0.16211611 0.39914274 0.21518770 0.02462661  0.02629168  0.03260056  179 ASN   A CG   
1150 O  OD1  . ASN   A 67  ? 0.17782699 0.39416546 0.21198107 0.03310478  0.03430651  0.03627824  179 ASN   A OD1  
1151 N  ND2  . ASN   A 67  ? 0.16457441 0.40206349 0.23901272 0.02397829  0.02145525  0.04093406  179 ASN   A ND2  
1152 H  H    . ASN   A 67  ? 0.11810659 0.39177525 0.16690870 0.02074897  0.00902257  0.01458877  179 ASN   A H    
1153 H  HA   . ASN   A 67  ? 0.15402369 0.39081740 0.18108201 0.02042538  0.01175465  0.02024901  179 ASN   A HA   
1154 H  HB2  . ASN   A 67  ? 0.17134200 0.39561188 0.19665307 0.01748742  0.01923306  0.02833864  179 ASN   A HB2  
1155 H  HB3  . ASN   A 67  ? 0.17312901 0.39605361 0.19739908 0.01674218  0.01981056  0.02773623  179 ASN   A HB3  
1156 H  HD21 . ASN   A 67  ? 0.16466899 0.40117848 0.23365889 0.02378112  0.02281092  0.03919569  179 ASN   A HD21 
1157 H  HD22 . ASN   A 67  ? 0.16462742 0.40121228 0.23357923 0.02405340  0.02273646  0.03933491  179 ASN   A HD22 
1158 N  N    . ASN   A 68  ? 0.16328156 0.37998986 0.17749120 0.03405795  0.00128448  0.01180896  180 ASN   A N    
1159 C  CA   . ASN   A 68  ? 0.16816603 0.38104969 0.18423212 0.04067714  -0.00155885 0.01107662  180 ASN   A CA   
1160 C  C    . ASN   A 68  ? 0.11326822 0.36011672 0.17932969 0.03901467  -0.00618751 0.00655753  180 ASN   A C    
1161 O  O    . ASN   A 68  ? 0.09321962 0.35594505 0.17508665 0.04497691  -0.01338047 0.00745259  180 ASN   A O    
1162 C  CB   . ASN   A 68  ? 0.18479383 0.39950329 0.19884311 0.04273502  -0.01115770 0.00871360  180 ASN   A CB   
1163 C  CG   . ASN   A 68  ? 0.23559344 0.42259103 0.20706923 0.03985365  -0.00660732 0.01562366  180 ASN   A CG   
1164 O  OD1  . ASN   A 68  ? 0.28018850 0.44719887 0.24072683 0.03455753  -0.01119784 0.00029822  180 ASN   A OD1  
1165 N  ND2  . ASN   A 68  ? 0.27457386 0.42661691 0.22506662 0.04065235  -0.00985827 0.02231653  180 ASN   A ND2  
1166 H  H    . ASN   A 68  ? 0.16528217 0.38021952 0.18003030 0.03409032  0.00175692  0.01263534  180 ASN   A H    
1167 H  HA   . ASN   A 68  ? 0.16078438 0.37976545 0.18484798 0.03982557  -0.00260202 0.01019961  180 ASN   A HA   
1168 H  HB2  . ASN   A 68  ? 0.19023032 0.39983547 0.19698265 0.04305119  -0.00872244 0.01043273  180 ASN   A HB2  
1169 H  HB3  . ASN   A 68  ? 0.18945703 0.39929545 0.19658899 0.04353699  -0.00849087 0.01025527  180 ASN   A HB3  
1170 H  HD21 . ASN   A 68  ? 0.26359242 0.42626864 0.22123724 0.04144256  -0.00922963 0.02223734  180 ASN   A HD21 
1171 H  HD22 . ASN   A 68  ? 0.26552910 0.42621475 0.22340715 0.04123483  -0.00970182 0.02080396  180 ASN   A HD22 
1172 N  N    . TRP   A 69  ? 0.09434492 0.35223836 0.17545025 0.02919883  -0.00651072 0.00833984  181 TRP   A N    
1173 C  CA   . TRP   A 69  ? 0.06499844 0.34280443 0.17305833 0.02239511  -0.00560525 0.00740769  181 TRP   A CA   
1174 C  C    . TRP   A 69  ? 0.05675171 0.35188150 0.18062113 0.02138532  -0.01404828 0.00655203  181 TRP   A C    
1175 O  O    . TRP   A 69  ? 0.07559327 0.36315608 0.19358979 0.03175260  -0.02362679 0.01026974  181 TRP   A O    
1176 C  CB   . TRP   A 69  ? 0.07271569 0.34057480 0.16753286 0.02182807  -0.00000989 0.00460392  181 TRP   A CB   
1177 C  CG   . TRP   A 69  ? 0.07550431 0.33660257 0.16482836 0.01511707  0.00645392  0.00308848  181 TRP   A CG   
1178 C  CD1  . TRP   A 69  ? 0.08103994 0.33621514 0.17021100 0.01169428  0.01048983  0.00366031  181 TRP   A CD1  
1179 C  CD2  . TRP   A 69  ? 0.06378209 0.33447975 0.16122472 0.00931986  0.00994940  0.00060496  181 TRP   A CD2  
1180 N  NE1  . TRP   A 69  ? 0.08081168 0.33632195 0.16880693 0.00505016  0.01126720  0.00294234  181 TRP   A NE1  
1181 C  CE2  . TRP   A 69  ? 0.07175395 0.33611548 0.15545788 0.00554485  0.01781360  0.00289974  181 TRP   A CE2  
1182 C  CE3  . TRP   A 69  ? 0.06253282 0.33435708 0.15562338 0.00727990  0.01280126  -0.00222246 181 TRP   A CE3  
1183 C  CZ2  . TRP   A 69  ? 0.07363058 0.33604032 0.15926783 0.00145665  0.01175008  0.00009163  181 TRP   A CZ2  
1184 C  CZ3  . TRP   A 69  ? 0.06584447 0.33536810 0.15331998 0.00428461  0.00976034  -0.00029238 181 TRP   A CZ3  
1185 C  CH2  . TRP   A 69  ? 0.06451277 0.33586556 0.15278351 0.00438618  0.01087321  -0.00183143 181 TRP   A CH2  
1186 H  H    . TRP   A 69  ? 0.09273688 0.35150820 0.17537783 0.02969552  -0.00607040 0.00772798  181 TRP   A H    
1187 H  HA   . TRP   A 69  ? 0.06868726 0.34420663 0.17351456 0.02380645  -0.00635884 0.00740326  181 TRP   A HA   
1188 H  HB2  . TRP   A 69  ? 0.07240985 0.33976823 0.16785786 0.02079082  0.00011164  0.00480559  181 TRP   A HB2  
1189 H  HB3  . TRP   A 69  ? 0.07231225 0.33994329 0.16773888 0.02068672  0.00009482  0.00474236  181 TRP   A HB3  
1190 H  HD1  . TRP   A 69  ? 0.08012833 0.33622760 0.16897835 0.01108551  0.00998080  0.00330072  181 TRP   A HD1  
1191 H  HE1  . TRP   A 69  ? 0.07966051 0.33613974 0.16651937 0.00639670  0.01220138  0.00307915  181 TRP   A HE1  
1192 H  HE3  . TRP   A 69  ? 0.06355301 0.33406299 0.15606117 0.00662020  0.01192639  -0.00131369 181 TRP   A HE3  
1193 H  HZ2  . TRP   A 69  ? 0.07275888 0.33600438 0.15758125 0.00262330  0.01255263  0.00023756  181 TRP   A HZ2  
1194 H  HZ3  . TRP   A 69  ? 0.06542037 0.33499897 0.15352681 0.00465053  0.01048455  -0.00074944 181 TRP   A HZ3  
1195 H  HH2  . TRP   A 69  ? 0.06576576 0.33560789 0.15357347 0.00446508  0.01034864  -0.00110408 181 TRP   A HH2  
1196 N  N    . GLY   A 70  ? 0.00907969 0.35398024 0.17748758 0.01522053  -0.00703723 0.00491896  182 GLY   A N    
1197 C  CA   . GLY   A 70  ? 0.01416290 0.35487872 0.18388928 0.00755880  -0.00691295 0.00101414  182 GLY   A CA   
1198 C  C    . GLY   A 70  ? 0.01124632 0.35852236 0.18316962 0.00810418  -0.00904310 -0.00057166 182 GLY   A C    
1199 O  O    . GLY   A 70  ? 0.02438352 0.35932416 0.18046369 0.01287687  -0.00800784 0.00304338  182 GLY   A O    
1200 H  H    . GLY   A 70  ? 0.01519054 0.35314757 0.17776625 0.01711041  -0.00993656 0.00565075  182 GLY   A H    
1201 H  HA2  . GLY   A 70  ? 0.01396146 0.35503626 0.18337747 0.00907925  -0.00671114 0.00145444  182 GLY   A HA2  
1202 H  HA3  . GLY   A 70  ? 0.01379015 0.35563052 0.18371645 0.00886607  -0.00708464 0.00142805  182 GLY   A HA3  
1203 N  N    A ARG   A 71  ? 0.01230331 0.36001128 0.18900762 0.00563669  -0.00439092 -0.00315092 183 ARG   A N    
1204 N  N    B ARG   A 71  ? 0.01346795 0.36488599 0.19336678 0.00315893  -0.00324740 -0.00498703 183 ARG   A N    
1205 C  CA   A ARG   A 71  ? 0.01683242 0.36208671 0.19314273 0.01005506  -0.00110417 -0.00451695 183 ARG   A CA   
1206 C  CA   B ARG   A 71  ? 0.02231736 0.37060225 0.19960454 0.00746491  -0.00071077 -0.00880921 183 ARG   A CA   
1207 C  C    A ARG   A 71  ? 0.01376459 0.35936683 0.18410726 0.01350669  0.00436648  -0.00526773 183 ARG   A C    
1208 C  C    B ARG   A 71  ? 0.01612058 0.36447763 0.18907338 0.01017101  0.00662530  -0.00792001 183 ARG   A C    
1209 O  O    A ARG   A 71  ? 0.02270060 0.36172920 0.18737815 0.01758814  0.00078358  -0.00595043 183 ARG   A O    
1210 O  O    B ARG   A 71  ? 0.02554226 0.36724728 0.19318806 0.01086808  0.00631987  -0.00556488 183 ARG   A O    
1211 C  CB   A ARG   A 71  ? 0.01897847 0.36462474 0.20605236 0.01093749  0.00550977  -0.00398194 183 ARG   A CB   
1212 C  CB   B ARG   A 71  ? 0.03048493 0.38068986 0.22151616 0.00319414  0.00888654  -0.01146155 183 ARG   A CB   
1213 C  CG   A ARG   A 71  ? 0.02213173 0.36732143 0.21301836 0.01545732  0.01129841  -0.00375595 183 ARG   A CG   
1214 C  CG   B ARG   A 71  ? 0.03437188 0.39297193 0.23623958 0.00795906  0.00457428  -0.01586290 183 ARG   A CG   
1215 C  CD   A ARG   A 71  ? 0.02558850 0.37147552 0.22354475 0.02030549  0.01029366  -0.00362771 183 ARG   A CD   
1216 C  CD   B ARG   A 71  ? 0.04764009 0.40274441 0.26261520 0.00421554  0.01415197  -0.01496252 183 ARG   A CD   
1217 N  NE   A ARG   A 71  ? 0.01458666 0.37527716 0.23397444 0.02633581  0.01392586  -0.00409789 183 ARG   A NE   
1218 N  NE   B ARG   A 71  ? 0.06913605 0.41742527 0.27474958 0.00605613  0.00435726  -0.01900968 183 ARG   A NE   
1219 C  CZ   A ARG   A 71  ? 0.00908492 0.37835491 0.24322236 0.02479027  0.01584593  -0.00446233 183 ARG   A CZ   
1220 C  CZ   B ARG   A 71  ? 0.09039989 0.42570817 0.30090356 0.01663203  -0.00206285 -0.02032224 183 ARG   A CZ   
1221 N  NH1  A ARG   A 71  ? 0.00863731 0.37625843 0.24815001 0.02100131  0.01614079  -0.00455486 183 ARG   A NH1  
1222 N  NH1  B ARG   A 71  ? 0.08762409 0.43602163 0.32075012 0.01425121  -0.00873780 -0.02308020 183 ARG   A NH1  
1223 N  NH2  A ARG   A 71  ? 0.00907882 0.38216984 0.24180694 0.02270539  0.01768880  -0.00495417 183 ARG   A NH2  
1224 N  NH2  B ARG   A 71  ? 0.09686052 0.43029314 0.30162066 0.02095285  0.00416754  -0.02240200 183 ARG   A NH2  
1225 H  H    A ARG   A 71  ? 0.01333766 0.35997403 0.18909498 0.00648904  -0.00471859 -0.00281653 183 ARG   A H    
1226 H  H    B ARG   A 71  ? 0.01438551 0.36423069 0.19233993 0.00469891  -0.00394111 -0.00482941 183 ARG   A H    
1227 H  HA   A ARG   A 71  ? 0.01619074 0.36154062 0.19251354 0.00991260  0.00002744  -0.00437916 183 ARG   A HA   
1228 H  HA   B ARG   A 71  ? 0.02085595 0.36962968 0.19930057 0.00661677  0.00126436  -0.00826921 183 ARG   A HA   
1229 H  HB2  A ARG   A 71  ? 0.01983999 0.36446196 0.20489532 0.01131049  0.00548108  -0.00410213 183 ARG   A HB2  
1230 H  HB2  B ARG   A 71  ? 0.02974833 0.38093960 0.21960931 0.00477748  0.00630684  -0.01175865 183 ARG   A HB2  
1231 H  HB3  A ARG   A 71  ? 0.01949957 0.36450738 0.20478204 0.01124604  0.00535428  -0.00408722 183 ARG   A HB3  
1232 H  HB3  B ARG   A 71  ? 0.02977018 0.38078827 0.21989815 0.00479375  0.00624595  -0.01166949 183 ARG   A HB3  
1233 H  HG2  A ARG   A 71  ? 0.02260090 0.36704117 0.21360387 0.01541953  0.01035975  -0.00363119 183 ARG   A HG2  
1234 H  HG2  B ARG   A 71  ? 0.03557422 0.39207351 0.23758332 0.00651359  0.00736497  -0.01509290 183 ARG   A HG2  
1235 H  HG3  A ARG   A 71  ? 0.02292635 0.36715680 0.21368288 0.01547566  0.01052963  -0.00364931 183 ARG   A HG3  
1236 H  HG3  B ARG   A 71  ? 0.03555598 0.39203566 0.23759204 0.00653195  0.00742502  -0.01517176 183 ARG   A HG3  
1237 H  HD2  A ARG   A 71  ? 0.02354237 0.37135696 0.22400919 0.02072693  0.01091484  -0.00361408 183 ARG   A HD2  
1238 H  HD2  B ARG   A 71  ? 0.04849091 0.40360790 0.26036698 0.00545239  0.01122613  -0.01555644 183 ARG   A HD2  
1239 H  HD3  A ARG   A 71  ? 0.02363409 0.37147808 0.22364554 0.02087665  0.01097057  -0.00367260 183 ARG   A HD3  
1240 H  HD3  B ARG   A 71  ? 0.04850072 0.40360099 0.26076740 0.00543706  0.01128460  -0.01555884 183 ARG   A HD3  
1241 H  HE   A ARG   A 71  ? 0.01491258 0.37529701 0.23412627 0.02543163  0.01387047  -0.00396650 183 ARG   A HE   
1242 H  HE   B ARG   A 71  ? 0.06871787 0.41608649 0.27688587 0.00755173  0.00569654  -0.01881063 183 ARG   A HE   
1243 H  HH11 A ARG   A 71  ? 0.00873978 0.37635767 0.24746706 0.02174668  0.01624176  -0.00437049 183 ARG   A HH11 
1244 H  HH11 B ARG   A 71  ? 0.08869239 0.43511587 0.31824398 0.01469823  -0.00692594 -0.02261930 183 ARG   A HH11 
1245 H  HH12 A ARG   A 71  ? 0.00873873 0.37637115 0.24748574 0.02174666  0.01623464  -0.00437891 183 ARG   A HH12 
1246 H  HH12 B ARG   A 71  ? 0.08830046 0.43517804 0.31874937 0.01486532  -0.00695251 -0.02240596 183 ARG   A HH12 
1247 H  HH21 A ARG   A 71  ? 0.00909060 0.38148355 0.24227378 0.02319533  0.01737652  -0.00476403 183 ARG   A HH21 
1248 H  HH21 B ARG   A 71  ? 0.09651582 0.43005633 0.30229056 0.02061532  0.00324874  -0.02204040 183 ARG   A HH21 
1249 H  HH22 A ARG   A 71  ? 0.00902350 0.38157338 0.24193752 0.02306413  0.01702610  -0.00474690 183 ARG   A HH22 
1250 H  HH22 B ARG   A 71  ? 0.09654698 0.42980760 0.30283624 0.02043585  0.00353908  -0.02202193 183 ARG   A HH22 
1251 N  N    . GLU   A 72  ? 0.00894106 0.35827416 0.17787053 0.01523957  0.00743483  -0.00516631 184 GLU   A N    
1252 C  CA   . GLU   A 72  ? 0.01482615 0.35551268 0.16937700 0.01354072  0.01021632  -0.00530106 184 GLU   A CA   
1253 C  C    . GLU   A 72  ? 0.00846459 0.35886711 0.17237771 0.01311538  0.01627618  -0.00645579 184 GLU   A C    
1254 O  O    . GLU   A 72  ? 0.00907845 0.36101162 0.18129517 0.01786820  0.01778790  -0.00357803 184 GLU   A O    
1255 C  CB   . GLU   A 72  ? 0.02827643 0.35463834 0.17156306 0.01812250  0.00767189  -0.00457515 184 GLU   A CB   
1256 C  CG   . GLU   A 72  ? 0.03450741 0.35698473 0.17411432 0.01389788  0.00703702  -0.00450113 184 GLU   A CG   
1257 C  CD   . GLU   A 72  ? 0.04872292 0.35955423 0.18749970 0.01492111  0.00668055  -0.00508790 184 GLU   A CD   
1258 O  OE1  . GLU   A 72  ? 0.07296069 0.36313963 0.20209266 0.01549741  0.01724375  -0.00777781 184 GLU   A OE1  
1259 O  OE2  . GLU   A 72  ? 0.06763233 0.36010242 0.19148313 0.00866450  0.01549264  -0.00779824 184 GLU   A OE2  
1260 H  H    . GLU   A 72  ? 0.01175717 0.35816455 0.17945595 0.01439360  0.00688531  -0.00527116 184 GLU   A H    
1261 H  HA   . GLU   A 72  ? 0.01567584 0.35582787 0.17129524 0.01438378  0.01043937  -0.00539022 184 GLU   A HA   
1262 H  HB2  . GLU   A 72  ? 0.02774407 0.35443878 0.17141184 0.01735731  0.00810562  -0.00460186 184 GLU   A HB2  
1263 H  HB3  . GLU   A 72  ? 0.02732585 0.35466802 0.17128327 0.01688055  0.00816918  -0.00455585 184 GLU   A HB3  
1264 H  HG2  . GLU   A 72  ? 0.03609904 0.35650784 0.17552383 0.01514592  0.00692858  -0.00456971 184 GLU   A HG2  
1265 H  HG3  . GLU   A 72  ? 0.03636625 0.35708851 0.17491031 0.01479858  0.00645236  -0.00462463 184 GLU   A HG3  
1266 N  N    . GLU   A 73  ? 0.00745594 0.35678488 0.17077091 0.00462877  0.01311362  -0.00729575 185 GLU   A N    
1267 C  CA   . GLU   A 73  ? 0.01580561 0.36255401 0.17439441 0.00213804  0.02139186  -0.00832616 185 GLU   A CA   
1268 C  C    . GLU   A 73  ? 0.01267876 0.36459672 0.17494556 0.00314517  0.02535476  -0.00932612 185 GLU   A C    
1269 O  O    . GLU   A 73  ? 0.01293265 0.37605113 0.18369266 0.00080298  0.02628946  -0.00614516 185 GLU   A O    
1270 C  CB   . GLU   A 73  ? 0.03418268 0.36261779 0.17730118 -0.00132187 0.02122697  -0.00656670 185 GLU   A CB   
1271 C  CG   . GLU   A 73  ? 0.05653302 0.36664897 0.18243897 -0.00138255 0.01622377  -0.00816462 185 GLU   A CG   
1272 C  CD   . GLU   A 73  ? 0.07311188 0.36937052 0.19091299 -0.00474040 0.01988683  -0.00549797 185 GLU   A CD   
1273 O  OE1  . GLU   A 73  ? 0.09314179 0.38682926 0.19903573 -0.00309333 0.00948345  -0.00182804 185 GLU   A OE1  
1274 O  OE2  . GLU   A 73  ? 0.08774028 0.36697632 0.19625275 -0.00979771 0.01745549  -0.00858201 185 GLU   A OE2  
1275 H  H    . GLU   A 73  ? 0.00795022 0.35748684 0.17108415 0.00662473  0.01552627  -0.00779736 185 GLU   A H    
1276 H  HA   . GLU   A 73  ? 0.01634154 0.36160827 0.17412414 0.00324577  0.02174572  -0.00831404 185 GLU   A HA   
1277 H  HB2  . GLU   A 73  ? 0.03480353 0.36294770 0.17730831 0.00003752  0.02124063  -0.00715219 185 GLU   A HB2  
1278 H  HB3  . GLU   A 73  ? 0.03491495 0.36308628 0.17700985 -0.00053504 0.02070167  -0.00700647 185 GLU   A HB3  
1279 H  HG2  . GLU   A 73  ? 0.05716985 0.36598223 0.18272904 -0.00168111 0.01772878  -0.00756833 185 GLU   A HG2  
1280 H  HG3  . GLU   A 73  ? 0.05543964 0.36554962 0.18292895 -0.00187389 0.01719156  -0.00751932 185 GLU   A HG3  
1281 N  N    . ARG   A 74  ? 0.01164939 0.36919332 0.18507893 0.01468684  0.02875454  -0.00710393 186 ARG   A N    
1282 C  CA   . ARG   A 74  ? 0.02887444 0.37621444 0.19019048 0.01492767  0.02693120  -0.01008596 186 ARG   A CA   
1283 C  C    . ARG   A 74  ? 0.05684065 0.39140189 0.19463506 0.00562283  0.03383661  -0.01098696 186 ARG   A C    
1284 O  O    . ARG   A 74  ? 0.06763358 0.40905148 0.19164641 -0.01106188 0.03552312  -0.01360416 186 ARG   A O    
1285 C  CB   . ARG   A 74  ? 0.05074896 0.37456548 0.19232073 0.02180414  0.02782827  -0.00566410 186 ARG   A CB   
1286 C  CG   . ARG   A 74  ? 0.05754705 0.37525755 0.19493589 0.02856126  0.02716715  -0.00306975 186 ARG   A CG   
1287 C  CD   . ARG   A 74  ? 0.06861964 0.37700236 0.20606798 0.03520085  0.02036479  -0.00371808 186 ARG   A CD   
1288 N  NE   . ARG   A 74  ? 0.09437016 0.37814838 0.20129544 0.03873713  0.01817689  -0.00047798 186 ARG   A NE   
1289 C  CZ   . ARG   A 74  ? 0.10408407 0.37284487 0.20194079 0.04339128  0.01150553  -0.00046065 186 ARG   A CZ   
1290 N  NH1  . ARG   A 74  ? 0.11927754 0.38401037 0.20534874 0.04332207  0.01039871  -0.00245558 186 ARG   A NH1  
1291 N  NH2  . ARG   A 74  ? 0.10057512 0.36795062 0.20034099 0.04598213  0.01126215  0.00028184  186 ARG   A NH2  
1292 H  H    . ARG   A 74  ? 0.01134102 0.36871725 0.18345888 0.01159680  0.02839734  -0.00777980 186 ARG   A H    
1293 H  HA   . ARG   A 74  ? 0.03013417 0.37662077 0.18970674 0.01436614  0.02887295  -0.00911248 186 ARG   A HA   
1294 H  HB2  . ARG   A 74  ? 0.05073277 0.37475067 0.19222853 0.02193924  0.02759743  -0.00582696 186 ARG   A HB2  
1295 H  HB3  . ARG   A 74  ? 0.04860111 0.37482738 0.19222532 0.02181332  0.02766343  -0.00578195 186 ARG   A HB3  
1296 H  HG2  . ARG   A 74  ? 0.05864631 0.37454987 0.19582944 0.02853871  0.02609917  -0.00357982 186 ARG   A HG2  
1297 H  HG3  . ARG   A 74  ? 0.05844279 0.37497598 0.19590276 0.02855549  0.02622706  -0.00355923 186 ARG   A HG3  
1298 H  HD2  . ARG   A 74  ? 0.07060394 0.37652272 0.20347418 0.03458598  0.02103158  -0.00301728 186 ARG   A HD2  
1299 H  HD3  . ARG   A 74  ? 0.07143508 0.37685537 0.20372465 0.03491262  0.02109081  -0.00277115 186 ARG   A HD3  
1300 H  HE   . ARG   A 74  ? 0.09196649 0.37679845 0.20227067 0.03920654  0.01745497  -0.00112657 186 ARG   A HE   
1301 H  HH11 . ARG   A 74  ? 0.11613671 0.38204944 0.20472562 0.04409428  0.01047411  -0.00234368 186 ARG   A HH11 
1302 H  HH12 . ARG   A 74  ? 0.11541080 0.38164967 0.20528537 0.04365134  0.01028482  -0.00265692 186 ARG   A HH12 
1303 H  HH21 . ARG   A 74  ? 0.10201415 0.36852598 0.20101044 0.04544328  0.01123573  -0.00015047 186 ARG   A HH21 
1304 H  HH22 . ARG   A 74  ? 0.10155082 0.36860979 0.20069870 0.04530387  0.01136521  -0.00006204 186 ARG   A HH22 
1305 N  N    A GLN   A 75  ? 0.08167291 0.39583158 0.19871743 -0.00542417 0.02845206  -0.01329504 187 GLN   A N    
1306 N  N    B GLN   A 75  ? 0.07136089 0.40236980 0.20370872 0.00135147  0.02643477  -0.01679966 187 GLN   A N    
1307 C  CA   A GLN   A 75  ? 0.11512782 0.40401310 0.20437911 -0.00634339 0.03002521  -0.00957341 187 GLN   A CA   
1308 C  CA   B GLN   A 75  ? 0.09474158 0.41305494 0.21010055 0.00510263  0.02299700  -0.01728655 187 GLN   A CA   
1309 C  C    A GLN   A 75  ? 0.12090367 0.40584266 0.20791455 -0.00100375 0.02650403  -0.01460958 187 GLN   A C    
1310 C  C    B GLN   A 75  ? 0.10748447 0.41290206 0.21266164 0.00555990  0.02056041  -0.01958579 187 GLN   A C    
1311 O  O    A GLN   A 75  ? 0.12022486 0.40482157 0.20809026 -0.00084558 0.02636757  -0.01462222 187 GLN   A O    
1312 O  O    B GLN   A 75  ? 0.10302044 0.41520339 0.21648711 0.00244661  0.01922806  -0.02402826 187 GLN   A O    
1313 C  CB   A GLN   A 75  ? 0.14148366 0.40388769 0.22219779 -0.00759120 0.02967951  -0.00348354 187 GLN   A CB   
1314 C  CB   B GLN   A 75  ? 0.09659068 0.42469674 0.22798544 0.00844132  0.02009747  -0.01928113 187 GLN   A CB   
1315 C  CG   A GLN   A 75  ? 0.16719250 0.40951473 0.23284721 -0.01053872 0.02003650  -0.00100135 187 GLN   A CG   
1316 C  CG   B GLN   A 75  ? 0.12734817 0.43686277 0.23981021 0.01361309  0.01558119  -0.01493870 187 GLN   A CG   
1317 C  CD   A GLN   A 75  ? 0.17352855 0.40850252 0.23947331 -0.01302194 0.02316665  0.00399689  187 GLN   A CD   
1318 C  CD   B GLN   A 75  ? 0.14708811 0.44037479 0.25337404 0.01984737  0.01186839  -0.01486259 187 GLN   A CD   
1319 O  OE1  A GLN   A 75  ? 0.19138300 0.40651399 0.24839516 -0.01151350 0.01584853  0.00188966  187 GLN   A OE1  
1320 O  OE1  B GLN   A 75  ? 0.14701581 0.44928628 0.25927991 0.03450082  0.00598059  -0.01979687 187 GLN   A OE1  
1321 N  NE2  A GLN   A 75  ? 0.18319269 0.41135871 0.24734326 -0.01615154 0.01871707  0.00332819  187 GLN   A NE2  
1322 N  NE2  B GLN   A 75  ? 0.15160099 0.44734204 0.25761658 0.02258576  0.01989709  -0.01299765 187 GLN   A NE2  
1323 H  H    A GLN   A 75  ? 0.08130513 0.39585006 0.19839263 -0.00325969 0.02993570  -0.01215545 187 GLN   A H    
1324 H  H    B GLN   A 75  ? 0.07179061 0.40162289 0.20265266 0.00298539  0.02736608  -0.01584907 187 GLN   A H    
1325 H  HA   A GLN   A 75  ? 0.11451921 0.40297836 0.20572519 -0.00561782 0.02989702  -0.01003581 187 GLN   A HA   
1326 H  HA   B GLN   A 75  ? 0.09368574 0.41238600 0.21146174 0.00548724  0.02287204  -0.01771314 187 GLN   A HA   
1327 H  HB2  A GLN   A 75  ? 0.14134273 0.40455562 0.22051665 -0.00773890 0.02890645  -0.00371753 187 GLN   A HB2  
1328 H  HB2  B GLN   A 75  ? 0.09978037 0.42460060 0.22649454 0.00864718  0.02026653  -0.01852301 187 GLN   A HB2  
1329 H  HB3  A GLN   A 75  ? 0.14161667 0.40387696 0.22017837 -0.00751073 0.02917188  -0.00389689 187 GLN   A HB3  
1330 H  HB3  B GLN   A 75  ? 0.09817342 0.42297238 0.22590619 0.00862195  0.02027077  -0.01841740 187 GLN   A HB3  
1331 H  HG2  A GLN   A 75  ? 0.16467364 0.40888447 0.23201415 -0.01101836 0.02241538  -0.00048239 187 GLN   A HG2  
1332 H  HG2  B GLN   A 75  ? 0.12669991 0.43569607 0.24007098 0.01404538  0.01618185  -0.01520278 187 GLN   A HG2  
1333 H  HG3  A GLN   A 75  ? 0.16439250 0.40867460 0.23200591 -0.01064622 0.02241634  -0.00039770 187 GLN   A HG3  
1334 H  HG3  B GLN   A 75  ? 0.12592185 0.43595499 0.24039458 0.01366801  0.01575597  -0.01486521 187 GLN   A HG3  
1335 H  HE21 A GLN   A 75  ? 0.18196307 0.41103810 0.24659370 -0.01575329 0.01951636  0.00409961  187 GLN   A HE21 
1336 H  HE21 B GLN   A 75  ? 0.15062158 0.44625103 0.25764495 0.02237424  0.01853434  -0.01292853 187 GLN   A HE21 
1337 H  HE22 A GLN   A 75  ? 0.18353453 0.41092139 0.24646558 -0.01555657 0.01920042  0.00371256  187 GLN   A HE22 
1338 H  HE22 B GLN   A 75  ? 0.15078740 0.44675291 0.25734854 0.02247993  0.01841221  -0.01327779 187 GLN   A HE22 
1339 N  N    . SER   A 76  ? 0.11571854 0.41194713 0.21590699 0.01057708  0.02172224  -0.01798076 188 SER   A N    
1340 C  CA   . SER   A 76  ? 0.11930984 0.40924233 0.23086540 0.01738120  0.01586888  -0.01618849 188 SER   A CA   
1341 C  C    . SER   A 76  ? 0.10964268 0.39895701 0.22877061 0.01428637  0.02205580  -0.01265053 188 SER   A C    
1342 O  O    . SER   A 76  ? 0.10081569 0.40303051 0.23222446 0.01139193  0.01755687  -0.00888846 188 SER   A O    
1343 C  CB   . SER   A 76  ? 0.11968721 0.42141968 0.24539034 0.02629757  0.00772113  -0.01855133 188 SER   A CB   
1344 O  OG   . SER   A 76  ? 0.17143410 0.44167739 0.25856572 0.02547781  -0.00942680 -0.01285563 188 SER   A OG   
1345 H  H    . SER   A 76  ? 0.11647809 0.41099179 0.21592897 0.00965862  0.02146272  -0.01748366 188 SER   A H    
1346 H  HA   . SER   A 76  ? 0.11749443 0.40966392 0.23009311 0.01748333  0.01668001  -0.01657931 188 SER   A HA   
1347 H  HB2  . SER   A 76  ? 0.12785178 0.42264831 0.24570982 0.02465861  0.00684047  -0.01674690 188 SER   A HB2  
1348 H  HB3  . SER   A 76  ? 0.12799537 0.42199147 0.24515261 0.02487645  0.00644383  -0.01732377 188 SER   A HB3  
1349 H  HG   . SER   A 76  ? 0.34079379 0.34079379 0.34079379 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1350 N  N    . VAL   A 77  ? 0.08787806 0.38984936 0.22068866 0.01650915  0.03559654  -0.01364888 189 VAL   A N    
1351 C  CA   . VAL   A 77  ? 0.10004407 0.38455302 0.22050184 0.01865693  0.03329985  -0.01044818 189 VAL   A CA   
1352 C  C    . VAL   A 77  ? 0.09911766 0.36635137 0.20635249 0.01869853  0.03081759  -0.01364598 189 VAL   A C    
1353 O  O    . VAL   A 77  ? 0.09910351 0.37060505 0.20749669 0.01742457  0.02967861  -0.01571019 189 VAL   A O    
1354 C  CB   . VAL   A 77  ? 0.12514214 0.39394283 0.24190331 0.01190300  0.03559808  -0.00018473 189 VAL   A CB   
1355 C  CG1  . VAL   A 77  ? 0.13822071 0.40012175 0.24619900 0.01832569  0.03362400  0.00284328  189 VAL   A CG1  
1356 C  CG2  . VAL   A 77  ? 0.13527711 0.40091026 0.24754335 0.00568029  0.04093507  0.00772274  189 VAL   A CG2  
1357 H  H    . VAL   A 77  ? 0.09407573 0.39042139 0.22229473 0.01555379  0.03264476  -0.01318686 189 VAL   A H    
1358 H  HA   . VAL   A 77  ? 0.10116534 0.38322216 0.22068177 0.01796767  0.03320675  -0.01020829 189 VAL   A HA   
1359 H  HB   . VAL   A 77  ? 0.12447578 0.39454609 0.24020080 0.01259153  0.03574475  0.00009468  189 VAL   A HB   
1360 H  HG11 . VAL   A 77  ? 0.13630898 0.39914238 0.24595161 0.01724113  0.03413671  0.00272818  189 VAL   A HG11 
1361 H  HG12 . VAL   A 77  ? 0.13784176 0.39874321 0.24584810 0.01721250  0.03360623  0.00234819  189 VAL   A HG12 
1362 H  HG13 . VAL   A 77  ? 0.13631357 0.39930212 0.24565284 0.01726416  0.03406576  0.00227903  189 VAL   A HG13 
1363 H  HG21 . VAL   A 77  ? 0.13389474 0.39961511 0.24674104 0.00672586  0.04032414  0.00662841  189 VAL   A HG21 
1364 H  HG22 . VAL   A 77  ? 0.13470271 0.39946580 0.24691822 0.00650075  0.04081038  0.00639854  189 VAL   A HG22 
1365 H  HG23 . VAL   A 77  ? 0.13389075 0.39977032 0.24727042 0.00672876  0.04034778  0.00716774  189 VAL   A HG23 
1366 N  N    . PHE   A 78  ? 0.08167623 0.35469729 0.19361167 0.02867027  0.02555029  -0.01040054 190 PHE   A N    
1367 C  CA   . PHE   A 78  ? 0.06444062 0.33887070 0.19184637 0.03566664  0.01445411  -0.01368979 190 PHE   A CA   
1368 C  C    . PHE   A 78  ? 0.07880954 0.33731210 0.19792183 0.04605923  0.00283064  -0.01300928 190 PHE   A C    
1369 O  O    . PHE   A 78  ? 0.10705034 0.34850842 0.20786503 0.05263339  -0.00452815 -0.02094097 190 PHE   A O    
1370 C  CB   . PHE   A 78  ? 0.06723924 0.33290356 0.18904588 0.03397715  0.01195937  -0.01455358 190 PHE   A CB   
1371 C  CG   . PHE   A 78  ? 0.05990898 0.32314152 0.18995127 0.03408964  0.00878762  -0.01661705 190 PHE   A CG   
1372 C  CD1  . PHE   A 78  ? 0.05617677 0.31749576 0.19122335 0.03906385  0.00590389  -0.01465007 190 PHE   A CD1  
1373 C  CD2  . PHE   A 78  ? 0.06151684 0.31720054 0.18946452 0.03387521  0.00945714  -0.01858276 190 PHE   A CD2  
1374 C  CE1  . PHE   A 78  ? 0.05324899 0.31824446 0.19469497 0.03922581  0.00789205  -0.01638981 190 PHE   A CE1  
1375 C  CE2  . PHE   A 78  ? 0.05414744 0.31632036 0.19196232 0.03408019  0.00861842  -0.02077774 190 PHE   A CE2  
1376 C  CZ   . PHE   A 78  ? 0.05158741 0.31688100 0.19572864 0.03724139  0.00327662  -0.01897726 190 PHE   A CZ   
1377 H  H    . PHE   A 78  ? 0.08159877 0.35371840 0.19457275 0.02817965  0.02461064  -0.01152734 190 PHE   A H    
1378 H  HA   . PHE   A 78  ? 0.06954673 0.33971590 0.19220829 0.03597656  0.01431299  -0.01360572 190 PHE   A HA   
1379 H  HB2  . PHE   A 78  ? 0.06709615 0.33185834 0.18958542 0.03428518  0.01187881  -0.01465720 190 PHE   A HB2  
1380 H  HB3  . PHE   A 78  ? 0.06630865 0.33193600 0.18960029 0.03441109  0.01164560  -0.01460820 190 PHE   A HB3  
1381 H  HD1  . PHE   A 78  ? 0.05620602 0.31824929 0.19131763 0.03822406  0.00657644  -0.01535245 190 PHE   A HD1  
1382 H  HD2  . PHE   A 78  ? 0.06099901 0.31773102 0.18992080 0.03414738  0.00929632  -0.01853417 190 PHE   A HD2  
1383 H  HE1  . PHE   A 78  ? 0.05461764 0.31790137 0.19416705 0.03873713  0.00686647  -0.01640958 190 PHE   A HE1  
1384 H  HE2  . PHE   A 78  ? 0.05540149 0.31634218 0.19205123 0.03442239  0.00791450  -0.02015932 190 PHE   A HE2  
1385 H  HZ   . PHE   A 78  ? 0.05307302 0.31697905 0.19538456 0.03728665  0.00438417  -0.01902009 190 PHE   A HZ   
1386 N  N    . PRO   A 79  ? 0.07443035 0.33874661 0.20013301 0.04760504  0.00624852  -0.00810914 191 PRO   A N    
1387 C  CA   . PRO   A 79  ? 0.08786229 0.34380120 0.20455009 0.03953701  -0.00488862 -0.00597859 191 PRO   A CA   
1388 C  C    . PRO   A 79  ? 0.08517940 0.34787410 0.20467366 0.03589565  -0.01295318 -0.00532250 191 PRO   A C    
1389 O  O    . PRO   A 79  ? 0.10677483 0.37340707 0.22029516 0.02954070  -0.02836116 0.01139079  191 PRO   A O    
1390 C  CB   . PRO   A 79  ? 0.08630091 0.34065735 0.20802601 0.04605280  0.00043268  -0.00409565 191 PRO   A CB   
1391 C  CG   . PRO   A 79  ? 0.07414852 0.33484668 0.21023120 0.04810365  0.00312219  -0.00796771 191 PRO   A CG   
1392 C  CD   . PRO   A 79  ? 0.06681412 0.33658898 0.20871116 0.04687928  0.00715171  -0.00768368 191 PRO   A CD   
1393 H  HA   . PRO   A 79  ? 0.08555516 0.34309620 0.20494817 0.04103703  -0.00403397 -0.00581214 191 PRO   A HA   
1394 H  HB2  . PRO   A 79  ? 0.08653221 0.34038520 0.20767182 0.04576040  -0.00011752 -0.00458607 191 PRO   A HB2  
1395 H  HB3  . PRO   A 79  ? 0.08552102 0.34032094 0.20772070 0.04569796  0.00010081  -0.00469839 191 PRO   A HB3  
1396 H  HG2  . PRO   A 79  ? 0.07525396 0.33522367 0.20943266 0.04713411  0.00327608  -0.00729736 191 PRO   A HG2  
1397 H  HG3  . PRO   A 79  ? 0.07533268 0.33524442 0.20969266 0.04748958  0.00322968  -0.00730615 191 PRO   A HG3  
1398 H  HD2  . PRO   A 79  ? 0.06911402 0.33654225 0.20802340 0.04698975  0.00676503  -0.00796337 191 PRO   A HD2  
1399 H  HD3  . PRO   A 79  ? 0.06808763 0.33630860 0.20764726 0.04634607  0.00696314  -0.00777532 191 PRO   A HD3  
1400 N  N    . PHE   A 80  ? 0.06224178 0.34035343 0.19801994 0.03332987  -0.02011203 -0.01112291 192 PHE   A N    
1401 C  CA   . PHE   A 80  ? 0.06021003 0.33371705 0.19477654 0.03180312  -0.02087679 -0.01725895 192 PHE   A CA   
1402 C  C    . PHE   A 80  ? 0.06781178 0.33924884 0.20568565 0.03517940  -0.02311016 -0.02207779 192 PHE   A C    
1403 O  O    . PHE   A 80  ? 0.06760047 0.34512711 0.22447066 0.03838665  -0.02573506 -0.02966319 192 PHE   A O    
1404 C  CB   . PHE   A 80  ? 0.05172902 0.32406127 0.19173215 0.02876567  -0.01588263 -0.01704129 192 PHE   A CB   
1405 C  CG   . PHE   A 80  ? 0.04387059 0.31882161 0.17856474 0.02086769  -0.01484352 -0.01535263 192 PHE   A CG   
1406 C  CD1  . PHE   A 80  ? 0.03885127 0.31685358 0.17832488 0.01685102  -0.00687808 -0.01442865 192 PHE   A CD1  
1407 C  CD2  . PHE   A 80  ? 0.03630000 0.31797886 0.17615804 0.02519506  -0.01197457 -0.01427881 192 PHE   A CD2  
1408 C  CE1  . PHE   A 80  ? 0.03942781 0.31403005 0.17423810 0.01537769  -0.00632925 -0.01204106 192 PHE   A CE1  
1409 C  CE2  . PHE   A 80  ? 0.04425666 0.31532305 0.17175108 0.01839019  -0.01172313 -0.01256262 192 PHE   A CE2  
1410 C  CZ   . PHE   A 80  ? 0.04442020 0.31203336 0.17053665 0.01692928  -0.01166284 -0.01085005 192 PHE   A CZ   
1411 H  H    . PHE   A 80  ? 0.06445644 0.34004796 0.19709365 0.03409797  -0.02055458 -0.01089990 192 PHE   A H    
1412 H  HA   . PHE   A 80  ? 0.06070481 0.33393872 0.19657065 0.03221022  -0.02079103 -0.01693618 192 PHE   A HA   
1413 H  HB2  . PHE   A 80  ? 0.05217420 0.32407933 0.18939260 0.02803539  -0.01639675 -0.01673428 192 PHE   A HB2  
1414 H  HB3  . PHE   A 80  ? 0.05243289 0.32419395 0.18941146 0.02792087  -0.01643868 -0.01675494 192 PHE   A HB3  
1415 H  HD1  . PHE   A 80  ? 0.04007456 0.31654781 0.17773823 0.01710661  -0.00813979 -0.01428051 192 PHE   A HD1  
1416 H  HD2  . PHE   A 80  ? 0.03737545 0.31669009 0.17593728 0.02482154  -0.01229281 -0.01421312 192 PHE   A HD2  
1417 H  HE1  . PHE   A 80  ? 0.04059919 0.31371433 0.17419815 0.01593562  -0.00734632 -0.01224256 192 PHE   A HE1  
1418 H  HE2  . PHE   A 80  ? 0.04372386 0.31507450 0.17213580 0.01915899  -0.01168451 -0.01256677 192 PHE   A HE2  
1419 H  HZ   . PHE   A 80  ? 0.04377553 0.31246996 0.17125772 0.01699403  -0.01082301 -0.01128449 192 PHE   A HZ   
1420 N  N    . GLU   A 81  ? 0.06642536 0.34831196 0.21744607 0.03684527  -0.02228856 -0.02871659 193 GLU   A N    
1421 C  CA   . GLU   A 81  ? 0.08373681 0.35220879 0.22646356 0.03532153  -0.01920864 -0.03245728 193 GLU   A CA   
1422 C  C    . GLU   A 81  ? 0.09034291 0.34488624 0.22055946 0.03356197  -0.02122498 -0.03398326 193 GLU   A C    
1423 O  O    . GLU   A 81  ? 0.08445368 0.35033536 0.21660019 0.03826517  -0.03253569 -0.04192797 193 GLU   A O    
1424 C  CB   . GLU   A 81  ? 0.09964804 0.36313498 0.22922264 0.03368617  -0.01142091 -0.03400850 193 GLU   A CB   
1425 C  CG   . GLU   A 81  ? 0.10602015 0.37571716 0.24413274 0.03204227  -0.00557262 -0.03244593 193 GLU   A CG   
1426 C  CD   . GLU   A 81  ? 0.11173784 0.38722277 0.26348418 0.03685622  0.00207242  -0.02974516 193 GLU   A CD   
1427 O  OE1  . GLU   A 81  ? 0.14257677 0.39217126 0.26709336 0.04307050  -0.00035844 -0.03309699 193 GLU   A OE1  
1428 O  OE2  . GLU   A 81  ? 0.12306367 0.41254824 0.28585374 0.03036791  0.02044871  -0.01809309 193 GLU   A OE2  
1429 H  H    . GLU   A 81  ? 0.06890308 0.34631777 0.21628097 0.03711981  -0.02184025 -0.02802902 193 GLU   A H    
1430 H  HA   . GLU   A 81  ? 0.08424722 0.35159433 0.22425817 0.03521206  -0.01899906 -0.03223125 193 GLU   A HA   
1431 H  HB2  . GLU   A 81  ? 0.09825011 0.36259359 0.23036888 0.03285250  -0.01144280 -0.03348472 193 GLU   A HB2  
1432 H  HB3  . GLU   A 81  ? 0.09828286 0.36279547 0.23101352 0.03352538  -0.01163690 -0.03353544 193 GLU   A HB3  
1433 H  HG2  . GLU   A 81  ? 0.10553632 0.37455511 0.24384303 0.03353488  -0.00565117 -0.03224326 193 GLU   A HG2  
1434 H  HG3  . GLU   A 81  ? 0.10589410 0.37479162 0.24416427 0.03348939  -0.00550208 -0.03232494 193 GLU   A HG3  
1435 N  N    A SER   A 82  ? 0.11229610 0.34673345 0.22272365 0.03039583  -0.02155538 -0.03148504 194 SER   A N    
1436 N  N    B SER   A 82  ? 0.11496694 0.34649241 0.22234125 0.02802369  -0.01658804 -0.03296993 194 SER   A N    
1437 C  CA   A SER   A 82  ? 0.12762657 0.34679669 0.21884088 0.02661513  -0.01386104 -0.02819568 194 SER   A CA   
1438 C  CA   B SER   A 82  ? 0.13255422 0.34757018 0.21855873 0.02296908  -0.00630587 -0.03189244 194 SER   A CA   
1439 C  C    A SER   A 82  ? 0.12257043 0.34065044 0.20748229 0.01941326  -0.00720655 -0.02812766 194 SER   A C    
1440 C  C    B SER   A 82  ? 0.12823151 0.34258068 0.20835818 0.01824724  -0.00174507 -0.03092338 194 SER   A C    
1441 O  O    A SER   A 82  ? 0.13852784 0.34176719 0.20601681 0.01595929  -0.00912939 -0.02792827 194 SER   A O    
1442 O  O    B SER   A 82  ? 0.15074830 0.35070658 0.20833968 0.01415012  -0.00337059 -0.03444231 194 SER   A O    
1443 C  CB   A SER   A 82  ? 0.14528966 0.35094887 0.22952636 0.02993880  -0.01478011 -0.02494492 194 SER   A CB   
1444 C  CB   B SER   A 82  ? 0.15342420 0.35046911 0.22865789 0.02300419  -0.00120291 -0.02841842 194 SER   A CB   
1445 O  OG   A SER   A 82  ? 0.15179724 0.35728687 0.23897037 0.03168672  -0.02519470 -0.02283313 194 SER   A OG   
1446 O  OG   B SER   A 82  ? 0.17045607 0.35413563 0.23921604 0.02129449  0.00815031  -0.03205604 194 SER   A OG   
1447 H  H    A SER   A 82  ? 0.11204734 0.34646648 0.22190776 0.03030527  -0.02031547 -0.03127309 194 SER   A H    
1448 H  H    B SER   A 82  ? 0.11453639 0.34648967 0.22158507 0.02797286  -0.01587536 -0.03274990 194 SER   A H    
1449 H  HA   A SER   A 82  ? 0.12636395 0.34626538 0.21882205 0.02619670  -0.01355934 -0.02817684 194 SER   A HA   
1450 H  HA   B SER   A 82  ? 0.13126756 0.34683430 0.21853866 0.02273260  -0.00595587 -0.03153051 194 SER   A HA   
1451 H  HB2  A SER   A 82  ? 0.14430127 0.35109353 0.22892018 0.03009922  -0.01594239 -0.02499566 194 SER   A HB2  
1452 H  HB2  B SER   A 82  ? 0.15382519 0.35050946 0.22849353 0.02293507  -0.00031998 -0.02934992 194 SER   A HB2  
1453 H  HB3  A SER   A 82  ? 0.14473170 0.35119617 0.22906296 0.03013993  -0.01612641 -0.02491766 194 SER   A HB3  
1454 H  HB3  B SER   A 82  ? 0.15355387 0.35056370 0.22828737 0.02280878  -0.00056107 -0.02938062 194 SER   A HB3  
1455 H  HG   A SER   A 82  ? 0.29060179 0.29060179 0.29060179 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1456 H  HG   B SER   A 82  ? 0.29793492 0.29793492 0.29793492 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1457 N  N    . GLY   A 83  ? 0.10944197 0.33407187 0.19098805 0.01030688  -0.01342250 -0.02575367 195 GLY   A N    
1458 C  CA   . GLY   A 83  ? 0.09723072 0.32825458 0.18609540 0.00354780  -0.00665095 -0.02281946 195 GLY   A CA   
1459 C  C    . GLY   A 83  ? 0.06622484 0.32624710 0.18206957 -0.00935391 -0.00877598 -0.01841642 195 GLY   A C    
1460 O  O    . GLY   A 83  ? 0.05999846 0.34349692 0.20952204 -0.02006639 -0.01301081 -0.01028419 195 GLY   A O    
1461 H  H    . GLY   A 83  ? 0.11250146 0.33481169 0.19303048 0.01196139  -0.00940052 -0.02699600 195 GLY   A H    
1462 H  HA2  . GLY   A 83  ? 0.09430722 0.32862246 0.18578242 0.00256214  -0.00853171 -0.02273448 195 GLY   A HA2  
1463 H  HA3  . GLY   A 83  ? 0.09426919 0.32862443 0.18581319 0.00277045  -0.00837178 -0.02278630 195 GLY   A HA3  
1464 N  N    . LYS   A 84  ? 0.05095555 0.31852823 0.17734252 -0.00186534 -0.00144632 -0.01883832 196 LYS   A N    
1465 C  CA   . LYS   A 84  ? 0.04004228 0.31352627 0.17236225 -0.00959176 0.00408647  -0.02035132 196 LYS   A CA   
1466 C  C    . LYS   A 84  ? 0.04777438 0.30999255 0.16647035 -0.01388689 0.00773700  -0.01991694 196 LYS   A C    
1467 O  O    . LYS   A 84  ? 0.06358730 0.30905682 0.16706809 -0.00930019 0.00379867  -0.02183436 196 LYS   A O    
1468 C  CB   . LYS   A 84  ? 0.03949778 0.31537968 0.17083798 -0.00742656 0.00359256  -0.01693542 196 LYS   A CB   
1469 C  CG   . LYS   A 84  ? 0.03821039 0.31805474 0.17174792 0.00015336  -0.00012060 -0.01885518 196 LYS   A CG   
1470 C  CD   . LYS   A 84  ? 0.04442469 0.32378376 0.16507642 0.00262870  -0.00035115 -0.01854589 196 LYS   A CD   
1471 C  CE   . LYS   A 84  ? 0.04380793 0.32732135 0.16643515 0.00581648  0.00130606  -0.01919652 196 LYS   A CE   
1472 N  NZ   . LYS   A 84  ? 0.04800767 0.32693255 0.16227733 0.00927212  0.00121411  -0.01828559 196 LYS   A NZ   
1473 H  H    . LYS   A 84  ? 0.05182334 0.31873029 0.17744219 -0.00418784 -0.00223615 -0.01919002 196 LYS   A H    
1474 H  HA   . LYS   A 84  ? 0.04262023 0.31380379 0.17156194 -0.00915940 0.00308415  -0.01973801 196 LYS   A HA   
1475 H  HB2  . LYS   A 84  ? 0.03986622 0.31507516 0.17108402 -0.00667804 0.00329124  -0.01775987 196 LYS   A HB2  
1476 H  HB3  . LYS   A 84  ? 0.03978328 0.31494373 0.17110485 -0.00667648 0.00321429  -0.01772098 196 LYS   A HB3  
1477 H  HG2  . LYS   A 84  ? 0.03917155 0.31814218 0.17040025 -0.00088939 0.00016406  -0.01857805 196 LYS   A HG2  
1478 H  HG3  . LYS   A 84  ? 0.03951596 0.31810993 0.17049214 -0.00057514 0.00043140  -0.01840029 196 LYS   A HG3  
1479 H  HD2  . LYS   A 84  ? 0.04380082 0.32332474 0.16646056 0.00290702  -0.00016425 -0.01872598 196 LYS   A HD2  
1480 H  HD3  . LYS   A 84  ? 0.04360693 0.32324976 0.16619563 0.00291085  -0.00012683 -0.01862156 196 LYS   A HD3  
1481 H  HE2  . LYS   A 84  ? 0.04507042 0.32651287 0.16544658 0.00576622  0.00113181  -0.01898830 196 LYS   A HE2  
1482 H  HE3  . LYS   A 84  ? 0.04527467 0.32667160 0.16561131 0.00586242  0.00116852  -0.01902777 196 LYS   A HE3  
1483 H  HZ1  . LYS   A 84  ? 0.04738326 0.32667440 0.16289870 0.00875749  0.00109048  -0.01835880 196 LYS   A HZ1  
1484 H  HZ2  . LYS   A 84  ? 0.04771857 0.32691044 0.16304921 0.00891923  0.00128052  -0.01834586 196 LYS   A HZ2  
1485 H  HZ3  . LYS   A 84  ? 0.04742229 0.32666689 0.16297983 0.00873188  0.00121005  -0.01846457 196 LYS   A HZ3  
1486 N  N    . PRO   A 85  ? 0.03649058 0.30935413 0.16799386 -0.01879573 0.00711609  -0.02070671 197 PRO   A N    
1487 C  CA   . PRO   A 85  ? 0.03756792 0.30825710 0.17083532 -0.01900546 0.00320309  -0.02087871 197 PRO   A CA   
1488 C  C    . PRO   A 85  ? 0.02708739 0.30494273 0.16401786 -0.01167200 0.00665948  -0.02101539 197 PRO   A C    
1489 O  O    . PRO   A 85  ? 0.01991647 0.31252116 0.16762425 -0.01173475 0.00791841  -0.01919537 197 PRO   A O    
1490 C  CB   . PRO   A 85  ? 0.04882928 0.30974990 0.18046822 -0.01591373 -0.00311558 -0.01941878 197 PRO   A CB   
1491 C  CG   . PRO   A 85  ? 0.05641313 0.31524628 0.18115938 -0.01684474 -0.00003004 -0.01837020 197 PRO   A CG   
1492 C  CD   . PRO   A 85  ? 0.04317825 0.31314903 0.17358722 -0.01685635 -0.00054614 -0.02076600 197 PRO   A CD   
1493 H  HA   . PRO   A 85  ? 0.03800216 0.30813020 0.17069566 -0.01719555 0.00370448  -0.02080591 197 PRO   A HA   
1494 H  HB2  . PRO   A 85  ? 0.04855434 0.30986309 0.17906030 -0.01646432 -0.00173082 -0.01946441 197 PRO   A HB2  
1495 H  HB3  . PRO   A 85  ? 0.04994840 0.31001091 0.17917256 -0.01637362 -0.00205170 -0.01950236 197 PRO   A HB3  
1496 H  HG2  . PRO   A 85  ? 0.05436926 0.31411737 0.18005162 -0.01618223 -0.00060926 -0.01888780 197 PRO   A HG2  
1497 H  HG3  . PRO   A 85  ? 0.05594842 0.31397790 0.18033780 -0.01629121 0.00016661  -0.01869134 197 PRO   A HG3  
1498 H  HD2  . PRO   A 85  ? 0.04450038 0.31282878 0.17377540 -0.01710452 0.00063113  -0.02034104 197 PRO   A HD2  
1499 H  HD3  . PRO   A 85  ? 0.04431157 0.31272227 0.17368020 -0.01713356 0.00085342  -0.02039147 197 PRO   A HD3  
1500 N  N    . PHE   A 86  ? 0.02416926 0.30033278 0.16065012 -0.01356920 0.00543341  -0.01972965 198 PHE   A N    
1501 C  CA   . PHE   A 86  ? 0.03262815 0.29629761 0.16210717 -0.01626007 0.00139482  -0.02121143 198 PHE   A CA   
1502 C  C    . PHE   A 86  ? 0.01448231 0.29726279 0.15936185 -0.01104204 0.00537656  -0.01617858 198 PHE   A C    
1503 O  O    . PHE   A 86  ? 0.00645621 0.29514694 0.16326204 -0.00361414 -0.00329906 -0.01583701 198 PHE   A O    
1504 C  CB   . PHE   A 86  ? 0.05361758 0.29530102 0.16575123 -0.01600484 -0.00496236 -0.01886968 198 PHE   A CB   
1505 C  CG   . PHE   A 86  ? 0.06795556 0.29787499 0.16637442 -0.02418187 -0.00496420 -0.02066294 198 PHE   A CG   
1506 C  CD1  . PHE   A 86  ? 0.06895541 0.29382414 0.16769703 -0.02815485 -0.00768182 -0.01959706 198 PHE   A CD1  
1507 C  CD2  . PHE   A 86  ? 0.10130128 0.29855716 0.17604227 -0.02901878 -0.00425153 -0.02042467 198 PHE   A CD2  
1508 C  CE1  . PHE   A 86  ? 0.07976785 0.30039197 0.17161067 -0.02717826 -0.00311173 -0.01911261 198 PHE   A CE1  
1509 C  CE2  . PHE   A 86  ? 0.10612126 0.30572480 0.18148939 -0.03240198 -0.00026534 -0.01673110 198 PHE   A CE2  
1510 C  CZ   . PHE   A 86  ? 0.09964208 0.30374068 0.17737067 -0.02928511 0.00082171  -0.01690216 198 PHE   A CZ   
1511 H  H    . PHE   A 86  ? 0.02620328 0.30046672 0.16034962 -0.01379979 0.00587962  -0.02013203 198 PHE   A H    
1512 H  HA   . PHE   A 86  ? 0.03150865 0.29685658 0.16202958 -0.01485678 0.00144650  -0.02007558 198 PHE   A HA   
1513 H  HB2  . PHE   A 86  ? 0.05409041 0.29581517 0.16489743 -0.01690267 -0.00377488 -0.01961565 198 PHE   A HB2  
1514 H  HB3  . PHE   A 86  ? 0.05316693 0.29548734 0.16489425 -0.01729492 -0.00376933 -0.01962588 198 PHE   A HB3  
1515 H  HD1  . PHE   A 86  ? 0.06980996 0.29480827 0.16790015 -0.02737077 -0.00610113 -0.01920515 198 PHE   A HD1  
1516 H  HD2  . PHE   A 86  ? 0.09576534 0.29903138 0.17498934 -0.02833134 -0.00339261 -0.02006126 198 PHE   A HD2  
1517 H  HE1  . PHE   A 86  ? 0.08123509 0.29964048 0.17178814 -0.02745951 -0.00312506 -0.01876179 198 PHE   A HE1  
1518 H  HE2  . PHE   A 86  ? 0.10432766 0.30416322 0.17964819 -0.03123702 -0.00079145 -0.01741467 198 PHE   A HE2  
1519 H  HZ   . PHE   A 86  ? 0.09666069 0.30335039 0.17695026 -0.02932847 -0.00004697 -0.01710329 198 PHE   A HZ   
1520 N  N    . LYS   A 87  ? 0.00713196 0.30072379 0.16135450 -0.01164698 0.00198216  -0.01228677 199 LYS   A N    
1521 C  CA   . LYS   A 87  ? 0.00709171 0.30510026 0.16672467 -0.01500047 -0.00030253 -0.01340280 199 LYS   A CA   
1522 C  C    . LYS   A 87  ? 0.00718826 0.30691385 0.16359852 -0.01155022 0.00850348  -0.01219188 199 LYS   A C    
1523 O  O    . LYS   A 87  ? 0.00917339 0.32319266 0.16449809 -0.01057748 0.02044084  -0.02065505 199 LYS   A O    
1524 C  CB   . LYS   A 87  ? 0.01664669 0.31055135 0.17427520 -0.00977737 -0.00347390 -0.00945096 199 LYS   A CB   
1525 C  CG   . LYS   A 87  ? 0.04329610 0.31586468 0.18444096 -0.00078776 -0.00280423 -0.01023135 199 LYS   A CG   
1526 C  CD   . LYS   A 87  ? 0.07096536 0.32208902 0.19467357 0.00812345  -0.00899173 -0.00785304 199 LYS   A CD   
1527 C  CE   . LYS   A 87  ? 0.09564476 0.33164132 0.19539787 0.01354045  -0.00483620 -0.00422441 199 LYS   A CE   
1528 N  NZ   . LYS   A 87  ? 0.12304330 0.34148836 0.21175051 0.02092270  -0.00337672 0.00376356  199 LYS   A NZ   
1529 H  H    . LYS   A 87  ? 0.00785010 0.30060512 0.16142504 -0.01223977 0.00237167  -0.01318773 199 LYS   A H    
1530 H  HA   . LYS   A 87  ? 0.00692687 0.30500448 0.16658631 -0.01330417 0.00107213  -0.01261989 199 LYS   A HA   
1531 H  HB2  . LYS   A 87  ? 0.01686650 0.31019932 0.17403984 -0.00955976 -0.00336167 -0.01024251 199 LYS   A HB2  
1532 H  HB3  . LYS   A 87  ? 0.01751405 0.31028819 0.17426120 -0.00923791 -0.00310252 -0.01011921 199 LYS   A HB3  
1533 H  HG2  . LYS   A 87  ? 0.04374044 0.31557190 0.18378966 -0.00077781 -0.00359657 -0.00959054 199 LYS   A HG2  
1534 H  HG3  . LYS   A 87  ? 0.04274734 0.31554949 0.18385409 -0.00085956 -0.00343004 -0.00961694 199 LYS   A HG3  
1535 H  HD2  . LYS   A 87  ? 0.06942950 0.32215130 0.19273886 0.00753575  -0.00708636 -0.00762416 199 LYS   A HD2  
1536 H  HD3  . LYS   A 87  ? 0.07001828 0.32206118 0.19270416 0.00763545  -0.00712122 -0.00768933 199 LYS   A HD3  
1537 H  HE2  . LYS   A 87  ? 0.09426006 0.33084524 0.19715904 0.01384289  -0.00524512 -0.00361937 199 LYS   A HE2  
1538 H  HE3  . LYS   A 87  ? 0.09551677 0.33110738 0.19751380 0.01396888  -0.00548241 -0.00364455 199 LYS   A HE3  
1539 H  HZ1  . LYS   A 87  ? 0.12050326 0.33993500 0.20850734 0.02110254  -0.00263211 0.00326417  199 LYS   A HZ1  
1540 H  HZ2  . LYS   A 87  ? 0.11803762 0.34027255 0.20822671 0.01980251  -0.00366942 0.00318155  199 LYS   A HZ2  
1541 H  HZ3  . LYS   A 87  ? 0.11948341 0.33955956 0.20942508 0.02013452  -0.00471674 0.00256668  199 LYS   A HZ3  
1542 N  N    . ILE   A 88  ? 0.00682550 0.30531836 0.16305925 -0.01160895 0.00312248  -0.01438107 200 ILE   A N    
1543 C  CA   . ILE   A 88  ? 0.00661906 0.30518860 0.15817699 -0.00918246 0.00120043  -0.01279877 200 ILE   A CA   
1544 C  C    . ILE   A 88  ? 0.00641133 0.30603337 0.16238089 -0.00469969 -0.00063940 -0.01551246 200 ILE   A C    
1545 O  O    . ILE   A 88  ? 0.00664228 0.31762922 0.17494258 0.00851184  0.00316873  -0.01552458 200 ILE   A O    
1546 C  CB   . ILE   A 88  ? 0.00664805 0.30503041 0.16074526 -0.00799050 0.00420810  -0.00932540 200 ILE   A CB   
1547 C  CG1  . ILE   A 88  ? 0.00703386 0.30267406 0.16457804 -0.00965506 0.00804996  -0.00711503 200 ILE   A CG1  
1548 C  CG2  . ILE   A 88  ? 0.00648050 0.30525869 0.16323848 -0.00652528 -0.00070695 -0.00989888 200 ILE   A CG2  
1549 C  CD1  . ILE   A 88  ? 0.01148985 0.30265248 0.16861610 -0.00587554 0.00785869  -0.00502738 200 ILE   A CD1  
1550 H  H    . ILE   A 88  ? 0.00693917 0.30526215 0.16097409 -0.01188436 0.00507329  -0.01329518 200 ILE   A H    
1551 H  HA   . ILE   A 88  ? 0.00661976 0.30511576 0.15817168 -0.00832933 0.00325226  -0.01325050 200 ILE   A HA   
1552 H  HB   . ILE   A 88  ? 0.00664509 0.30459321 0.16011606 -0.00807057 0.00406142  -0.00965442 200 ILE   A HB   
1553 H  HG12 . ILE   A 88  ? 0.00704749 0.30276990 0.16378900 -0.00854473 0.00879633  -0.00734552 200 ILE   A HG12 
1554 H  HG13 . ILE   A 88  ? 0.00694662 0.30271482 0.16414768 -0.00911685 0.00747827  -0.00737893 200 ILE   A HG13 
1555 H  HG21 . ILE   A 88  ? 0.00648700 0.30486232 0.16269967 -0.00678774 0.00031354  -0.00978085 200 ILE   A HG21 
1556 H  HG22 . ILE   A 88  ? 0.00649037 0.30486155 0.16269054 -0.00683391 -0.00022958 -0.00973804 200 ILE   A HG22 
1557 H  HG23 . ILE   A 88  ? 0.00648681 0.30489451 0.16261089 -0.00678507 0.00023196  -0.00976653 200 ILE   A HG23 
1558 H  HD11 . ILE   A 88  ? 0.01213448 0.30232823 0.16749847 -0.00644565 0.00829973  -0.00520873 200 ILE   A HD11 
1559 H  HD12 . ILE   A 88  ? 0.00993781 0.30235177 0.16761002 -0.00652738 0.00812468  -0.00517015 200 ILE   A HD12 
1560 H  HD13 . ILE   A 88  ? 0.01066773 0.30244499 0.16789602 -0.00628421 0.00848352  -0.00502729 200 ILE   A HD13 
1561 N  N    . GLN   A 89  ? 0.00646116 0.30355239 0.16529240 -0.00549206 -0.00176139 -0.01659139 201 GLN   A N    
1562 C  CA   . GLN   A 89  ? 0.00665927 0.30623591 0.17276675 -0.00567843 -0.00567455 -0.01819887 201 GLN   A CA   
1563 C  C    . GLN   A 89  ? 0.00652269 0.30346656 0.16612040 -0.00737256 0.00160887  -0.02201651 201 GLN   A C    
1564 O  O    . GLN   A 89  ? 0.00658772 0.31323123 0.17839883 -0.00786182 0.00363972  -0.02406684 201 GLN   A O    
1565 C  CB   . GLN   A 89  ? 0.02148196 0.31187099 0.18485445 -0.00360119 -0.01077563 -0.01295143 201 GLN   A CB   
1566 C  CG   . GLN   A 89  ? 0.03121248 0.32351607 0.20164208 0.00041167  -0.02463440 -0.01334632 201 GLN   A CG   
1567 C  CD   . GLN   A 89  ? 0.08153754 0.33564401 0.21620908 0.00680596  -0.02713177 -0.00740473 201 GLN   A CD   
1568 O  OE1  . GLN   A 89  ? 0.11406431 0.34631622 0.21800937 0.00628319  -0.01280495 -0.00675431 201 GLN   A OE1  
1569 N  NE2  . GLN   A 89  ? 0.10255326 0.34363657 0.24090900 0.01921371  -0.03212105 -0.00540332 201 GLN   A NE2  
1570 H  H    . GLN   A 89  ? 0.00646163 0.30421579 0.16556835 -0.00545775 -0.00183457 -0.01683978 201 GLN   A H    
1571 H  HA   . GLN   A 89  ? 0.00657762 0.30582094 0.17204577 -0.00554599 -0.00451043 -0.01782026 201 GLN   A HA   
1572 H  HB2  . GLN   A 89  ? 0.01872260 0.31222731 0.18497972 -0.00338469 -0.01252651 -0.01380634 201 GLN   A HB2  
1573 H  HB3  . GLN   A 89  ? 0.01850579 0.31211442 0.18501830 -0.00335324 -0.01231790 -0.01387866 201 GLN   A HB3  
1574 H  HG2  . GLN   A 89  ? 0.03747227 0.32284003 0.20103750 0.00134914  -0.02190377 -0.01205254 201 GLN   A HG2  
1575 H  HG3  . GLN   A 89  ? 0.03713247 0.32261062 0.20071897 0.00110862  -0.02192074 -0.01198725 201 GLN   A HG3  
1576 H  HE21 . GLN   A 89  ? 0.09863345 0.34129518 0.23696287 0.01571756  -0.03329397 -0.00566356 201 GLN   A HE21 
1577 H  HE22 . GLN   A 89  ? 0.09796460 0.34194940 0.23714723 0.01601460  -0.03140038 -0.00664235 201 GLN   A HE22 
1578 N  N    . VAL   A 90  ? 0.00642578 0.29725683 0.16305806 -0.00515750 0.00089574  -0.02127376 202 VAL   A N    
1579 C  CA   . VAL   A 90  ? 0.00872769 0.29421258 0.16095605 -0.00799384 0.00100624  -0.01879639 202 VAL   A CA   
1580 C  C    . VAL   A 90  ? 0.01583406 0.29334992 0.17026152 -0.00880082 0.00895028  -0.01710428 202 VAL   A C    
1581 O  O    . VAL   A 90  ? 0.02983201 0.29499596 0.18156171 0.00396946  0.01107568  -0.01644342 202 VAL   A O    
1582 C  CB   . VAL   A 90  ? 0.01439757 0.29803115 0.15941532 -0.00929543 0.00339396  -0.01739694 202 VAL   A CB   
1583 C  CG1  . VAL   A 90  ? 0.01756676 0.29704922 0.16523987 -0.01025003 -0.00076150 -0.01525202 202 VAL   A CG1  
1584 C  CG2  . VAL   A 90  ? 0.01411148 0.29949337 0.15679759 -0.01201366 0.00379866  -0.01697224 202 VAL   A CG2  
1585 H  H    . VAL   A 90  ? 0.00646383 0.29776031 0.16247855 -0.00544331 0.00253386  -0.02123787 202 VAL   A H    
1586 H  HA   . VAL   A 90  ? 0.01029445 0.29489493 0.16250217 -0.00742238 0.00269865  -0.01882923 202 VAL   A HA   
1587 H  HB   . VAL   A 90  ? 0.01436586 0.29737014 0.15955931 -0.00928861 0.00294765  -0.01742950 202 VAL   A HB   
1588 H  HG11 . VAL   A 90  ? 0.01838593 0.29698277 0.16413648 -0.01002228 -0.00030575 -0.01552821 202 VAL   A HG11 
1589 H  HG12 . VAL   A 90  ? 0.01747377 0.29694736 0.16414827 -0.00996592 -0.00008252 -0.01555805 202 VAL   A HG12 
1590 H  HG13 . VAL   A 90  ? 0.01747932 0.29702365 0.16443731 -0.00995695 -0.00014810 -0.01567240 202 VAL   A HG13 
1591 H  HG21 . VAL   A 90  ? 0.01491117 0.29891235 0.15681981 -0.01146609 0.00369164  -0.01707924 202 VAL   A HG21 
1592 H  HG22 . VAL   A 90  ? 0.01493950 0.29882628 0.15679805 -0.01167509 0.00336646  -0.01724289 202 VAL   A HG22 
1593 H  HG23 . VAL   A 90  ? 0.01515058 0.29883540 0.15695076 -0.01134224 0.00385908  -0.01717580 202 VAL   A HG23 
1594 N  N    . LEU   A 91  ? 0.01413447 0.29575974 0.18057083 -0.01081865 0.01252876  -0.01803784 203 LEU   A N    
1595 C  CA   . LEU   A 91  ? 0.03715662 0.29941213 0.18852168 -0.00438573 0.01421121  -0.01620827 203 LEU   A CA   
1596 C  C    . LEU   A 91  ? 0.04140301 0.29565543 0.18704304 -0.00569395 0.01494716  -0.01556845 203 LEU   A C    
1597 O  O    . LEU   A 91  ? 0.04214172 0.29697448 0.19612569 -0.00260080 0.02157577  -0.02294205 203 LEU   A O    
1598 C  CB   . LEU   A 91  ? 0.06387755 0.30845839 0.19334367 -0.00873383 0.01916412  -0.01357179 203 LEU   A CB   
1599 C  CG   . LEU   A 91  ? 0.10522399 0.31790894 0.20780982 -0.01055557 0.02552740  -0.01112234 203 LEU   A CG   
1600 C  CD1  . LEU   A 91  ? 0.11261254 0.31847358 0.21017776 -0.00720317 0.02251562  -0.01006610 203 LEU   A CD1  
1601 C  CD2  . LEU   A 91  ? 0.12492403 0.32912588 0.21420816 -0.00918823 0.03286440  -0.00900149 203 LEU   A CD2  
1602 H  H    . LEU   A 91  ? 0.01759410 0.29545844 0.17938031 -0.00910173 0.01222233  -0.01793673 203 LEU   A H    
1603 H  HA   . LEU   A 91  ? 0.03708848 0.29883617 0.18734156 -0.00524175 0.01489474  -0.01592503 203 LEU   A HA   
1604 H  HB2  . LEU   A 91  ? 0.06411691 0.30794978 0.19409707 -0.00817190 0.01904316  -0.01377608 203 LEU   A HB2  
1605 H  HB3  . LEU   A 91  ? 0.06467099 0.30807751 0.19448009 -0.00799457 0.01920424  -0.01362506 203 LEU   A HB3  
1606 H  HG   . LEU   A 91  ? 0.10231394 0.31753755 0.20680612 -0.00914057 0.02600440  -0.01072193 203 LEU   A HG   
1607 H  HD11 . LEU   A 91  ? 0.11042175 0.31790537 0.20990984 -0.00764033 0.02268228  -0.01020673 203 LEU   A HD11 
1608 H  HD12 . LEU   A 91  ? 0.11153735 0.31819224 0.20961756 -0.00770146 0.02295879  -0.01018368 203 LEU   A HD12 
1609 H  HD13 . LEU   A 91  ? 0.11202975 0.31812263 0.20971632 -0.00759285 0.02310783  -0.01005688 203 LEU   A HD13 
1610 H  HD21 . LEU   A 91  ? 0.12406208 0.32734436 0.21289562 -0.00958412 0.03168502  -0.00903365 203 LEU   A HD21 
1611 H  HD22 . LEU   A 91  ? 0.12326121 0.32745665 0.21344037 -0.00887530 0.03251456  -0.00870203 203 LEU   A HD22 
1612 H  HD23 . LEU   A 91  ? 0.12282217 0.32866544 0.21306036 -0.00925659 0.03173750  -0.00887542 203 LEU   A HD23 
1613 N  N    . VAL   A 92  ? 0.03310537 0.29631108 0.17892407 -0.00357850 0.01349256  -0.00914146 204 VAL   A N    
1614 C  CA   . VAL   A 92  ? 0.03979503 0.29647166 0.18368810 -0.00549841 0.00884133  -0.00470562 204 VAL   A CA   
1615 C  C    . VAL   A 92  ? 0.04795105 0.29957217 0.18668702 -0.01040308 0.00268803  -0.00019503 204 VAL   A C    
1616 O  O    . VAL   A 92  ? 0.04594277 0.29724425 0.19733892 -0.01016943 -0.00051987 -0.00324136 204 VAL   A O    
1617 C  CB   . VAL   A 92  ? 0.03776626 0.30084085 0.19206458 -0.00636062 0.01572826  -0.00244468 204 VAL   A CB   
1618 C  CG1  . VAL   A 92  ? 0.04988144 0.30288017 0.19508582 -0.00581779 0.01058684  -0.00176429 204 VAL   A CG1  
1619 C  CG2  . VAL   A 92  ? 0.04540475 0.30513686 0.19826636 -0.00891829 0.01849819  -0.00122905 204 VAL   A CG2  
1620 H  H    . VAL   A 92  ? 0.03377272 0.29610902 0.18132876 -0.00311843 0.01283096  -0.00932416 204 VAL   A H    
1621 H  HA   . VAL   A 92  ? 0.04004193 0.29679704 0.18429714 -0.00562522 0.00945864  -0.00435430 204 VAL   A HA   
1622 H  HB   . VAL   A 92  ? 0.04062770 0.30071247 0.19192083 -0.00627407 0.01461218  -0.00233111 204 VAL   A HB   
1623 H  HG11 . VAL   A 92  ? 0.04836306 0.30239314 0.19459394 -0.00599066 0.01147797  -0.00183209 204 VAL   A HG11 
1624 H  HG12 . VAL   A 92  ? 0.04831620 0.30253065 0.19458386 -0.00564190 0.01129697  -0.00187797 204 VAL   A HG12 
1625 H  HG13 . VAL   A 92  ? 0.04860757 0.30232853 0.19514090 -0.00600131 0.01089049  -0.00155388 204 VAL   A HG13 
1626 H  HG21 . VAL   A 92  ? 0.04454632 0.30413443 0.19774625 -0.00863345 0.01812852  -0.00111586 204 VAL   A HG21 
1627 H  HG22 . VAL   A 92  ? 0.04453313 0.30404967 0.19752975 -0.00838377 0.01859895  -0.00127238 204 VAL   A HG22 
1628 H  HG23 . VAL   A 92  ? 0.04453981 0.30437988 0.19730975 -0.00883639 0.01834127  -0.00148645 204 VAL   A HG23 
1629 N  N    A GLU   A 93  ? 0.04784171 0.29671806 0.17944092 -0.01344034 0.00101863  0.00255291  205 GLU   A N    
1630 N  N    B GLU   A 93  ? 0.04840238 0.30315709 0.19174898 -0.01239851 0.00229015  0.00205275  205 GLU   A N    
1631 C  CA   A GLU   A 93  ? 0.05647191 0.29823416 0.17467178 -0.01762873 0.00055910  0.00534241  205 GLU   A CA   
1632 C  CA   B GLU   A 93  ? 0.06684513 0.30673200 0.19425273 -0.01902766 0.00329614  0.00553759  205 GLU   A CA   
1633 C  C    A GLU   A 93  ? 0.06183677 0.29774785 0.17179182 -0.02068173 0.00282382  0.00667841  205 GLU   A C    
1634 C  C    B GLU   A 93  ? 0.06968014 0.30195963 0.18689151 -0.02214820 0.00582461  0.00802140  205 GLU   A C    
1635 O  O    A GLU   A 93  ? 0.04845325 0.29586619 0.16979016 -0.02178775 0.00837297  0.00606618  205 GLU   A O    
1636 O  O    B GLU   A 93  ? 0.05858673 0.30161858 0.18502882 -0.02559765 0.01027784  0.00833395  205 GLU   A O    
1637 C  CB   A GLU   A 93  ? 0.05730989 0.30010307 0.17321920 -0.01704625 0.00029373  0.00752574  205 GLU   A CB   
1638 C  CB   B GLU   A 93  ? 0.07857662 0.31619763 0.20571713 -0.01563663 0.01076754  0.00695993  205 GLU   A CB   
1639 C  CG   A GLU   A 93  ? 0.06743594 0.30357921 0.17138448 -0.01661930 -0.00022237 0.00816403  205 GLU   A CG   
1640 C  CG   B GLU   A 93  ? 0.10037949 0.32646894 0.21295556 -0.01659651 0.00651750  0.00644480  205 GLU   A CG   
1641 C  CD   A GLU   A 93  ? 0.07852022 0.30805218 0.17880504 -0.01472983 -0.00158481 0.01185062  205 GLU   A CD   
1642 C  CD   B GLU   A 93  ? 0.12834091 0.34165972 0.22770122 -0.01032228 0.01865277  0.00660488  205 GLU   A CD   
1643 O  OE1  A GLU   A 93  ? 0.09002899 0.31644827 0.18435366 -0.01576142 -0.00742073 0.01230578  205 GLU   A OE1  
1644 O  OE1  B GLU   A 93  ? 0.13010928 0.35052902 0.24613787 -0.00738919 0.02294365  0.00943436  205 GLU   A OE1  
1645 O  OE2  A GLU   A 93  ? 0.09800167 0.31173933 0.18447939 -0.01034783 -0.00752916 0.01191399  205 GLU   A OE2  
1646 O  OE2  B GLU   A 93  ? 0.14933565 0.36108351 0.24128897 -0.01145986 0.01306020  -0.00100663 205 GLU   A OE2  
1647 H  H    A GLU   A 93  ? 0.04941113 0.29676485 0.17984708 -0.01331779 0.00127761  0.00255544  205 GLU   A H    
1648 H  H    B GLU   A 93  ? 0.05143442 0.30244255 0.19109353 -0.01278114 0.00261762  0.00222528  205 GLU   A H    
1649 H  HA   A GLU   A 93  ? 0.05638165 0.29803056 0.17475176 -0.01733563 0.00094523  0.00525206  205 GLU   A HA   
1650 H  HA   B GLU   A 93  ? 0.06610438 0.30658358 0.19393368 -0.01809750 0.00450017  0.00534902  205 GLU   A HA   
1651 H  HB2  A GLU   A 93  ? 0.05858655 0.29983306 0.17302532 -0.01716258 0.00010892  0.00750458  205 GLU   A HB2  
1652 H  HB2  B GLU   A 93  ? 0.07943793 0.31577468 0.20468625 -0.01642448 0.00887408  0.00690229  205 GLU   A HB2  
1653 H  HB3  A GLU   A 93  ? 0.05877011 0.29980010 0.17316556 -0.01732750 0.00019180  0.00750701  205 GLU   A HB3  
1654 H  HB3  B GLU   A 93  ? 0.07956978 0.31566459 0.20466273 -0.01637820 0.00885432  0.00695451  205 GLU   A HB3  
1655 H  HG2  A GLU   A 93  ? 0.06763224 0.30333215 0.17235550 -0.01640170 -0.00023885 0.00866308  205 GLU   A HG2  
1656 H  HG2  B GLU   A 93  ? 0.10088605 0.32668549 0.21376842 -0.01534584 0.00935139  0.00691545  205 GLU   A HG2  
1657 H  HG3  A GLU   A 93  ? 0.06752959 0.30336851 0.17220919 -0.01627328 -0.00013819 0.00858488  205 GLU   A HG3  
1658 H  HG3  B GLU   A 93  ? 0.10073829 0.32648110 0.21374971 -0.01540434 0.00936822  0.00697852  205 GLU   A HG3  
1659 N  N    . PRO   A 94  ? 0.07200819 0.30037928 0.18133520 -0.02433663 0.00772126  0.00688498  206 PRO   A N    
1660 C  CA   . PRO   A 94  ? 0.07622226 0.30189788 0.18274149 -0.02811679 0.00810078  0.00435536  206 PRO   A CA   
1661 C  C    . PRO   A 94  ? 0.07343857 0.30227739 0.17803578 -0.03293262 0.00557686  0.00224629  206 PRO   A C    
1662 O  O    . PRO   A 94  ? 0.08767951 0.30912894 0.18030000 -0.03933513 0.00933740  -0.00303292 206 PRO   A O    
1663 C  CB   . PRO   A 94  ? 0.08402120 0.30230772 0.19030519 -0.02784366 0.00900084  0.00558442  206 PRO   A CB   
1664 C  CG   . PRO   A 94  ? 0.09081037 0.30207300 0.19157396 -0.02301469 0.00807738  0.00795678  206 PRO   A CG   
1665 C  CD   . PRO   A 94  ? 0.08245562 0.30298543 0.18809374 -0.02403572 0.00478554  0.00947034  206 PRO   A CD   
1666 H  HA   . PRO   A 94  ? 0.07615094 0.30161500 0.18255380 -0.02813238 0.00784912  0.00449822  206 PRO   A HA   
1667 H  HB2  . PRO   A 94  ? 0.08441868 0.30200058 0.18913372 -0.02719466 0.00895382  0.00581604  206 PRO   A HB2  
1668 H  HB3  . PRO   A 94  ? 0.08400232 0.30205721 0.18928914 -0.02720920 0.00886524  0.00593369  206 PRO   A HB3  
1669 H  HG2  . PRO   A 94  ? 0.08921464 0.30211097 0.19116193 -0.02356648 0.00755371  0.00776638  206 PRO   A HG2  
1670 H  HG3  . PRO   A 94  ? 0.08959886 0.30200839 0.19097050 -0.02377122 0.00765040  0.00795238  206 PRO   A HG3  
1671 H  HD2  . PRO   A 94  ? 0.08259099 0.30233270 0.18755549 -0.02407470 0.00509313  0.00922071  206 PRO   A HD2  
1672 H  HD3  . PRO   A 94  ? 0.08208929 0.30221426 0.18718214 -0.02384057 0.00538242  0.00901980  206 PRO   A HD3  
1673 N  N    . ASP   A 95  ? 0.06961793 0.30463988 0.16827887 -0.03332261 0.00589942  0.00280208  207 ASP   A N    
1674 C  CA   . ASP   A 95  ? 0.05905081 0.30604625 0.16848437 -0.03366745 0.01241750  0.00144664  207 ASP   A CA   
1675 C  C    . ASP   A 95  ? 0.05270652 0.30425954 0.16652812 -0.03602230 0.01187841  0.00148659  207 ASP   A C    
1676 O  O    . ASP   A 95  ? 0.05394027 0.30491984 0.17234871 -0.03984012 0.00126192  0.00187107  207 ASP   A O    
1677 C  CB   . ASP   A 95  ? 0.06194703 0.31237173 0.17844188 -0.03257788 0.01842774  0.00232855  207 ASP   A CB   
1678 C  CG   . ASP   A 95  ? 0.08014465 0.31789857 0.18502949 -0.03583765 0.02019558  0.00080175  207 ASP   A CG   
1679 O  OD1  . ASP   A 95  ? 0.08548289 0.32723564 0.19368473 -0.03776177 0.02782858  -0.00218736 207 ASP   A OD1  
1680 O  OD2  . ASP   A 95  ? 0.09606355 0.32792813 0.19930933 -0.04582552 0.03293867  0.00109163  207 ASP   A OD2  
1681 H  H    . ASP   A 95  ? 0.06857827 0.30421704 0.16858466 -0.03319204 0.00682968  0.00266804  207 ASP   A H    
1682 H  HA   . ASP   A 95  ? 0.06087071 0.30621511 0.16869268 -0.03374890 0.01229407  0.00168050  207 ASP   A HA   
1683 H  HB2  . ASP   A 95  ? 0.06531943 0.31205267 0.17841890 -0.03324224 0.01787821  0.00177542  207 ASP   A HB2  
1684 H  HB3  . ASP   A 95  ? 0.06430627 0.31148130 0.17783965 -0.03287527 0.01744530  0.00204492  207 ASP   A HB3  
1685 N  N    . HIS   A 96  ? 0.06248938 0.30764556 0.16775371 -0.03415451 0.00390004  -0.00063316 208 HIS   A N    
1686 C  CA   . HIS   A 96  ? 0.05797882 0.30935544 0.17018788 -0.03430812 0.00817467  0.00055266  208 HIS   A CA   
1687 C  C    . HIS   A 96  ? 0.05495792 0.29603660 0.16768016 -0.02703559 0.00572461  0.00224704  208 HIS   A C    
1688 O  O    . HIS   A 96  ? 0.04809508 0.29776865 0.16988726 -0.02943231 0.00339875  0.00555567  208 HIS   A O    
1689 C  CB   . HIS   A 96  ? 0.07953852 0.32625812 0.19087291 -0.03602361 0.02351891  -0.00290667 208 HIS   A CB   
1690 C  CG   . HIS   A 96  ? 0.11779943 0.34960258 0.20666307 -0.03474466 0.02345733  0.00399634  208 HIS   A CG   
1691 N  ND1  . HIS   A 96  ? 0.14250155 0.37120306 0.22392058 -0.04258907 0.03731942  0.01362312  208 HIS   A ND1  
1692 C  CD2  . HIS   A 96  ? 0.13321166 0.36670232 0.21457130 -0.03842349 0.01971551  0.00810461  208 HIS   A CD2  
1693 C  CE1  . HIS   A 96  ? 0.15034136 0.37645388 0.22570793 -0.04217488 0.02885596  0.01250140  208 HIS   A CE1  
1694 N  NE2  . HIS   A 96  ? 0.14195696 0.37631744 0.21986564 -0.03758821 0.02833409  0.01188072  208 HIS   A NE2  
1695 H  H    . HIS   A 96  ? 0.06011903 0.30695081 0.16802883 -0.03442512 0.00606168  -0.00005853 208 HIS   A H    
1696 H  HA   . HIS   A 96  ? 0.06091855 0.30846953 0.17052378 -0.03293213 0.00910660  0.00046902  208 HIS   A HA   
1697 H  HB2  . HIS   A 96  ? 0.08036757 0.32579243 0.18895483 -0.03519703 0.02104970  -0.00098432 208 HIS   A HB2  
1698 H  HB3  . HIS   A 96  ? 0.08086342 0.32652909 0.18941262 -0.03511252 0.02127145  -0.00082507 208 HIS   A HB3  
1699 H  HD1  . HIS   A 96  ? 0.28606766 0.28606766 0.28606766 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1700 H  HD2  . HIS   A 96  ? 0.13290592 0.36505836 0.21403043 -0.03769097 0.02205768  0.00830256  208 HIS   A HD2  
1701 H  HE1  . HIS   A 96  ? 0.14809023 0.37627918 0.22495641 -0.04157802 0.02995663  0.01197168  208 HIS   A HE1  
1702 H  HE2  . HIS   A 96  ? 0.27452973 0.27452973 0.27452973 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1703 N  N    . PHE   A 97  ? 0.03297188 0.28996551 0.16944923 -0.02411101 -0.00079965 0.00193993  209 PHE   A N    
1704 C  CA   . PHE   A 97  ? 0.03373712 0.28998071 0.17559792 -0.01897128 -0.00562306 -0.00228445 209 PHE   A CA   
1705 C  C    . PHE   A 97  ? 0.03183088 0.29289466 0.18276612 -0.01270954 -0.00180910 -0.00550184 209 PHE   A C    
1706 O  O    . PHE   A 97  ? 0.03356747 0.30417335 0.19135299 -0.00636015 -0.00277188 -0.00408485 209 PHE   A O    
1707 C  CB   . PHE   A 97  ? 0.03724789 0.28964686 0.17859325 -0.01974070 -0.00560112 -0.00212229 209 PHE   A CB   
1708 C  CG   . PHE   A 97  ? 0.04971261 0.29359168 0.17870010 -0.01984262 -0.00506265 -0.00211441 209 PHE   A CG   
1709 C  CD1  . PHE   A 97  ? 0.05213876 0.29823047 0.17787425 -0.01797040 0.00169767  -0.00267956 209 PHE   A CD1  
1710 C  CD2  . PHE   A 97  ? 0.06797027 0.29651719 0.17905983 -0.01990827 -0.00712710 0.00036717  209 PHE   A CD2  
1711 C  CE1  . PHE   A 97  ? 0.06369113 0.30389696 0.17908569 -0.01631686 0.00389826  -0.00292898 209 PHE   A CE1  
1712 C  CE2  . PHE   A 97  ? 0.07878969 0.30225265 0.18073328 -0.01841035 -0.00494062 -0.00124544 209 PHE   A CE2  
1713 C  CZ   . PHE   A 97  ? 0.07818250 0.30254298 0.17607619 -0.02070868 0.00099254  -0.00307692 209 PHE   A CZ   
1714 H  H    . PHE   A 97  ? 0.03741457 0.29054964 0.16974466 -0.02338607 -0.00075113 0.00201418  209 PHE   A H    
1715 H  HA   . PHE   A 97  ? 0.03396834 0.28995335 0.17593220 -0.01885741 -0.00431760 -0.00216766 209 PHE   A HA   
1716 H  HB2  . PHE   A 97  ? 0.03891213 0.28958786 0.17808098 -0.01942340 -0.00545798 -0.00214698 209 PHE   A HB2  
1717 H  HB3  . PHE   A 97  ? 0.03862488 0.28970146 0.17785956 -0.01990335 -0.00573752 -0.00237713 209 PHE   A HB3  
1718 H  HD1  . PHE   A 97  ? 0.05418359 0.29817677 0.17788325 -0.01806900 0.00106046  -0.00262547 209 PHE   A HD1  
1719 H  HD2  . PHE   A 97  ? 0.06771628 0.29676116 0.17918521 -0.01998958 -0.00636764 -0.00012936 209 PHE   A HD2  
1720 H  HE1  . PHE   A 97  ? 0.06365001 0.30260175 0.17840707 -0.01681487 0.00331246  -0.00278128 209 PHE   A HE1  
1721 H  HE2  . PHE   A 97  ? 0.07679123 0.30110610 0.17992030 -0.01920246 -0.00410758 -0.00135937 209 PHE   A HE2  
1722 H  HZ   . PHE   A 97  ? 0.07606883 0.30247653 0.17670502 -0.01942734 0.00094622  -0.00276304 209 PHE   A HZ   
1723 N  N    . LYS   A 98  ? 0.01367152 0.29740912 0.18727913 -0.01480238 -0.00004895 -0.01071390 210 LYS   A N    
1724 C  CA   . LYS   A 98  ? 0.02443193 0.30639523 0.19717625 -0.01827546 -0.00233165 -0.01831001 210 LYS   A CA   
1725 C  C    . LYS   A 98  ? 0.01029805 0.30525142 0.18834668 -0.01555980 0.00217188  -0.01653723 210 LYS   A C    
1726 O  O    . LYS   A 98  ? 0.01788300 0.31812119 0.22020146 -0.00435624 0.00774668  -0.02423348 210 LYS   A O    
1727 C  CB   . LYS   A 98  ? 0.06561969 0.32271785 0.22065261 -0.01364675 -0.00006899 -0.01126069 210 LYS   A CB   
1728 C  CG   . LYS   A 98  ? 0.11267129 0.34507191 0.23556948 -0.00594197 0.00039011  -0.01816801 210 LYS   A CG   
1729 C  CD   . LYS   A 98  ? 0.15582916 0.36232543 0.26575893 0.00465266  0.00121085  -0.00749833 210 LYS   A CD   
1730 C  CE   . LYS   A 98  ? 0.17579150 0.38064700 0.29296046 0.00775232  -0.01217084 -0.01344629 210 LYS   A CE   
1731 N  NZ   . LYS   A 98  ? 0.17987363 0.38659251 0.30490637 0.01620960  -0.01983834 -0.01614465 210 LYS   A NZ   
1732 H  H    . LYS   A 98  ? 0.01829579 0.29673666 0.18783210 -0.01380430 -0.00040666 -0.01091276 210 LYS   A H    
1733 H  HA   . LYS   A 98  ? 0.02562289 0.30625468 0.19608109 -0.01697265 -0.00094938 -0.01596080 210 LYS   A HA   
1734 H  HB2  . LYS   A 98  ? 0.06398755 0.32249528 0.21748249 -0.01277244 0.00035774  -0.01295987 210 LYS   A HB2  
1735 H  HB3  . LYS   A 98  ? 0.06526575 0.32202393 0.21719456 -0.01352381 0.00035916  -0.01324693 210 LYS   A HB3  
1736 H  HG2  . LYS   A 98  ? 0.10941499 0.34326136 0.23673418 -0.00537346 0.00044831  -0.01510386 210 LYS   A HG2  
1737 H  HG3  . LYS   A 98  ? 0.11244513 0.34289265 0.23627339 -0.00576726 0.00059828  -0.01510507 210 LYS   A HG3  
1738 H  HD2  . LYS   A 98  ? 0.15220077 0.36173093 0.26383090 0.00347578  -0.00108935 -0.00996099 210 LYS   A HD2  
1739 H  HD3  . LYS   A 98  ? 0.15002228 0.36214638 0.26302880 0.00300061  -0.00060184 -0.00947026 210 LYS   A HD3  
1740 H  HE2  . LYS   A 98  ? 0.17479517 0.37932813 0.29211217 0.00894698  -0.01097155 -0.01323885 210 LYS   A HE2  
1741 H  HE3  . LYS   A 98  ? 0.17661349 0.37912959 0.29187602 0.00920982  -0.01181075 -0.01308048 210 LYS   A HE3  
1742 H  HZ1  . LYS   A 98  ? 0.17994449 0.38584906 0.30285090 0.01450364  -0.01943381 -0.01545685 210 LYS   A HZ1  
1743 H  HZ2  . LYS   A 98  ? 0.17789954 0.38576049 0.30268049 0.01456658  -0.01836144 -0.01602409 210 LYS   A HZ2  
1744 H  HZ3  . LYS   A 98  ? 0.17898586 0.38541406 0.30249894 0.01475458  -0.01840771 -0.01537204 210 LYS   A HZ3  
1745 N  N    . VAL   A 99  ? 0.00747040 0.30011964 0.16982256 -0.01609764 0.00713481  -0.01239235 211 VAL   A N    
1746 C  CA   . VAL   A 99  ? 0.00780901 0.30030859 0.16223389 -0.01445790 0.01131973  -0.00822444 211 VAL   A CA   
1747 C  C    . VAL   A 99  ? 0.00788502 0.29659295 0.15856525 -0.01261873 0.01262622  -0.00620549 211 VAL   A C    
1748 O  O    . VAL   A 99  ? 0.00806125 0.30507165 0.15812469 -0.01173455 0.01370411  0.00420031  211 VAL   A O    
1749 C  CB   . VAL   A 99  ? 0.00804970 0.30389112 0.16826281 -0.01038107 0.01268932  -0.00356485 211 VAL   A CB   
1750 C  CG1  . VAL   A 99  ? 0.01149091 0.30552715 0.17413469 -0.01057398 0.00698449  -0.00143501 211 VAL   A CG1  
1751 C  CG2  . VAL   A 99  ? 0.02135564 0.30632681 0.17037486 -0.00487157 0.00873638  -0.00480114 211 VAL   A CG2  
1752 H  H    . VAL   A 99  ? 0.00739556 0.30060756 0.17187160 -0.01464481 0.00774892  -0.01261835 211 VAL   A H    
1753 H  HA   . VAL   A 99  ? 0.00772149 0.29986435 0.16363007 -0.01300937 0.01166413  -0.00832581 211 VAL   A HA   
1754 H  HB   . VAL   A 99  ? 0.00868579 0.30353153 0.16804299 -0.00971563 0.01214607  -0.00417435 211 VAL   A HB   
1755 H  HG11 . VAL   A 99  ? 0.01233451 0.30495679 0.17297378 -0.01042420 0.00811057  -0.00163807 211 VAL   A HG11 
1756 H  HG12 . VAL   A 99  ? 0.01126156 0.30498439 0.17349683 -0.01047028 0.00814258  -0.00148123 211 VAL   A HG12 
1757 H  HG13 . VAL   A 99  ? 0.01129007 0.30498517 0.17292088 -0.01040561 0.00814449  -0.00168642 211 VAL   A HG13 
1758 H  HG21 . VAL   A 99  ? 0.01926301 0.30587631 0.16971223 -0.00575993 0.00960032  -0.00444188 211 VAL   A HG21 
1759 H  HG22 . VAL   A 99  ? 0.01992259 0.30617511 0.16969329 -0.00516349 0.00970083  -0.00427680 211 VAL   A HG22 
1760 H  HG23 . VAL   A 99  ? 0.02072980 0.30586046 0.16971387 -0.00581634 0.00939960  -0.00427724 211 VAL   A HG23 
1761 N  N    . ALA   A 100 ? 0.00949141 0.29656285 0.15365106 -0.01399770 0.00522085  -0.00789583 212 ALA   A N    
1762 C  CA   . ALA   A 100 ? 0.01390426 0.29530507 0.15484168 -0.01527301 0.00647006  -0.00965455 212 ALA   A CA   
1763 C  C    . ALA   A 100 ? 0.00747511 0.29436415 0.15271547 -0.01402391 0.00881934  -0.01299543 212 ALA   A C    
1764 O  O    . ALA   A 100 ? 0.00794644 0.29863662 0.16665404 -0.01412849 0.01321259  -0.02190056 212 ALA   A O    
1765 C  CB   . ALA   A 100 ? 0.04210696 0.29850149 0.16023110 -0.01459531 0.00378432  -0.00651634 212 ALA   A CB   
1766 H  H    . ALA   A 100 ? 0.00942256 0.29645526 0.15522794 -0.01436415 0.00642445  -0.00763347 212 ALA   A H    
1767 H  HA   . ALA   A 100 ? 0.01494752 0.29569089 0.15475795 -0.01450927 0.00682631  -0.00933979 212 ALA   A HA   
1768 H  HB1  . ALA   A 100 ? 0.03832186 0.29881370 0.15930910 -0.01382325 0.00417267  -0.00667237 212 ALA   A HB1  
1769 H  HB2  . ALA   A 100 ? 0.03966204 0.29850328 0.15935655 -0.01545732 0.00348373  -0.00630939 212 ALA   A HB2  
1770 H  HB3  . ALA   A 100 ? 0.03716313 0.29815525 0.15951337 -0.01453598 0.00430004  -0.00644298 212 ALA   A HB3  
1771 N  N    . VAL   A 101 ? 0.00742463 0.29139447 0.14432621 -0.01299732 0.00874096  -0.00986335 213 VAL   A N    
1772 C  CA   . VAL   A 101 ? 0.01013148 0.28633356 0.14144568 -0.01188408 0.00893459  -0.00975792 213 VAL   A CA   
1773 C  C    . VAL   A 101 ? 0.01230946 0.29671073 0.13909140 -0.01015822 0.01024609  -0.00845251 213 VAL   A C    
1774 O  O    . VAL   A 101 ? 0.01973946 0.30653954 0.13573773 -0.00910553 0.01268584  -0.01219470 213 VAL   A O    
1775 C  CB   . VAL   A 101 ? 0.01295390 0.28493249 0.15020820 -0.00815205 0.00600656  -0.00844823 213 VAL   A CB   
1776 C  CG1  . VAL   A 101 ? 0.01679188 0.28530896 0.15420841 -0.00947726 0.00351362  -0.00772700 213 VAL   A CG1  
1777 C  CG2  . VAL   A 101 ? 0.01346910 0.28224677 0.15356055 -0.00729834 0.00278495  -0.00813366 213 VAL   A CG2  
1778 H  H    . VAL   A 101 ? 0.00758058 0.29099125 0.14420494 -0.01280813 0.01008423  -0.01055234 213 VAL   A H    
1779 H  HA   . VAL   A 101 ? 0.01028128 0.28830040 0.14247648 -0.01111847 0.00913233  -0.00957637 213 VAL   A HA   
1780 H  HB   . VAL   A 101 ? 0.01359674 0.28453344 0.14946611 -0.00842193 0.00611865  -0.00860774 213 VAL   A HB   
1781 H  HG11 . VAL   A 101 ? 0.01749292 0.28497100 0.15347260 -0.00920792 0.00378113  -0.00771229 213 VAL   A HG11 
1782 H  HG12 . VAL   A 101 ? 0.01666918 0.28501880 0.15368199 -0.00917229 0.00403269  -0.00769472 213 VAL   A HG12 
1783 H  HG13 . VAL   A 101 ? 0.01683336 0.28513700 0.15359028 -0.00902520 0.00397016  -0.00777567 213 VAL   A HG13 
1784 H  HG21 . VAL   A 101 ? 0.01371930 0.28216034 0.15273994 -0.00743263 0.00318089  -0.00812209 213 VAL   A HG21 
1785 H  HG22 . VAL   A 101 ? 0.01374313 0.28218609 0.15271324 -0.00743686 0.00320298  -0.00813501 213 VAL   A HG22 
1786 H  HG23 . VAL   A 101 ? 0.01405502 0.28226066 0.15274346 -0.00743379 0.00299530  -0.00811882 213 VAL   A HG23 
1787 N  N    . ASN   A 102 ? 0.01324793 0.30366009 0.13917112 -0.00711604 0.00807077  -0.00841608 214 ASN   A N    
1788 C  CA   . ASN   A 102 ? 0.03781650 0.30692333 0.13955660 -0.01112944 0.00554212  -0.00770303 214 ASN   A CA   
1789 C  C    . ASN   A 102 ? 0.05139308 0.31598991 0.14925185 -0.01325472 0.00513068  -0.00092228 214 ASN   A C    
1790 O  O    . ASN   A 102 ? 0.07459897 0.33307397 0.14896879 -0.01608848 0.01084672  0.00134138  214 ASN   A O    
1791 C  CB   . ASN   A 102 ? 0.03404692 0.30567986 0.13960212 -0.00671903 0.00687294  -0.01079534 214 ASN   A CB   
1792 C  CG   . ASN   A 102 ? 0.03325930 0.30064672 0.13873866 -0.00483959 0.00963608  -0.01586967 214 ASN   A CG   
1793 O  OD1  . ASN   A 102 ? 0.02811229 0.30432343 0.14271314 -0.00847591 0.01174423  -0.01812727 214 ASN   A OD1  
1794 N  ND2  . ASN   A 102 ? 0.04306788 0.30155295 0.14611846 -0.00001621 0.00972658  -0.01665789 214 ASN   A ND2  
1795 H  H    . ASN   A 102 ? 0.01690220 0.30259150 0.13812698 -0.00826567 0.00880742  -0.00837235 214 ASN   A H    
1796 H  HA   . ASN   A 102 ? 0.03805723 0.30717957 0.14063825 -0.01045978 0.00611023  -0.00725657 214 ASN   A HA   
1797 H  HB2  . ASN   A 102 ? 0.03465866 0.30462897 0.13929029 -0.00651071 0.00757987  -0.01119351 214 ASN   A HB2  
1798 H  HB3  . ASN   A 102 ? 0.03507411 0.30484396 0.13908835 -0.00700079 0.00724439  -0.01108462 214 ASN   A HB3  
1799 H  HD21 . ASN   A 102 ? 0.04159877 0.30126625 0.14479059 -0.00127844 0.00914315  -0.01624725 214 ASN   A HD21 
1800 H  HD22 . ASN   A 102 ? 0.04103732 0.30152071 0.14469908 -0.00092870 0.00940205  -0.01677170 214 ASN   A HD22 
1801 N  N    . ASP   A 103 ? 0.05933208 0.32026714 0.16433175 -0.01883017 -0.00216842 0.00283222  215 ASP   A N    
1802 C  CA   . ASP   A 103 ? 0.07877306 0.32944977 0.18138054 -0.02269168 -0.00078308 0.00958617  215 ASP   A CA   
1803 C  C    . ASP   A 103 ? 0.08057779 0.33099085 0.17950270 -0.02383539 0.00531488  0.01431713  215 ASP   A C    
1804 O  O    . ASP   A 103 ? 0.09638040 0.34576291 0.19980207 -0.03242565 0.01281764  0.02438270  215 ASP   A O    
1805 C  CB   . ASP   A 103 ? 0.10472051 0.34002590 0.19624737 -0.01818445 -0.01352728 0.01302556  215 ASP   A CB   
1806 C  CG   . ASP   A 103 ? 0.11135250 0.35702902 0.21858041 -0.01609930 -0.01073691 0.01323844  215 ASP   A CG   
1807 O  OD1  . ASP   A 103 ? 0.13635869 0.36455107 0.23834056 -0.01839651 -0.01669043 0.00875132  215 ASP   A OD1  
1808 O  OD2  . ASP   A 103 ? 0.13926139 0.37848383 0.26784670 -0.02667389 -0.03450268 0.00732090  215 ASP   A OD2  
1809 H  H    . ASP   A 103 ? 0.05958965 0.32012069 0.16431215 -0.01816112 -0.00066111 0.00304474  215 ASP   A H    
1810 H  HA   . ASP   A 103 ? 0.07977159 0.32960641 0.18074399 -0.02156841 -0.00214824 0.00963775  215 ASP   A HA   
1811 H  HB2  . ASP   A 103 ? 0.10066974 0.33995539 0.19652979 -0.01808995 -0.01037821 0.01250187  215 ASP   A HB2  
1812 H  HB3  . ASP   A 103 ? 0.10096938 0.34037662 0.19695757 -0.01791773 -0.01053259 0.01230855  215 ASP   A HB3  
1813 N  N    . ALA   A 104 ? 0.05581663 0.32732838 0.16655256 -0.02558879 0.01263659  0.01004128  216 ALA   A N    
1814 C  CA   . ALA   A 104 ? 0.05811618 0.33404183 0.16602254 -0.02282374 0.01833727  0.00654407  216 ALA   A CA   
1815 C  C    . ALA   A 104 ? 0.05883692 0.33813751 0.15852593 -0.02144573 0.02600458  0.00459279  216 ALA   A C    
1816 O  O    . ALA   A 104 ? 0.05624207 0.33839434 0.15595478 -0.01966691 0.03018230  0.00280267  216 ALA   A O    
1817 C  CB   . ALA   A 104 ? 0.07759096 0.33986688 0.17349029 -0.01786508 0.01497226  0.00335584  216 ALA   A CB   
1818 H  H    . ALA   A 104 ? 0.06025416 0.32772458 0.16734327 -0.02506118 0.01276507  0.01069436  216 ALA   A H    
1819 H  HA   . ALA   A 104 ? 0.06049494 0.33427417 0.16605707 -0.02252016 0.01813892  0.00692001  216 ALA   A HA   
1820 H  HB1  . ALA   A 104 ? 0.07504656 0.33875644 0.17268047 -0.01856696 0.01604624  0.00395216  216 ALA   A HB1  
1821 H  HB2  . ALA   A 104 ? 0.07640803 0.33989972 0.17452215 -0.01840468 0.01621255  0.00383575  216 ALA   A HB2  
1822 H  HB3  . ALA   A 104 ? 0.07760664 0.33874977 0.17241377 -0.01864078 0.01582161  0.00391616  216 ALA   A HB3  
1823 N  N    . HIS   A 105 ? 0.06487964 0.34849578 0.16547166 -0.02695422 0.02249101  0.00585493  217 HIS   A N    
1824 C  CA   . HIS   A 105 ? 0.06002090 0.35590899 0.17147496 -0.02372298 0.01944496  0.00237058  217 HIS   A CA   
1825 C  C    . HIS   A 105 ? 0.04939726 0.35134685 0.16666581 -0.01421805 0.02442426  -0.00438744 217 HIS   A C    
1826 O  O    . HIS   A 105 ? 0.06231971 0.36286062 0.17103644 -0.00205504 0.02554012  -0.00952623 217 HIS   A O    
1827 C  CB   . HIS   A 105 ? 0.07280707 0.36693698 0.18713149 -0.03393823 0.01448309  0.00476465  217 HIS   A CB   
1828 C  CG   . HIS   A 105 ? 0.09331972 0.38244665 0.19683343 -0.03958280 0.00354437  0.00316016  217 HIS   A CG   
1829 N  ND1  . HIS   A 105 ? 0.11113901 0.39416134 0.21869588 -0.03329471 -0.00812520 -0.00835409 217 HIS   A ND1  
1830 C  CD2  . HIS   A 105 ? 0.09919865 0.39131689 0.20851173 -0.03539306 0.00173095  0.00194986  217 HIS   A CD2  
1831 C  CE1  . HIS   A 105 ? 0.11087836 0.39743251 0.22230355 -0.03348837 -0.01084459 -0.00486868 217 HIS   A CE1  
1832 N  NE2  . HIS   A 105 ? 0.10915195 0.39990097 0.20800440 -0.03910879 0.00378460  0.00106368  217 HIS   A NE2  
1833 H  H    . HIS   A 105 ? 0.06327575 0.34764737 0.16489956 -0.02553752 0.02254039  0.00533257  217 HIS   A H    
1834 H  HA   . HIS   A 105 ? 0.06091445 0.35503846 0.17175961 -0.02395507 0.01998087  0.00227908  217 HIS   A HA   
1835 H  HB2  . HIS   A 105 ? 0.07425156 0.36760920 0.18579592 -0.03300408 0.01338120  0.00413059  217 HIS   A HB2  
1836 H  HB3  . HIS   A 105 ? 0.07427517 0.36762673 0.18579496 -0.03301709 0.01336519  0.00415376  217 HIS   A HB3  
1837 H  HD1  . HIS   A 105 ? 0.26613274 0.26613274 0.26613274 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1838 H  HD2  . HIS   A 105 ? 0.10044542 0.39101112 0.20615247 -0.03667612 0.00232726  0.00191763  217 HIS   A HD2  
1839 H  HE1  . HIS   A 105 ? 0.11072052 0.39665765 0.22029787 -0.03396942 -0.00772724 -0.00378517 217 HIS   A HE1  
1840 H  HE2  . HIS   A 105 ? 0.25473413 0.25473413 0.25473413 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1841 N  N    . LEU   A 106 ? 0.04043205 0.34225261 0.16599499 -0.01056919 0.02176001  -0.00556065 218 LEU   A N    
1842 C  CA   . LEU   A 106 ? 0.03079782 0.34063679 0.16827950 -0.00532158 0.01950218  -0.00548055 218 LEU   A CA   
1843 C  C    . LEU   A 106 ? 0.02026825 0.33830345 0.17107007 0.00224412  0.01901633  -0.00536910 218 LEU   A C    
1844 O  O    . LEU   A 106 ? 0.01358942 0.35351622 0.18832062 0.00294402  0.01643006  -0.01097817 218 LEU   A O    
1845 C  CB   . LEU   A 106 ? 0.03722947 0.33767188 0.17510100 -0.00418214 0.02113222  -0.00038009 218 LEU   A CB   
1846 C  CG   . LEU   A 106 ? 0.05301580 0.34023428 0.18216844 -0.00400247 0.01684024  0.00136507  218 LEU   A CG   
1847 C  CD1  . LEU   A 106 ? 0.06727807 0.34397310 0.19448462 -0.00432214 0.02024051  0.00003530  218 LEU   A CD1  
1848 C  CD2  . LEU   A 106 ? 0.05441801 0.34019262 0.18545160 -0.00393336 0.01862079  0.00230936  218 LEU   A CD2  
1849 H  H    . LEU   A 106 ? 0.04076910 0.34307921 0.16609907 -0.01040262 0.02188965  -0.00554944 218 LEU   A H    
1850 H  HA   . LEU   A 106 ? 0.03221970 0.34011614 0.16926424 -0.00467729 0.02041082  -0.00493045 218 LEU   A HA   
1851 H  HB2  . LEU   A 106 ? 0.03904448 0.33820677 0.17496699 -0.00425661 0.02026381  -0.00095095 218 LEU   A HB2  
1852 H  HB3  . LEU   A 106 ? 0.03865397 0.33792675 0.17480725 -0.00427672 0.02018981  -0.00099391 218 LEU   A HB3  
1853 H  HG   . LEU   A 106 ? 0.05240976 0.34008199 0.18243979 -0.00414039 0.01758001  0.00116447  218 LEU   A HG   
1854 H  HD11 . LEU   A 106 ? 0.06604462 0.34310132 0.19217788 -0.00357619 0.01945853  -0.00010172 218 LEU   A HD11 
1855 H  HD12 . LEU   A 106 ? 0.06528230 0.34342241 0.19233900 -0.00395366 0.01994247  -0.00018304 218 LEU   A HD12 
1856 H  HD13 . LEU   A 106 ? 0.06604669 0.34304094 0.19281858 -0.00340114 0.02041818  0.00032237  218 LEU   A HD13 
1857 H  HD21 . LEU   A 106 ? 0.05480810 0.33979231 0.18481848 -0.00402305 0.01817839  0.00229370  218 LEU   A HD21 
1858 H  HD22 . LEU   A 106 ? 0.05518044 0.33977300 0.18483599 -0.00394419 0.01830118  0.00224190  218 LEU   A HD22 
1859 H  HD23 . LEU   A 106 ? 0.05480936 0.33980322 0.18478626 -0.00403250 0.01823667  0.00214725  218 LEU   A HD23 
1860 N  N    . LEU   A 107 ? 0.00666337 0.33619595 0.15990420 0.00055815  0.00710854  -0.00419754 219 LEU   A N    
1861 C  CA   . LEU   A 107 ? 0.00638054 0.33978420 0.16564524 -0.00346556 0.00139891  -0.00208045 219 LEU   A CA   
1862 C  C    . LEU   A 107 ? 0.01762764 0.33950222 0.16404389 0.00133076  0.00376904  0.00095476  219 LEU   A C    
1863 O  O    . LEU   A 107 ? 0.02826663 0.33848208 0.16928747 0.01253524  0.00457423  -0.00111618 219 LEU   A O    
1864 C  CB   . LEU   A 107 ? 0.01089265 0.34337783 0.16892588 -0.00385716 0.00285070  -0.00240869 219 LEU   A CB   
1865 C  CG   . LEU   A 107 ? 0.01543016 0.34863460 0.17372920 -0.00637373 0.00593800  -0.00119094 219 LEU   A CG   
1866 C  CD1  . LEU   A 107 ? 0.01972940 0.35081393 0.17457780 -0.00411639 0.01379894  -0.00051978 219 LEU   A CD1  
1867 C  CD2  . LEU   A 107 ? 0.02963744 0.35199082 0.17847648 -0.00751784 0.00439967  0.00097725  219 LEU   A CD2  
1868 H  H    . LEU   A 107 ? 0.00686920 0.33583736 0.16275798 0.00272263  0.00893066  -0.00426398 219 LEU   A H    
1869 H  HA   . LEU   A 107 ? 0.00640334 0.33945209 0.16485544 -0.00232002 0.00295518  -0.00202899 219 LEU   A HA   
1870 H  HB2  . LEU   A 107 ? 0.01105265 0.34339148 0.16861103 -0.00408985 0.00293637  -0.00215748 219 LEU   A HB2  
1871 H  HB3  . LEU   A 107 ? 0.01122324 0.34351969 0.16902508 -0.00390066 0.00324039  -0.00222740 219 LEU   A HB3  
1872 H  HG   . LEU   A 107 ? 0.01691888 0.34851223 0.17300180 -0.00558511 0.00555818  -0.00087890 219 LEU   A HG   
1873 H  HD11 . LEU   A 107 ? 0.01982328 0.35015869 0.17414591 -0.00440894 0.01263681  -0.00070274 219 LEU   A HD11 
1874 H  HD12 . LEU   A 107 ? 0.02020317 0.35005355 0.17391503 -0.00461858 0.01348677  -0.00054912 219 LEU   A HD12 
1875 H  HD13 . LEU   A 107 ? 0.02065031 0.35010874 0.17423795 -0.00450426 0.01311181  -0.00067060 219 LEU   A HD13 
1876 H  HD21 . LEU   A 107 ? 0.02780189 0.35114503 0.17784075 -0.00713769 0.00470704  0.00090946  219 LEU   A HD21 
1877 H  HD22 . LEU   A 107 ? 0.02928683 0.35100800 0.17769490 -0.00722219 0.00485715  0.00062506  219 LEU   A HD22 
1878 H  HD23 . LEU   A 107 ? 0.02925059 0.35061705 0.17761776 -0.00692863 0.00426354  0.00054945  219 LEU   A HD23 
1879 N  N    A GLN   A 108 ? 0.02912090 0.33783901 0.16464950 -0.00350301 -0.00009780 0.00128773  220 GLN   A N    
1880 N  N    B GLN   A 108 ? 0.02783893 0.34052539 0.16984595 0.00018312  -0.00194358 0.00256825  220 GLN   A N    
1881 C  CA   A GLN   A 108 ? 0.03804661 0.33727479 0.16408175 -0.00535510 -0.00261386 0.00340349  220 GLN   A CA   
1882 C  CA   B GLN   A 108 ? 0.04014313 0.34106237 0.17355420 0.00299159  -0.00319055 0.00573700  220 GLN   A CA   
1883 C  C    A GLN   A 108 ? 0.02657015 0.32871199 0.16333248 -0.00624401 -0.00096964 0.00497958  220 GLN   A C    
1884 C  C    B GLN   A 108 ? 0.03010204 0.33432633 0.16901112 0.00158040  0.00056131  0.00595918  220 GLN   A C    
1885 O  O    A GLN   A 108 ? 0.02254703 0.32639283 0.16050361 -0.00957910 -0.00405534 0.00361207  220 GLN   A O    
1886 O  O    B GLN   A 108 ? 0.02916504 0.34406143 0.17534159 0.00431668  -0.00304002 0.00595034  220 GLN   A O    
1887 C  CB   A GLN   A 108 ? 0.06265189 0.34274107 0.17264105 -0.00991367 -0.00134660 0.00753632  220 GLN   A CB   
1888 C  CB   B GLN   A 108 ? 0.06861236 0.34705180 0.18847853 0.00574375  -0.00149211 0.01370900  220 GLN   A CB   
1889 C  CG   A GLN   A 108 ? 0.08589400 0.35427684 0.17741668 -0.00763217 -0.00380349 0.01077397  220 GLN   A CG   
1890 C  CG   B GLN   A 108 ? 0.07097952 0.35838115 0.20485203 0.00635198  -0.00461577 0.01988382  220 GLN   A CG   
1891 C  CD   A GLN   A 108 ? 0.11125977 0.36113703 0.19346100 -0.01094669 0.00106088  0.01470788  220 GLN   A CD   
1892 C  CD   B GLN   A 108 ? 0.08919753 0.36577535 0.22245288 0.00558555  -0.00091958 0.02658249  220 GLN   A CD   
1893 O  OE1  A GLN   A 108 ? 0.14217943 0.37363249 0.20206806 -0.00337393 0.00267166  0.02073648  220 GLN   A OE1  
1894 O  OE1  B GLN   A 108 ? 0.10956985 0.37376630 0.23472881 0.01010361  -0.00869281 0.03047468  220 GLN   A OE1  
1895 N  NE2  A GLN   A 108 ? 0.11028945 0.37156129 0.19838433 -0.01025435 0.00150617  0.01798855  220 GLN   A NE2  
1896 N  NE2  B GLN   A 108 ? 0.09607158 0.37183738 0.23639540 -0.00082035 -0.00451345 0.02676046  220 GLN   A NE2  
1897 H  H    A GLN   A 108 ? 0.02940514 0.33791143 0.16430448 -0.00324141 0.00030192  0.00157606  220 GLN   A H    
1898 H  H    B GLN   A 108 ? 0.02855225 0.34031034 0.16918656 0.00062597  -0.00095891 0.00280241  220 GLN   A H    
1899 H  HA   A GLN   A 108 ? 0.03825867 0.33624792 0.16500628 -0.00549151 -0.00173937 0.00371543  220 GLN   A HA   
1900 H  HA   B GLN   A 108 ? 0.04063756 0.34005457 0.17372631 0.00305534  -0.00203971 0.00604436  220 GLN   A HA   
1901 H  HB2  A GLN   A 108 ? 0.06310814 0.34314644 0.17152105 -0.00897458 -0.00189638 0.00751762  220 GLN   A HB2  
1902 H  HB2  B GLN   A 108 ? 0.06335351 0.34756345 0.18816879 0.00532454  -0.00202974 0.01353398  220 GLN   A HB2  
1903 H  HB3  A GLN   A 108 ? 0.06205973 0.34317923 0.17155948 -0.00882837 -0.00187524 0.00759556  220 GLN   A HB3  
1904 H  HB3  B GLN   A 108 ? 0.06315540 0.34741557 0.18858790 0.00549248  -0.00190404 0.01341304  220 GLN   A HB3  
1905 H  HG2  A GLN   A 108 ? 0.08627668 0.35317516 0.17856573 -0.00828763 -0.00238066 0.01097073  220 GLN   A HG2  
1906 H  HG2  B GLN   A 108 ? 0.07457707 0.35769892 0.20453010 0.00649951  -0.00350046 0.02037121  220 GLN   A HG2  
1907 H  HG3  A GLN   A 108 ? 0.08602245 0.35337442 0.17862007 -0.00858005 -0.00248439 0.01088070  220 GLN   A HG3  
1908 H  HG3  B GLN   A 108 ? 0.07515275 0.35878992 0.20446022 0.00666352  -0.00354149 0.02043894  220 GLN   A HG3  
1909 H  HE21 A GLN   A 108 ? 0.11157760 0.36984849 0.19774005 -0.01074497 0.00176871  0.01747219  220 GLN   A HE21 
1910 H  HE21 B GLN   A 108 ? 0.09574949 0.37118584 0.23453853 0.00000240  -0.00329599 0.02658689  220 GLN   A HE21 
1911 H  HE22 A GLN   A 108 ? 0.11191505 0.37007052 0.19747968 -0.01063947 0.00164245  0.01741890  220 GLN   A HE22 
1912 H  HE22 B GLN   A 108 ? 0.09546318 0.37117141 0.23412643 0.00039123  -0.00362063 0.02676115  220 GLN   A HE22 
1913 N  N    . TYR   A 109 ? 0.01504708 0.32322943 0.16371669 -0.00213317 -0.00287106 0.00727741  221 TYR   A N    
1914 C  CA   . TYR   A 109 ? 0.01482601 0.31792885 0.16230592 -0.00886763 -0.00016198 0.00525636  221 TYR   A CA   
1915 C  C    . TYR   A 109 ? 0.01538133 0.31972426 0.16510430 -0.01113490 -0.00108409 0.00327258  221 TYR   A C    
1916 O  O    . TYR   A 109 ? 0.03237077 0.31423056 0.16962737 -0.00371957 -0.00277490 0.00063816  221 TYR   A O    
1917 C  CB   . TYR   A 109 ? 0.01361921 0.31282943 0.16259049 -0.00847618 0.00146070  0.00434974  221 TYR   A CB   
1918 C  CG   . TYR   A 109 ? 0.01072434 0.31024855 0.16046843 -0.00839789 0.00576364  0.00673414  221 TYR   A CG   
1919 C  CD1  . TYR   A 109 ? 0.01771139 0.30965054 0.15830709 -0.00697415 0.00482780  0.00645871  221 TYR   A CD1  
1920 C  CD2  . TYR   A 109 ? 0.01126490 0.30811000 0.16170438 -0.00489172 0.00486664  0.00775836  221 TYR   A CD2  
1921 C  CE1  . TYR   A 109 ? 0.00829686 0.31027925 0.15520222 -0.00983673 0.00836239  0.00684905  221 TYR   A CE1  
1922 C  CE2  . TYR   A 109 ? 0.01498676 0.31069392 0.15691866 -0.00855532 0.00686197  0.00602732  221 TYR   A CE2  
1923 C  CZ   . TYR   A 109 ? 0.00964453 0.31130445 0.15242887 -0.00885128 0.00873303  0.00837615  221 TYR   A CZ   
1924 O  OH   . TYR   A 109 ? 0.01633951 0.31395811 0.15416153 -0.01373668 0.00942050  0.01206116  221 TYR   A OH   
1925 H  H    . TYR   A 109 ? 0.01797131 0.32351470 0.16432020 -0.00144859 -0.00192254 0.00662066  221 TYR   A H    
1926 H  HA   . TYR   A 109 ? 0.01572128 0.31817621 0.16290030 -0.00810227 -0.00062919 0.00517880  221 TYR   A HA   
1927 H  HB2  . TYR   A 109 ? 0.01354796 0.31260490 0.16209987 -0.00854636 0.00196760  0.00482058  221 TYR   A HB2  
1928 H  HB3  . TYR   A 109 ? 0.01378723 0.31263125 0.16217318 -0.00848581 0.00196872  0.00485348  221 TYR   A HB3  
1929 H  HD1  . TYR   A 109 ? 0.01490854 0.30968362 0.15818527 -0.00774962 0.00552213  0.00671820  221 TYR   A HD1  
1930 H  HD2  . TYR   A 109 ? 0.01180330 0.30807787 0.16056892 -0.00563392 0.00542453  0.00729738  221 TYR   A HD2  
1931 H  HE1  . TYR   A 109 ? 0.01043705 0.31016165 0.15526976 -0.00922280 0.00785750  0.00702243  221 TYR   A HE1  
1932 H  HE2  . TYR   A 109 ? 0.01348750 0.31020570 0.15678041 -0.00801744 0.00678288  0.00664800  221 TYR   A HE2  
1933 H  HH   . TYR   A 109 ? 0.16116400 0.16116400 0.16116400 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1934 N  N    . ASN   A 110 ? 0.01867359 0.32631946 0.17580868 -0.01541737 -0.00451006 0.00244821  222 ASN   A N    
1935 C  CA   . ASN   A 110 ? 0.03199549 0.32958078 0.18623619 -0.02333949 -0.00412229 0.00222458  222 ASN   A CA   
1936 C  C    . ASN   A 110 ? 0.02758662 0.31083649 0.18069153 -0.03126152 -0.00698020 0.00010910  222 ASN   A C    
1937 O  O    . ASN   A 110 ? 0.04963946 0.31196105 0.18012740 -0.02619858 -0.00659276 -0.00099759 222 ASN   A O    
1938 C  CB   . ASN   A 110 ? 0.03111690 0.34765553 0.21070787 -0.02214263 -0.00327190 0.00129550  222 ASN   A CB   
1939 C  CG   . ASN   A 110 ? 0.07641165 0.37741989 0.22756706 -0.02573143 0.00797291  0.01395350  222 ASN   A CG   
1940 O  OD1  . ASN   A 110 ? 0.09716008 0.41511333 0.28255963 -0.00340766 0.02542489  0.00967686  222 ASN   A OD1  
1941 N  ND2  . ASN   A 110 ? 0.05203385 0.39512032 0.23598564 -0.01793131 0.01834911  0.01987245  222 ASN   A ND2  
1942 H  H    . ASN   A 110 ? 0.02032626 0.32526040 0.17543972 -0.01552378 -0.00354324 0.00255391  222 ASN   A H    
1943 H  HA   . ASN   A 110 ? 0.02979179 0.32850397 0.18685789 -0.02343874 -0.00425681 0.00202501  222 ASN   A HA   
1944 H  HB2  . ASN   A 110 ? 0.03785373 0.34748101 0.20770703 -0.02224354 -0.00118404 0.00334370  222 ASN   A HB2  
1945 H  HB3  . ASN   A 110 ? 0.03805571 0.34745675 0.20782103 -0.02243547 -0.00114483 0.00306407  222 ASN   A HB3  
1946 H  HD21 . ASN   A 110 ? 0.05465883 0.38858092 0.23195049 -0.01853756 0.01693468  0.01807760  222 ASN   A HD21 
1947 H  HD22 . ASN   A 110 ? 0.05746495 0.39115864 0.23383433 -0.01936095 0.01690668  0.01876194  222 ASN   A HD22 
1948 N  N    . HIS   A 111 ? 0.02507433 0.30489457 0.16817267 -0.03379062 -0.00769367 0.00150301  223 HIS   A N    
1949 C  CA   . HIS   A 111 ? 0.02578771 0.30311769 0.16651383 -0.04030480 -0.00389949 0.00375974  223 HIS   A CA   
1950 C  C    . HIS   A 111 ? 0.03215452 0.30741227 0.17262177 -0.04174420 -0.00992635 0.00434348  223 HIS   A C    
1951 O  O    . HIS   A 111 ? 0.04005443 0.32283396 0.18688115 -0.05820752 -0.00366842 0.01472632  223 HIS   A O    
1952 C  CB   . HIS   A 111 ? 0.02904211 0.29972696 0.16023609 -0.04183154 0.00140214  0.00295870  223 HIS   A CB   
1953 C  CG   . HIS   A 111 ? 0.02590659 0.29807013 0.15573369 -0.04169977 0.00572547  0.00413237  223 HIS   A CG   
1954 N  ND1  . HIS   A 111 ? 0.03001393 0.29650682 0.15767963 -0.04194010 0.00140047  0.00377946  223 HIS   A ND1  
1955 C  CD2  . HIS   A 111 ? 0.03284191 0.29682976 0.15889491 -0.04092167 0.00678007  0.00379945  223 HIS   A CD2  
1956 C  CE1  . HIS   A 111 ? 0.03539694 0.29788643 0.15806395 -0.03931212 0.00079526  0.00537506  223 HIS   A CE1  
1957 N  NE2  . HIS   A 111 ? 0.03493612 0.29880798 0.15940367 -0.04026701 0.00419227  0.00397901  223 HIS   A NE2  
1958 H  H    . HIS   A 111 ? 0.02630556 0.30524659 0.16991782 -0.03423797 -0.00671534 0.00178218  223 HIS   A H    
1959 H  HA   . HIS   A 111 ? 0.02705788 0.30267477 0.16649403 -0.04037792 -0.00457399 0.00345580  223 HIS   A HA   
1960 H  HB2  . HIS   A 111 ? 0.02850282 0.29957670 0.16030103 -0.04145487 0.00124470  0.00322358  223 HIS   A HB2  
1961 H  HB3  . HIS   A 111 ? 0.02861120 0.29982704 0.16016322 -0.04137685 0.00121044  0.00318825  223 HIS   A HB3  
1962 H  HD1  . HIS   A 111 ? 0.16063206 0.16063206 0.16063206 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1963 H  HD2  . HIS   A 111 ? 0.03262774 0.29692185 0.15841845 -0.04095938 0.00604909  0.00388590  223 HIS   A HD2  
1964 H  HE1  . HIS   A 111 ? 0.03556886 0.29762965 0.15810025 -0.03975081 0.00146675  0.00486496  223 HIS   A HE1  
1965 H  HE2  . HIS   A 111 ? 0.16810450 0.16810450 0.16810450 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1966 N  N    . ARG   A 112 ? 0.02670038 0.30790138 0.16342255 -0.03672913 -0.01178389 0.00378921  224 ARG   A N    
1967 C  CA   . ARG   A 112 ? 0.03348830 0.31107748 0.16698368 -0.03124481 -0.01696997 0.00206459  224 ARG   A CA   
1968 C  C    . ARG   A 112 ? 0.05372220 0.31604654 0.17021263 -0.02787740 -0.01684333 -0.00001517 224 ARG   A C    
1969 O  O    . ARG   A 112 ? 0.07401041 0.32542574 0.18329957 -0.02945594 -0.02247965 -0.00920501 224 ARG   A O    
1970 C  CB   . ARG   A 112 ? 0.02855034 0.31149924 0.16500886 -0.02346205 -0.01698560 0.00196759  224 ARG   A CB   
1971 C  CG   . ARG   A 112 ? 0.02793166 0.31261694 0.17188162 -0.01906400 -0.01144601 0.00326513  224 ARG   A CG   
1972 C  CD   . ARG   A 112 ? 0.02778124 0.31247002 0.17758217 -0.01388946 -0.00608515 0.00036660  224 ARG   A CD   
1973 N  NE   . ARG   A 112 ? 0.01990242 0.31240475 0.18051019 -0.01165882 -0.00230851 0.00193190  224 ARG   A NE   
1974 C  CZ   . ARG   A 112 ? 0.01349588 0.31386179 0.18765758 -0.00529149 -0.00651153 0.00344648  224 ARG   A CZ   
1975 N  NH1  . ARG   A 112 ? 0.01815321 0.31387073 0.19275479 -0.00482396 -0.00635513 0.00476421  224 ARG   A NH1  
1976 N  NH2  . ARG   A 112 ? 0.03102735 0.31479788 0.18974786 -0.00559174 -0.00534397 0.00242574  224 ARG   A NH2  
1977 H  H    . ARG   A 112 ? 0.02870583 0.30761003 0.16546801 -0.03706162 -0.01232319 0.00335812  224 ARG   A H    
1978 H  HA   . ARG   A 112 ? 0.03419283 0.31071556 0.16665065 -0.03153649 -0.01593975 0.00213226  224 ARG   A HA   
1979 H  HB2  . ARG   A 112 ? 0.02976861 0.31097186 0.16608085 -0.02445848 -0.01614681 0.00222798  224 ARG   A HB2  
1980 H  HB3  . ARG   A 112 ? 0.02961240 0.31120723 0.16509922 -0.02399450 -0.01658485 0.00235586  224 ARG   A HB3  
1981 H  HG2  . ARG   A 112 ? 0.02833192 0.31208026 0.17136227 -0.01912398 -0.01130823 0.00269878  224 ARG   A HG2  
1982 H  HG3  . ARG   A 112 ? 0.02832579 0.31224447 0.17136434 -0.01898893 -0.01126510 0.00266208  224 ARG   A HG3  
1983 H  HD2  . ARG   A 112 ? 0.02757879 0.31251222 0.17687728 -0.01375555 -0.00629614 0.00092726  224 ARG   A HD2  
1984 H  HD3  . ARG   A 112 ? 0.02770433 0.31270903 0.17747584 -0.01412454 -0.00604306 0.00100879  224 ARG   A HD3  
1985 H  HE   . ARG   A 112 ? 0.02077568 0.31238174 0.18069172 -0.01085490 -0.00359146 0.00229188  224 ARG   A HE   
1986 H  HH11 . ARG   A 112 ? 0.01785104 0.31366181 0.19146943 -0.00516090 -0.00649966 0.00455164  224 ARG   A HH11 
1987 H  HH12 . ARG   A 112 ? 0.01811339 0.31423396 0.19186305 -0.00535821 -0.00661499 0.00468302  224 ARG   A HH12 
1988 H  HH21 . ARG   A 112 ? 0.02682925 0.31456143 0.18924981 -0.00536697 -0.00527891 0.00265130  224 ARG   A HH21 
1989 H  HH22 . ARG   A 112 ? 0.02688533 0.31456375 0.18940379 -0.00540330 -0.00534529 0.00246971  224 ARG   A HH22 
1990 N  N    . VAL   A 113 ? 0.05520539 0.31824565 0.17565721 -0.02996197 -0.00138071 -0.00364559 225 VAL   A N    
1991 C  CA   . VAL   A 113 ? 0.06345735 0.32023942 0.17753671 -0.02883914 0.00234841  -0.00393414 225 VAL   A CA   
1992 C  C    . VAL   A 113 ? 0.07642663 0.32625836 0.18120265 -0.02894146 0.00248231  -0.00403714 225 VAL   A C    
1993 O  O    . VAL   A 113 ? 0.10379451 0.33518553 0.17815702 -0.01908001 -0.00282814 -0.00395099 225 VAL   A O    
1994 C  CB   . VAL   A 113 ? 0.06737493 0.31798416 0.18045649 -0.02824756 0.00942724  -0.00143218 225 VAL   A CB   
1995 C  CG1  . VAL   A 113 ? 0.07803333 0.31831646 0.18029192 -0.02365062 0.01330123  -0.00147237 225 VAL   A CG1  
1996 C  CG2  . VAL   A 113 ? 0.07598111 0.31802338 0.18251821 -0.02733021 0.01130732  -0.00210967 225 VAL   A CG2  
1997 H  H    . VAL   A 113 ? 0.05653825 0.31787962 0.17486307 -0.02934425 -0.00352350 -0.00277091 225 VAL   A H    
1998 H  HA   . VAL   A 113 ? 0.06490961 0.32032204 0.17763925 -0.02908923 0.00217766  -0.00362368 225 VAL   A HA   
1999 H  HB   . VAL   A 113 ? 0.06938409 0.31822819 0.18027933 -0.02745076 0.00925601  -0.00188070 225 VAL   A HB   
2000 H  HG11 . VAL   A 113 ? 0.07648540 0.31797451 0.18053688 -0.02440461 0.01294737  -0.00130414 225 VAL   A HG11 
2001 H  HG12 . VAL   A 113 ? 0.07643571 0.31797427 0.18030636 -0.02447260 0.01273963  -0.00144674 225 VAL   A HG12 
2002 H  HG13 . VAL   A 113 ? 0.07759979 0.31818897 0.18029623 -0.02390809 0.01265187  -0.00147945 225 VAL   A HG13 
2003 H  HG21 . VAL   A 113 ? 0.07560575 0.31728452 0.18179287 -0.02704715 0.01085333  -0.00192173 225 VAL   A HG21 
2004 H  HG22 . VAL   A 113 ? 0.07502325 0.31751114 0.18201849 -0.02742139 0.01085199  -0.00185520 225 VAL   A HG22 
2005 H  HG23 . VAL   A 113 ? 0.07508922 0.31750727 0.18234314 -0.02733433 0.01113281  -0.00182132 225 VAL   A HG23 
2006 N  N    . LYS   A 114 ? 0.09189951 0.33329678 0.19677718 -0.03491903 0.00276969  -0.00472570 226 LYS   A N    
2007 C  CA   . LYS   A 114 ? 0.10118094 0.34119779 0.21374387 -0.03994358 0.00656414  0.00157532  226 LYS   A CA   
2008 C  C    . LYS   A 114 ? 0.09916234 0.34045458 0.22016215 -0.04377164 0.01777446  0.00478851  226 LYS   A C    
2009 O  O    . LYS   A 114 ? 0.10538640 0.34583205 0.23823576 -0.03910265 0.03835603  0.01843415  226 LYS   A O    
2010 C  CB   . LYS   A 114 ? 0.10860372 0.35259378 0.22138366 -0.04386129 -0.00392773 0.00542552  226 LYS   A CB   
2011 C  CG   . LYS   A 114 ? 0.10953167 0.36459863 0.22906448 -0.04413977 -0.01497337 0.01089112  226 LYS   A CG   
2012 C  CD   . LYS   A 114 ? 0.12300682 0.37732381 0.22661196 -0.04680008 -0.02318766 0.01366836  226 LYS   A CD   
2013 C  CE   . LYS   A 114 ? 0.11125105 0.38548082 0.21494471 -0.05578522 -0.02598104 0.02034279  226 LYS   A CE   
2014 N  NZ   . LYS   A 114 ? 0.10588307 0.39474231 0.21001934 -0.06483427 -0.02777812 0.02468153  226 LYS   A NZ   
2015 H  H    . LYS   A 114 ? 0.09021038 0.33301473 0.19663720 -0.03465834 0.00336013  -0.00364106 226 LYS   A H    
2016 H  HA   . LYS   A 114 ? 0.10096072 0.34120274 0.21304014 -0.04008262 0.00592113  0.00145667  226 LYS   A HA   
2017 H  HB2  . LYS   A 114 ? 0.10746411 0.35211325 0.22149263 -0.04304074 -0.00388549 0.00573129  226 LYS   A HB2  
2018 H  HB3  . LYS   A 114 ? 0.10750002 0.35223001 0.22142050 -0.04301970 -0.00394826 0.00565508  226 LYS   A HB3  
2019 H  HG2  . LYS   A 114 ? 0.11182468 0.36427224 0.22721793 -0.04439211 -0.01443609 0.01024961  226 LYS   A HG2  
2020 H  HG3  . LYS   A 114 ? 0.11201525 0.36438936 0.22741233 -0.04457622 -0.01472153 0.01040453  226 LYS   A HG3  
2021 H  HD2  . LYS   A 114 ? 0.11900768 0.37718809 0.22567588 -0.04726905 -0.02237388 0.01412041  226 LYS   A HD2  
2022 H  HD3  . LYS   A 114 ? 0.11931375 0.37681967 0.22554201 -0.04680634 -0.02192178 0.01457503  226 LYS   A HD3  
2023 H  HE2  . LYS   A 114 ? 0.11235689 0.38545382 0.21537821 -0.05569848 -0.02600231 0.02027786  226 LYS   A HE2  
2024 H  HE3  . LYS   A 114 ? 0.11239279 0.38561380 0.21532896 -0.05603088 -0.02614298 0.02024676  226 LYS   A HE3  
2025 H  HZ1  . LYS   A 114 ? 0.10759333 0.39296311 0.21061946 -0.06369478 -0.02764214 0.02381293  226 LYS   A HZ1  
2026 H  HZ2  . LYS   A 114 ? 0.10786878 0.39332175 0.21078195 -0.06318830 -0.02735990 0.02408823  226 LYS   A HZ2  
2027 H  HZ3  . LYS   A 114 ? 0.10789796 0.39318222 0.21080804 -0.06318617 -0.02739294 0.02401142  226 LYS   A HZ3  
2028 N  N    . LYS   A 115 ? 0.09799135 0.33015496 0.22025098 -0.04664540 0.02021679  0.00043404  227 LYS   A N    
2029 C  CA   . LYS   A 115 ? 0.10435098 0.32930857 0.22049588 -0.04396122 0.02575294  -0.00358943 227 LYS   A CA   
2030 C  C    . LYS   A 115 ? 0.08715809 0.31299049 0.20925573 -0.04008354 0.04021229  -0.00623526 227 LYS   A C    
2031 O  O    . LYS   A 115 ? 0.08031508 0.31745070 0.21448798 -0.03374614 0.05054007  -0.00257760 227 LYS   A O    
2032 C  CB   . LYS   A 115 ? 0.12725268 0.34552491 0.22527646 -0.04638492 0.02421748  -0.00338186 227 LYS   A CB   
2033 C  CG   . LYS   A 115 ? 0.13802637 0.36069185 0.24433355 -0.05136219 0.01440697  -0.00706786 227 LYS   A CG   
2034 H  H    . LYS   A 115 ? 0.09967300 0.33157557 0.21969520 -0.04567066 0.02015134  0.00066662  227 LYS   A H    
2035 H  HA   . LYS   A 115 ? 0.10353807 0.32887542 0.21924663 -0.04375017 0.02706080  -0.00312918 227 LYS   A HA   
2036 H  HB2  . LYS   A 115 ? 0.12542817 0.34524268 0.22722179 -0.04655107 0.02340007  -0.00359152 227 LYS   A HB2  
2037 H  HB3  . LYS   A 115 ? 0.12663560 0.34497738 0.22713640 -0.04666709 0.02354810  -0.00358396 227 LYS   A HB3  
2038 H  HG2  . LYS   A 115 ? 0.13670371 0.35968310 0.24023399 -0.05092908 0.01702253  -0.00629636 227 LYS   A HG2  
2039 H  HG3  . LYS   A 115 ? 0.30549601 0.30549601 0.30549601 0.00000000  0.00000000  0.00000000  227 LYS   A HG3  
2040 N  N    . LEU   A 116 ? 0.08148570 0.30713665 0.20556042 -0.03342679 0.04610131  -0.00843928 228 LEU   A N    
2041 C  CA   . LEU   A 116 ? 0.08290075 0.29995394 0.19771323 -0.02222749 0.04479424  -0.01056786 228 LEU   A CA   
2042 C  C    . LEU   A 116 ? 0.09081364 0.29774982 0.20405364 -0.01290574 0.05093970  -0.00781366 228 LEU   A C    
2043 O  O    . LEU   A 116 ? 0.07779609 0.29286766 0.20381241 -0.00289216 0.04794744  -0.00662668 228 LEU   A O    
2044 C  CB   . LEU   A 116 ? 0.06920369 0.30936939 0.18535158 -0.02608519 0.04425656  -0.02144140 228 LEU   A CB   
2045 C  CG   . LEU   A 116 ? 0.06308725 0.31667870 0.19640361 -0.02857613 0.04425241  -0.01490353 228 LEU   A CG   
2046 C  CD1  . LEU   A 116 ? 0.06368593 0.31855667 0.19603835 -0.03157363 0.04501247  -0.01515493 228 LEU   A CD1  
2047 C  CD2  . LEU   A 116 ? 0.07624284 0.31810069 0.19786991 -0.02874635 0.04327375  -0.01351188 228 LEU   A CD2  
2048 H  H    . LEU   A 116 ? 0.08282870 0.30661714 0.20467930 -0.03366163 0.04476254  -0.00805122 228 LEU   A H    
2049 H  HA   . LEU   A 116 ? 0.08159111 0.30091053 0.19749822 -0.02227222 0.04560411  -0.01128205 228 LEU   A HA   
2050 H  HB2  . LEU   A 116 ? 0.07103413 0.30890173 0.18823342 -0.02596118 0.04413455  -0.01889376 228 LEU   A HB2  
2051 H  HB3  . LEU   A 116 ? 0.06998812 0.30891085 0.18756552 -0.02620316 0.04325948  -0.01900324 228 LEU   A HB3  
2052 H  HG   . LEU   A 116 ? 0.06535381 0.31606710 0.19494605 -0.02860968 0.04408117  -0.01552726 228 LEU   A HG   
2053 H  HD11 . LEU   A 116 ? 0.06434447 0.31833482 0.19577266 -0.03113323 0.04495642  -0.01515557 228 LEU   A HD11 
2054 H  HD12 . LEU   A 116 ? 0.06458811 0.31816810 0.19555801 -0.03102623 0.04529191  -0.01523675 228 LEU   A HD12 
2055 H  HD13 . LEU   A 116 ? 0.06431009 0.31810534 0.19563718 -0.03123926 0.04482440  -0.01524488 228 LEU   A HD13 
2056 H  HD21 . LEU   A 116 ? 0.07500026 0.31755781 0.19758284 -0.02849508 0.04371391  -0.01369863 228 LEU   A HD21 
2057 H  HD22 . LEU   A 116 ? 0.07529344 0.31772876 0.19756322 -0.02845985 0.04378717  -0.01363213 228 LEU   A HD22 
2058 H  HD23 . LEU   A 116 ? 0.07643246 0.31759536 0.19741464 -0.02866100 0.04335106  -0.01357549 228 LEU   A HD23 
2059 N  N    . ASN   A 117 ? 0.12071323 0.29594046 0.22545122 -0.00711841 0.05634948  -0.00628278 229 ASN   A N    
2060 C  CA   . ASN   A 117 ? 0.13448890 0.29941881 0.23879677 0.00151537  0.06496606  -0.00895867 229 ASN   A CA   
2061 C  C    . ASN   A 117 ? 0.13244238 0.29629254 0.23439550 0.00656686  0.05865138  -0.00444631 229 ASN   A C    
2062 O  O    . ASN   A 117 ? 0.14345254 0.30840117 0.25276792 0.01674983  0.07106112  0.00342079  229 ASN   A O    
2063 C  CB   . ASN   A 117 ? 0.18256225 0.30455858 0.27215362 0.00415394  0.06536597  -0.01028214 229 ASN   A CB   
2064 C  CG   . ASN   A 117 ? 0.21456039 0.31378311 0.30074716 -0.00293346 0.05395582  -0.01763788 229 ASN   A CG   
2065 O  OD1  . ASN   A 117 ? 0.24651371 0.31586188 0.32121122 -0.00499828 0.04265758  -0.01415008 229 ASN   A OD1  
2066 N  ND2  . ASN   A 117 ? 0.25510728 0.32154572 0.33061707 0.00140022  0.05224689  -0.02486505 229 ASN   A ND2  
2067 H  H    . ASN   A 117 ? 0.11711802 0.29724437 0.22298437 -0.00632467 0.05715779  -0.00670432 229 ASN   A H    
2068 H  HA   . ASN   A 117 ? 0.13667035 0.29950863 0.23922221 0.00161495  0.06298005  -0.00752109 229 ASN   A HA   
2069 H  HB2  . ASN   A 117 ? 0.18114507 0.30493313 0.27003014 0.00296763  0.06405748  -0.01097552 229 ASN   A HB2  
2070 H  HB3  . ASN   A 117 ? 0.17882971 0.30506110 0.27062762 0.00329284  0.06395587  -0.01113594 229 ASN   A HB3  
2071 H  HD21 . ASN   A 117 ? 0.24736412 0.32059062 0.32492447 -0.00014063 0.05477461  -0.02400369 229 ASN   A HD21 
2072 H  HD22 . ASN   A 117 ? 0.24699999 0.32010496 0.32613784 0.00104790  0.05452288  -0.02269498 229 ASN   A HD22 
2073 N  N    . GLU   A 118 ? 0.11318355 0.29469377 0.20490088 0.00149298  0.04949711  -0.00686090 230 GLU   A N    
2074 C  CA   . GLU   A 118 ? 0.10196921 0.29222405 0.18812908 0.00039932  0.04142670  -0.01141652 230 GLU   A CA   
2075 C  C    . GLU   A 118 ? 0.06805511 0.28714961 0.17033879 0.00549675  0.02622876  -0.00675160 230 GLU   A C    
2076 O  O    . GLU   A 118 ? 0.05233685 0.28774542 0.16171277 0.00370400  0.02162250  -0.00657234 230 GLU   A O    
2077 C  CB   . GLU   A 118 ? 0.10568745 0.30062538 0.19014272 -0.00672204 0.04348291  -0.01485438 230 GLU   A CB   
2078 C  CG   . GLU   A 118 ? 0.13846351 0.30802935 0.20843734 -0.01435748 0.04341666  -0.02032585 230 GLU   A CG   
2079 C  CD   . GLU   A 118 ? 0.16196425 0.32362801 0.21246471 -0.01829673 0.04055759  -0.02998623 230 GLU   A CD   
2080 O  OE1  . GLU   A 118 ? 0.18510136 0.33372593 0.21324204 -0.01477765 0.02848701  -0.03373628 230 GLU   A OE1  
2081 O  OE2  . GLU   A 118 ? 0.20689765 0.33840942 0.24466781 -0.02221244 0.04644719  -0.04242308 230 GLU   A OE2  
2082 H  H    . GLU   A 118 ? 0.11379723 0.29420930 0.20561659 0.00228363  0.04979018  -0.00719965 230 GLU   A H    
2083 H  HA   . GLU   A 118 ? 0.10064644 0.29278570 0.18757454 0.00017262  0.04047741  -0.01032527 230 GLU   A HA   
2084 H  HB2  . GLU   A 118 ? 0.10719044 0.30014652 0.19214806 -0.00605773 0.04466033  -0.01502107 230 GLU   A HB2  
2085 H  HB3  . GLU   A 118 ? 0.10907884 0.29993582 0.19203198 -0.00643521 0.04356949  -0.01468646 230 GLU   A HB3  
2086 H  HG2  . GLU   A 118 ? 0.13845888 0.30890089 0.20569862 -0.01376097 0.04306725  -0.02072530 230 GLU   A HG2  
2087 H  HG3  . GLU   A 118 ? 0.13706087 0.30879498 0.20567206 -0.01362383 0.04317419  -0.02076321 230 GLU   A HG3  
2088 N  N    . ILE   A 119 ? 0.05155548 0.28284150 0.16485837 0.01010753  0.01932131  -0.00279380 231 ILE   A N    
2089 C  CA   . ILE   A 119 ? 0.05261997 0.28228122 0.15898165 0.01341905  0.01083229  -0.00252672 231 ILE   A CA   
2090 C  C    . ILE   A 119 ? 0.05545926 0.28809583 0.16026706 0.01940231  0.00233045  -0.00599678 231 ILE   A C    
2091 O  O    . ILE   A 119 ? 0.05896406 0.29937166 0.16111256 0.02728233  0.00494454  0.00158592  231 ILE   A O    
2092 C  CB   . ILE   A 119 ? 0.06794230 0.28432000 0.15595959 0.01339064  0.01356042  -0.00325076 231 ILE   A CB   
2093 C  CG1  . ILE   A 119 ? 0.06676223 0.28216404 0.15675290 0.01288969  0.01568129  -0.00313330 231 ILE   A CG1  
2094 C  CG2  . ILE   A 119 ? 0.07448584 0.28433466 0.15866868 0.01400761  0.01404761  -0.00465270 231 ILE   A CG2  
2095 C  CD1  . ILE   A 119 ? 0.06623748 0.28641379 0.15683225 0.01323950  0.01585169  -0.00197686 231 ILE   A CD1  
2096 H  H    . ILE   A 119 ? 0.05627405 0.28307766 0.16494517 0.00952395  0.01973197  -0.00320234 231 ILE   A H    
2097 H  HA   . ILE   A 119 ? 0.05536012 0.28285307 0.15942101 0.01373020  0.01123679  -0.00272753 231 ILE   A HA   
2098 H  HB   . ILE   A 119 ? 0.06656811 0.28365141 0.15658209 0.01350684  0.01352553  -0.00325586 231 ILE   A HB   
2099 H  HG12 . ILE   A 119 ? 0.06731401 0.28264219 0.15659924 0.01297696  0.01552245  -0.00295945 231 ILE   A HG12 
2100 H  HG13 . ILE   A 119 ? 0.06721573 0.28253502 0.15669900 0.01288398  0.01559692  -0.00304065 231 ILE   A HG13 
2101 H  HG21 . ILE   A 119 ? 0.07383157 0.28416264 0.15814760 0.01397664  0.01368355  -0.00442547 231 ILE   A HG21 
2102 H  HG22 . ILE   A 119 ? 0.07378186 0.28416061 0.15813300 0.01398339  0.01392389  -0.00460122 231 ILE   A HG22 
2103 H  HG23 . ILE   A 119 ? 0.07463188 0.28413254 0.15806761 0.01409652  0.01386988  -0.00444440 231 ILE   A HG23 
2104 H  HD11 . ILE   A 119 ? 0.06669729 0.28551334 0.15704170 0.01296737  0.01605349  -0.00213349 231 ILE   A HD11 
2105 H  HD12 . ILE   A 119 ? 0.06661001 0.28541285 0.15676151 0.01308626  0.01576578  -0.00210348 231 ILE   A HD12 
2106 H  HD13 . ILE   A 119 ? 0.06668213 0.28559005 0.15691964 0.01316485  0.01588732  -0.00195509 231 ILE   A HD13 
2107 N  N    . SER   A 120 ? 0.04014611 0.28735614 0.16270617 0.01992993  -0.00566438 -0.00826477 232 SER   A N    
2108 C  CA   . SER   A 120 ? 0.04045696 0.29034537 0.17472012 0.02015328  -0.00977730 -0.01483347 232 SER   A CA   
2109 C  C    . SER   A 120 ? 0.03385997 0.29554176 0.17870228 0.01743402  -0.00527803 -0.01999509 232 SER   A C    
2110 O  O    . SER   A 120 ? 0.03309099 0.30330092 0.18514268 0.01787108  -0.00376537 -0.02353999 232 SER   A O    
2111 C  CB   . SER   A 120 ? 0.05991089 0.29257786 0.18034476 0.02069449  -0.01207331 -0.01905623 232 SER   A CB   
2112 O  OG   . SER   A 120 ? 0.06729896 0.29967630 0.19178051 0.01889440  -0.02019312 -0.02175447 232 SER   A OG   
2113 H  H    . SER   A 120 ? 0.04320416 0.28744113 0.16332230 0.02001672  -0.00506972 -0.00821311 232 SER   A H    
2114 H  HA   . SER   A 120 ? 0.04238734 0.29109025 0.17389537 0.02025248  -0.00867328 -0.01487241 232 SER   A HA   
2115 H  HB2  . SER   A 120 ? 0.05877840 0.29299134 0.18116832 0.02065875  -0.01307462 -0.01880783 232 SER   A HB2  
2116 H  HB3  . SER   A 120 ? 0.06023693 0.29306030 0.18129146 0.02087385  -0.01307667 -0.01884161 232 SER   A HB3  
2117 H  HG   . SER   A 120 ? 0.19809556 0.19809556 0.19809556 0.00000000  0.00000000  0.00000000  232 SER   A HG   
2118 N  N    A LYS   A 121 ? 0.03118917 0.29532951 0.18186453 0.01164469  0.00295870  -0.02275094 233 LYS   A N    
2119 N  N    B LYS   A 121 ? 0.04117272 0.29880285 0.18467872 0.01605588  0.00087617  -0.02246674 233 LYS   A N    
2120 C  CA   A LYS   A 121 ? 0.03701644 0.29682964 0.18922769 0.01162277  0.00346824  -0.02605467 233 LYS   A CA   
2121 C  CA   B LYS   A 121 ? 0.05252763 0.30124509 0.19277421 0.01577536  0.00108287  -0.02589227 233 LYS   A CA   
2122 C  C    A LYS   A 121 ? 0.01973805 0.29259431 0.19111647 0.01300711  0.00225516  -0.02368791 233 LYS   A C    
2123 C  C    B LYS   A 121 ? 0.03165365 0.29638392 0.19179104 0.01591031  -0.00179145 -0.02418587 233 LYS   A C    
2124 O  O    A LYS   A 121 ? 0.01960163 0.28927845 0.18864498 0.01625691  0.00094422  -0.02285964 233 LYS   A O    
2125 O  O    B LYS   A 121 ? 0.03304139 0.29463112 0.18767600 0.01836203  -0.00698629 -0.02404291 233 LYS   A O    
2126 C  CB   A LYS   A 121 ? 0.04863633 0.30379045 0.19882663 0.00476788  0.01054635  -0.02372937 233 LYS   A CB   
2127 C  CB   B LYS   A 121 ? 0.07384451 0.31336755 0.20159727 0.01363865  0.00921835  -0.02164737 233 LYS   A CB   
2128 C  CG   A LYS   A 121 ? 0.05770104 0.31050724 0.20482472 0.00773569  0.01403521  -0.02560971 233 LYS   A CG   
2129 C  CG   B LYS   A 121 ? 0.08699937 0.31923163 0.21664903 0.00930062  0.01033622  -0.01898484 233 LYS   A CG   
2130 C  CD   . LYS   A 121 ? 0.09865864 0.32425207 0.22141199 0.00820799  0.01556798  -0.01578776 233 LYS   A CD   
2131 H  H    A LYS   A 121 ? 0.03166942 0.29519200 0.18182062 0.01296041  0.00148124  -0.02249531 233 LYS   A H    
2132 H  H    B LYS   A 121 ? 0.04125191 0.29830718 0.18413122 0.01641546  0.00053170  -0.02219830 233 LYS   A H    
2133 H  HA   A LYS   A 121 ? 0.03615284 0.29663157 0.18942758 0.01100121  0.00412310  -0.02512890 233 LYS   A HA   
2134 H  HA   B LYS   A 121 ? 0.05208016 0.30118549 0.19240747 0.01569048  0.00179809  -0.02471333 233 LYS   A HA   
2135 H  HB2  A LYS   A 121 ? 0.04893265 0.30333108 0.19800185 0.00600348  0.01064667  -0.02441662 233 LYS   A HB2  
2136 H  HB2  B LYS   A 121 ? 0.07268504 0.31224972 0.20204966 0.01353415  0.00837362  -0.02167180 233 LYS   A HB2  
2137 H  HB3  A LYS   A 121 ? 0.04835407 0.30341095 0.19799905 0.00611308  0.01034432  -0.02432043 233 LYS   A HB3  
2138 H  HB3  B LYS   A 121 ? 0.07392236 0.31224847 0.20200621 0.01338846  0.00844670  -0.02181565 233 LYS   A HB3  
2139 H  HG2  A LYS   A 121 ? 0.06057266 0.31084877 0.20581816 0.00800896  0.01352122  -0.02356178 233 LYS   A HG2  
2140 H  HG2  B LYS   A 121 ? 0.08845049 0.32001609 0.21543805 0.00984316  0.01132353  -0.01882575 233 LYS   A HG2  
2141 H  HG3  A LYS   A 121 ? 0.06103896 0.31050628 0.20562667 0.00723236  0.01361064  -0.02434961 233 LYS   A HG3  
2142 H  HG3  B LYS   A 121 ? 0.08786311 0.31923342 0.21497308 0.00993576  0.01102877  -0.01878695 233 LYS   A HG3  
2143 H  HD2  . LYS   A 121 ? 0.09260187 0.32161385 0.21915679 0.00758699  0.01719389  -0.01798834 233 LYS   A HD2  
2144 H  HD3  . LYS   A 121 ? 0.26772854 0.26772854 0.26772854 0.00000000  0.00000000  0.00000000  233 LYS   A HD3  
2145 N  N    . LEU   A 122 ? 0.01975219 0.29326522 0.19414908 0.01335438  0.00013614  -0.02491526 234 LEU   A N    
2146 C  CA   . LEU   A 122 ? 0.02355435 0.29525054 0.19499183 0.01251161  -0.00778146 -0.02695178 234 LEU   A CA   
2147 C  C    . LEU   A 122 ? 0.00714777 0.29718053 0.19719227 0.00674683  -0.01181639 -0.02998497 234 LEU   A C    
2148 O  O    . LEU   A 122 ? 0.00683209 0.30877781 0.21914597 0.00953865  -0.00728338 -0.02585743 234 LEU   A O    
2149 C  CB   . LEU   A 122 ? 0.03803728 0.30278707 0.19892596 0.00969572  -0.01791840 -0.02491780 234 LEU   A CB   
2150 C  CG   . LEU   A 122 ? 0.05446552 0.31013441 0.19600797 0.00892300  -0.02100385 -0.02550472 234 LEU   A CG   
2151 C  CD1  . LEU   A 122 ? 0.05527475 0.31209588 0.20063074 0.01037140  -0.02241639 -0.02738666 234 LEU   A CD1  
2152 C  CD2  . LEU   A 122 ? 0.07122235 0.31878543 0.19761151 0.00975720  -0.02977002 -0.02366106 234 LEU   A CD2  
2153 H  H    . LEU   A 122 ? 0.02060878 0.29347378 0.19345883 0.01413867  -0.00119243 -0.02491408 234 LEU   A H    
2154 H  HA   . LEU   A 122 ? 0.02388519 0.29600698 0.19520916 0.01190216  -0.00878161 -0.02662408 234 LEU   A HA   
2155 H  HB2  . LEU   A 122 ? 0.03841461 0.30223972 0.19773218 0.01026839  -0.01668983 -0.02530597 234 LEU   A HB2  
2156 H  HB3  . LEU   A 122 ? 0.03855609 0.30231267 0.19794084 0.01063338  -0.01696532 -0.02536462 234 LEU   A HB3  
2157 H  HG   . LEU   A 122 ? 0.05419953 0.31009036 0.19704978 0.00928326  -0.02167033 -0.02526036 234 LEU   A HG   
2158 H  HD11 . LEU   A 122 ? 0.05515591 0.31145954 0.19994807 0.01005213  -0.02187869 -0.02728216 234 LEU   A HD11 
2159 H  HD12 . LEU   A 122 ? 0.05539088 0.31157094 0.19973403 0.00997952  -0.02184795 -0.02693596 234 LEU   A HD12 
2160 H  HD13 . LEU   A 122 ? 0.05555950 0.31170928 0.19956981 0.01025550  -0.02197958 -0.02704021 234 LEU   A HD13 
2161 H  HD21 . LEU   A 122 ? 0.07103181 0.31726623 0.19737171 0.00984182  -0.02826415 -0.02386359 234 LEU   A HD21 
2162 H  HD22 . LEU   A 122 ? 0.06878775 0.31779426 0.19763982 0.01023082  -0.02816766 -0.02388743 234 LEU   A HD22 
2163 H  HD23 . LEU   A 122 ? 0.06857473 0.31761062 0.19769587 0.00978105  -0.02839750 -0.02349314 234 LEU   A HD23 
2164 N  N    . GLY   A 123 ? 0.00736313 0.29426783 0.18590227 0.00174321  -0.00737529 -0.02980277 235 GLY   A N    
2165 C  CA   . GLY   A 123 ? 0.00855358 0.29644221 0.18665889 0.00367593  -0.00122663 -0.03127080 235 GLY   A CA   
2166 C  C    . GLY   A 123 ? 0.00633547 0.30314386 0.18769062 0.00071345  0.00037090  -0.03322058 235 GLY   A C    
2167 O  O    . GLY   A 123 ? 0.00691792 0.30622655 0.20197411 -0.00154082 0.01069299  -0.03739660 235 GLY   A O    
2168 H  H    . GLY   A 123 ? 0.00849757 0.29496390 0.18714701 0.00238488  -0.00924237 -0.03021396 235 GLY   A H    
2169 H  HA2  . GLY   A 123 ? 0.00913262 0.29701293 0.18645018 0.00308287  -0.00002301 -0.03133912 235 GLY   A HA2  
2170 H  HA3  . GLY   A 123 ? 0.00664513 0.29767096 0.18669103 0.00276570  -0.00153936 -0.03130121 235 GLY   A HA3  
2171 N  N    . ILE   A 124 ? 0.00647426 0.30457276 0.20206712 0.00043385  -0.00524974 -0.03473094 236 ILE   A N    
2172 C  CA   . ILE   A 124 ? 0.00642811 0.30890512 0.20829014 0.00420411  0.00223763  -0.03402120 236 ILE   A CA   
2173 C  C    . ILE   A 124 ? 0.00688705 0.30890089 0.21820377 0.00381427  0.00986082  -0.03258036 236 ILE   A C    
2174 O  O    . ILE   A 124 ? 0.00809224 0.31399930 0.23396386 0.00435081  0.01895780  -0.03645079 236 ILE   A O    
2175 C  CB   . ILE   A 124 ? 0.01076993 0.31619608 0.21723723 0.00556619  -0.00376112 -0.02883890 236 ILE   A CB   
2176 C  CG1  . ILE   A 124 ? 0.03017617 0.31949830 0.22616431 0.00572270  0.00089828  -0.02765322 236 ILE   A CG1  
2177 C  CG2  . ILE   A 124 ? 0.00946504 0.31985497 0.21866535 0.00442768  0.00513472  -0.02825573 236 ILE   A CG2  
2178 C  CD1  . ILE   A 124 ? 0.05316540 0.32390052 0.22940493 0.00917847  -0.00550193 -0.02312165 236 ILE   A CD1  
2179 H  H    . ILE   A 124 ? 0.00642898 0.30453736 0.20042308 0.00107774  -0.00431708 -0.03425120 236 ILE   A H    
2180 H  HA   . ILE   A 124 ? 0.00643680 0.30883294 0.20850232 0.00353253  0.00314636  -0.03324169 236 ILE   A HA   
2181 H  HB   . ILE   A 124 ? 0.01259738 0.31590611 0.21720301 0.00534489  -0.00151060 -0.02935387 236 ILE   A HB   
2182 H  HG12 . ILE   A 124 ? 0.03024784 0.31936347 0.22447065 0.00624938  0.00020816  -0.02675072 236 ILE   A HG12 
2183 H  HG13 . ILE   A 124 ? 0.02979920 0.31928188 0.22496320 0.00636692  -0.00055302 -0.02684402 236 ILE   A HG13 
2184 H  HG21 . ILE   A 124 ? 0.01090917 0.31906092 0.21835093 0.00447425  0.00414116  -0.02850439 236 ILE   A HG21 
2185 H  HG22 . ILE   A 124 ? 0.01021087 0.31894958 0.21750110 0.00455540  0.00561081  -0.02839056 236 ILE   A HG22 
2186 H  HG23 . ILE   A 124 ? 0.01056056 0.31913024 0.21790758 0.00460828  0.00402014  -0.02837848 236 ILE   A HG23 
2187 H  HD11 . ILE   A 124 ? 0.05226185 0.32317710 0.22968483 0.00880353  -0.00546956 -0.02395846 236 ILE   A HD11 
2188 H  HD12 . ILE   A 124 ? 0.04906731 0.32334840 0.22894880 0.00873410  -0.00439298 -0.02394212 236 ILE   A HD12 
2189 H  HD13 . ILE   A 124 ? 0.04870485 0.32307297 0.22928396 0.00863213  -0.00427320 -0.02369617 236 ILE   A HD13 
2190 N  N    . SER   A 125 ? 0.00746747 0.30853260 0.21848014 -0.00038546 0.01542602  -0.03251318 237 SER   A N    
2191 C  CA   . SER   A 125 ? 0.02686089 0.31056887 0.22378400 -0.00292481 0.01990960  -0.02934451 237 SER   A CA   
2192 C  C    . SER   A 125 ? 0.01765567 0.30772305 0.22114310 -0.00534361 0.02386131  -0.02444899 237 SER   A C    
2193 O  O    . SER   A 125 ? 0.00848719 0.30897444 0.22636585 -0.01072633 0.02058451  -0.02615527 237 SER   A O    
2194 C  CB   . SER   A 125 ? 0.06339298 0.31899631 0.23081093 -0.00039754 0.01888649  -0.02714528 237 SER   A CB   
2195 O  OG   . SER   A 125 ? 0.06634441 0.33012986 0.24361563 0.00018502  0.01413156  -0.02844331 237 SER   A OG   
2196 H  H    . SER   A 125 ? 0.00765186 0.30844712 0.21778129 -0.00082782 0.01664334  -0.03156586 237 SER   A H    
2197 H  HA   . SER   A 125 ? 0.02710691 0.31052405 0.22328077 -0.00317430 0.02023754  -0.02875215 237 SER   A HA   
2198 H  HB2  . SER   A 125 ? 0.05668317 0.31894428 0.23168622 -0.00101491 0.01822265  -0.02756019 237 SER   A HB2  
2199 H  HB3  . SER   A 125 ? 0.05690622 0.31912047 0.23190798 -0.00112219 0.01808016  -0.02742236 237 SER   A HB3  
2200 H  HG   . SER   A 125 ? 0.23267142 0.23267142 0.23267142 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2201 N  N    . GLY   A 126 ? 0.02965106 0.30897021 0.21322235 -0.00476613 0.02637455  -0.02298199 238 GLY   A N    
2202 C  CA   . GLY   A 126 ? 0.04093838 0.31117541 0.20793596 -0.00231354 0.02335133  -0.02295947 238 GLY   A CA   
2203 C  C    . GLY   A 126 ? 0.04442789 0.31792706 0.20756271 0.00158808  0.01487233  -0.01796032 238 GLY   A C    
2204 O  O    . GLY   A 126 ? 0.04250297 0.32087666 0.20977135 -0.00374549 0.01149605  -0.01650619 238 GLY   A O    
2205 H  H    . GLY   A 126 ? 0.02963027 0.30879802 0.21325944 -0.00461787 0.02615784  -0.02308512 238 GLY   A H    
2206 H  HA2  . GLY   A 126 ? 0.04079316 0.31219757 0.20905492 -0.00227428 0.02246793  -0.02218161 238 GLY   A HA2  
2207 H  HA3  . GLY   A 126 ? 0.04041560 0.31165594 0.20872037 -0.00236803 0.02267153  -0.02219905 238 GLY   A HA3  
2208 N  N    . ASP   A 127 ? 0.02642574 0.32412517 0.20512672 0.00410607  0.01578138  -0.01292188 239 ASP   A N    
2209 C  CA   . ASP   A 127 ? 0.04854846 0.33261871 0.20372321 0.00610847  0.01563697  -0.01578892 239 ASP   A CA   
2210 C  C    . ASP   A 127 ? 0.04018059 0.33819109 0.19740763 0.00870575  0.01676507  -0.01561040 239 ASP   A C    
2211 O  O    . ASP   A 127 ? 0.04808835 0.34855044 0.19229488 0.01410495  0.01130239  -0.01284649 239 ASP   A O    
2212 C  CB   . ASP   A 127 ? 0.06850521 0.33471084 0.22210628 0.00950731  0.01694442  -0.01522713 239 ASP   A CB   
2213 C  CG   . ASP   A 127 ? 0.08505471 0.34363562 0.22619399 0.00500253  0.01465336  -0.01137764 239 ASP   A CG   
2214 O  OD1  . ASP   A 127 ? 0.10765213 0.35745496 0.24167019 0.00740547  0.02754827  0.00303175  239 ASP   A OD1  
2215 O  OD2  . ASP   A 127 ? 0.08770658 0.34780234 0.24565051 0.00633488  0.01118636  -0.01017128 239 ASP   A OD2  
2216 H  H    . ASP   A 127 ? 0.02798153 0.32362396 0.20516664 0.00237733  0.01717779  -0.01394254 239 ASP   A H    
2217 H  HA   . ASP   A 127 ? 0.04716482 0.33235139 0.20547697 0.00683575  0.01570581  -0.01528047 239 ASP   A HA   
2218 H  HB2  . ASP   A 127 ? 0.06890940 0.33547258 0.21974704 0.00857962  0.01606277  -0.01464128 239 ASP   A HB2  
2219 H  HB3  . ASP   A 127 ? 0.06827815 0.33558011 0.21975319 0.00858129  0.01650752  -0.01432529 239 ASP   A HB3  
2220 N  N    . ILE   A 128 ? 0.04201227 0.34217536 0.18703720 0.01009662  0.02059479  -0.01326131 240 ILE   A N    
2221 C  CA   . ILE   A 128 ? 0.03782630 0.34406328 0.17720848 0.00114900  0.02005228  -0.01376588 240 ILE   A CA   
2222 C  C    . ILE   A 128 ? 0.03896722 0.34559172 0.17294914 -0.00145257 0.02380670  -0.01409055 240 ILE   A C    
2223 O  O    . ILE   A 128 ? 0.04622001 0.35363042 0.16665383 0.00746588  0.01601530  -0.01214990 240 ILE   A O    
2224 C  CB   . ILE   A 128 ? 0.03532352 0.34297031 0.18259862 0.00089074  0.02103587  -0.01221509 240 ILE   A CB   
2225 C  CG1  . ILE   A 128 ? 0.04900321 0.34287494 0.18837102 0.00368707  0.01853479  -0.01463525 240 ILE   A CG1  
2226 C  CG2  . ILE   A 128 ? 0.03345728 0.34830433 0.18614411 -0.00135553 0.01838189  -0.01319477 240 ILE   A CG2  
2227 C  CD1  . ILE   A 128 ? 0.05090452 0.34141624 0.19250320 0.00690236  0.01945066  -0.01522925 240 ILE   A CD1  
2228 H  H    . ILE   A 128 ? 0.04107637 0.34154457 0.18695535 0.00841029  0.01990591  -0.01379529 240 ILE   A H    
2229 H  HA   . ILE   A 128 ? 0.03855020 0.34375983 0.17807484 0.00177608  0.02092074  -0.01379337 240 ILE   A HA   
2230 H  HB   . ILE   A 128 ? 0.03764493 0.34355474 0.18271455 0.00106755  0.02022842  -0.01256959 240 ILE   A HB   
2231 H  HG12 . ILE   A 128 ? 0.04783787 0.34255266 0.18786411 0.00375097  0.01937952  -0.01441311 240 ILE   A HG12 
2232 H  HG13 . ILE   A 128 ? 0.04974021 0.34258032 0.18759149 0.00368520  0.01954437  -0.01432632 240 ILE   A HG13 
2233 H  HG21 . ILE   A 128 ? 0.03440164 0.34732711 0.18570627 -0.00077968 0.01901658  -0.01299687 240 ILE   A HG21 
2234 H  HG22 . ILE   A 128 ? 0.03441918 0.34703922 0.18599506 -0.00078992 0.01893955  -0.01314454 240 ILE   A HG22 
2235 H  HG23 . ILE   A 128 ? 0.03424974 0.34727091 0.18588203 -0.00089007 0.01898430  -0.01285125 240 ILE   A HG23 
2236 H  HD11 . ILE   A 128 ? 0.05115476 0.34135163 0.19186214 0.00634042  0.01941347  -0.01516096 240 ILE   A HD11 
2237 H  HD12 . ILE   A 128 ? 0.05069831 0.34113586 0.19218647 0.00633217  0.01921730  -0.01521640 240 ILE   A HD12 
2238 H  HD13 . ILE   A 128 ? 0.05164093 0.34134620 0.19164798 0.00603278  0.01983651  -0.01504190 240 ILE   A HD13 
2239 N  N    . ASP   A 129 ? 0.04198335 0.35135961 0.16897528 -0.00592255 0.02391997  -0.01740336 241 ASP   A N    
2240 C  CA   . ASP   A 129 ? 0.04504040 0.35789698 0.18604080 -0.00545490 0.03052800  -0.01847244 241 ASP   A CA   
2241 C  C    . ASP   A 129 ? 0.03097493 0.35523111 0.18353325 -0.01374182 0.02722421  -0.02205055 241 ASP   A C    
2242 O  O    . ASP   A 129 ? 0.09085795 0.35459906 0.18944502 -0.00957504 0.04043579  -0.01642768 241 ASP   A O    
2243 C  CB   . ASP   A 129 ? 0.09014249 0.37458771 0.20342429 -0.01325797 0.02000994  -0.02467795 241 ASP   A CB   
2244 C  CG   . ASP   A 129 ? 0.14817318 0.39220959 0.24125573 -0.01296395 0.02003720  -0.02459151 241 ASP   A CG   
2245 O  OD1  . ASP   A 129 ? 0.19217664 0.42487973 0.25759453 -0.02409821 0.02457482  -0.01834090 241 ASP   A OD1  
2246 O  OD2  . ASP   A 129 ? 0.21470787 0.42792290 0.26943111 -0.00790902 0.01954566  -0.04298632 241 ASP   A OD2  
2247 H  H    . ASP   A 129 ? 0.04190628 0.35109550 0.17100723 -0.00453981 0.02543453  -0.01722685 241 ASP   A H    
2248 H  HA   . ASP   A 129 ? 0.04794373 0.35807055 0.18374105 -0.00784876 0.02807567  -0.01923439 241 ASP   A HA   
2249 H  HB2  . ASP   A 129 ? 0.08931064 0.37396532 0.20541638 -0.01122807 0.02221169  -0.02313544 241 ASP   A HB2  
2250 H  HB3  . ASP   A 129 ? 0.09052099 0.37417817 0.20487279 -0.01201156 0.02247279  -0.02301038 241 ASP   A HB3  
2251 N  N    . LEU   A 130 ? 0.02018479 0.35330158 0.17662545 -0.01618341 0.02012651  -0.01995821 242 LEU   A N    
2252 C  CA   . LEU   A 130 ? 0.00892252 0.35413915 0.17842312 -0.01489557 0.01910287  -0.01944732 242 LEU   A CA   
2253 C  C    . LEU   A 130 ? 0.00812756 0.35774720 0.19244751 -0.01516455 0.01545137  -0.02164578 242 LEU   A C    
2254 O  O    . LEU   A 130 ? 0.01069470 0.37039220 0.19748853 -0.01600799 0.02721080  -0.01900004 242 LEU   A O    
2255 C  CB   . LEU   A 130 ? 0.00911673 0.35340846 0.17525132 -0.01787687 0.01862168  -0.01805200 242 LEU   A CB   
2256 C  CG   . LEU   A 130 ? 0.00832036 0.35355926 0.18045618 -0.01936269 0.01351009  -0.01734838 242 LEU   A CG   
2257 C  CD1  . LEU   A 130 ? 0.00826173 0.35345370 0.18033421 -0.02240680 0.01029178  -0.01782801 242 LEU   A CD1  
2258 C  CD2  . LEU   A 130 ? 0.00795570 0.35552859 0.18414143 -0.02154227 0.00846836  -0.02044209 242 LEU   A CD2  
2259 H  H    . LEU   A 130 ? 0.02018825 0.35367543 0.17741673 -0.01549167 0.02147084  -0.02013214 242 LEU   A H    
2260 H  HA   . LEU   A 130 ? 0.00921733 0.35406119 0.17861244 -0.01588961 0.02010693  -0.01931550 242 LEU   A HA   
2261 H  HB2  . LEU   A 130 ? 0.00899725 0.35340035 0.17617844 -0.01763959 0.01820014  -0.01807987 242 LEU   A HB2  
2262 H  HB3  . LEU   A 130 ? 0.00914118 0.35344547 0.17576611 -0.01778356 0.01879617  -0.01785142 242 LEU   A HB3  
2263 H  HG   . LEU   A 130 ? 0.00830725 0.35352468 0.18022184 -0.01974726 0.01314397  -0.01771522 242 LEU   A HG   
2264 H  HD11 . LEU   A 130 ? 0.00829295 0.35288501 0.18016230 -0.02186058 0.01114901  -0.01779824 242 LEU   A HD11 
2265 H  HD12 . LEU   A 130 ? 0.00827904 0.35306793 0.18025598 -0.02193534 0.01095495  -0.01774846 242 LEU   A HD12 
2266 H  HD13 . LEU   A 130 ? 0.00825955 0.35297561 0.18020894 -0.02187763 0.01083678  -0.01769985 242 LEU   A HD13 
2267 H  HD21 . LEU   A 130 ? 0.00807325 0.35511011 0.18338726 -0.02142824 0.00985175  -0.01975274 242 LEU   A HD21 
2268 H  HD22 . LEU   A 130 ? 0.00797237 0.35477948 0.18316135 -0.02093375 0.00938143  -0.01976770 242 LEU   A HD22 
2269 H  HD23 . LEU   A 130 ? 0.00801526 0.35496712 0.18327597 -0.02112527 0.00961690  -0.01986958 242 LEU   A HD23 
2270 N  N    . THR   A 131 ? 0.00917051 0.35179484 0.19576646 -0.02006540 0.01913516  -0.02439514 243 THR   A N    
2271 C  CA   . THR   A 131 ? 0.04307099 0.35967493 0.20968474 -0.01261653 0.00689685  -0.02110828 243 THR   A CA   
2272 C  C    . THR   A 131 ? 0.03474988 0.35545152 0.21048698 -0.01460689 0.00405550  -0.02153001 243 THR   A C    
2273 O  O    . THR   A 131 ? 0.04154444 0.36454946 0.22986230 -0.00511222 0.01087597  -0.01600805 243 THR   A O    
2274 C  CB   . THR   A 131 ? 0.08012152 0.37526238 0.21411321 -0.01535900 0.01045197  -0.02372997 243 THR   A CB   
2275 O  OG1  . THR   A 131 ? 0.11629067 0.37933415 0.23396477 -0.01607511 0.00816248  -0.02303239 243 THR   A OG1  
2276 C  CG2  . THR   A 131 ? 0.09215742 0.38279694 0.22561061 -0.01190140 0.01035002  -0.01895127 243 THR   A CG2  
2277 H  H    . THR   A 131 ? 0.00943492 0.35368019 0.19578813 -0.01941145 0.02075470  -0.02294828 243 THR   A H    
2278 H  HA   . THR   A 131 ? 0.04255681 0.36063677 0.20797867 -0.01309321 0.00903653  -0.02195216 243 THR   A HA   
2279 H  HB   . THR   A 131 ? 0.08066048 0.37379688 0.21708238 -0.01516166 0.00986200  -0.02263629 243 THR   A HB   
2280 H  HG1  . THR   A 131 ? 0.26603141 0.26603141 0.26603141 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2281 H  HG21 . THR   A 131 ? 0.09048261 0.38149947 0.22462887 -0.01230996 0.00996550  -0.01960201 243 THR   A HG21 
2282 H  HG22 . THR   A 131 ? 0.09191969 0.38169920 0.22342218 -0.01191193 0.01016057  -0.01969242 243 THR   A HG22 
2283 H  HG23 . THR   A 131 ? 0.09016421 0.38197875 0.22341129 -0.01233484 0.01023532  -0.01948076 243 THR   A HG23 
2284 N  N    . SER   A 132 ? 0.03666306 0.35025764 0.20929225 -0.01233224 0.00225866  -0.02644082 244 SER   A N    
2285 C  CA   . SER   A 132 ? 0.03454277 0.34884489 0.21409337 -0.00724501 -0.00312624 -0.03162410 244 SER   A CA   
2286 C  C    . SER   A 132 ? 0.02094542 0.33645821 0.20429696 0.00034140  0.00796575  -0.03022163 244 SER   A C    
2287 O  O    . SER   A 132 ? 0.02407717 0.33282918 0.19077754 -0.00059150 0.01232679  -0.02969202 244 SER   A O    
2288 C  CB   . SER   A 132 ? 0.06588882 0.36026627 0.22859560 -0.00332015 -0.01124603 -0.02960522 244 SER   A CB   
2289 O  OG   . SER   A 132 ? 0.09110709 0.37331688 0.23073949 -0.00231219 -0.00648540 -0.03382045 244 SER   A OG   
2290 H  H    . SER   A 132 ? 0.03644387 0.35063529 0.20981044 -0.01225294 0.00189991  -0.02637926 244 SER   A H    
2291 H  HA   . SER   A 132 ? 0.03717998 0.34843415 0.21407183 -0.00599820 -0.00173851 -0.03037548 244 SER   A HA   
2292 H  HB2  . SER   A 132 ? 0.06459335 0.36069143 0.22612010 -0.00383436 -0.00890377 -0.03009356 244 SER   A HB2  
2293 H  HB3  . SER   A 132 ? 0.06528743 0.36031175 0.22595344 -0.00388696 -0.00902841 -0.03022696 244 SER   A HB3  
2294 H  HG   . SER   A 132 ? 0.25283432 0.25283432 0.25283432 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2295 N  N    . ALA   A 133 ? 0.02181671 0.33022922 0.20939186 0.00415193  0.00585363  -0.03037465 245 ALA   A N    
2296 C  CA   . ALA   A 133 ? 0.03513402 0.32659507 0.21173753 -0.00442328 0.00630366  -0.02995941 245 ALA   A CA   
2297 C  C    . ALA   A 133 ? 0.03247821 0.32734025 0.22664797 -0.00325166 0.01240309  -0.03126909 245 ALA   A C    
2298 O  O    . ALA   A 133 ? 0.04713625 0.33813089 0.23837267 0.00288777  0.02461014  -0.03454680 245 ALA   A O    
2299 C  CB   . ALA   A 133 ? 0.06276948 0.33101690 0.21182097 -0.00388457 0.00352147  -0.02830216 245 ALA   A CB   
2300 H  H    . ALA   A 133 ? 0.02276148 0.33053994 0.20862958 0.00307808  0.00731212  -0.03089453 245 ALA   A H    
2301 H  HA   . ALA   A 133 ? 0.03634716 0.32755041 0.21304445 -0.00260487 0.00737390  -0.02965834 245 ALA   A HA   
2302 H  HB1  . ALA   A 133 ? 0.05825934 0.33035117 0.21181530 -0.00380538 0.00400573  -0.02810814 245 ALA   A HB1  
2303 H  HB2  . ALA   A 133 ? 0.05986569 0.33007073 0.21250287 -0.00376852 0.00295613  -0.02813684 245 ALA   A HB2  
2304 H  HB3  . ALA   A 133 ? 0.05994132 0.33038473 0.21201280 -0.00314463 0.00446295  -0.02789314 245 ALA   A HB3  
2305 N  N    . SER   A 134 ? 0.03214401 0.32748270 0.23928656 -0.00485081 0.01298739  -0.03199747 246 SER   A N    
2306 C  CA   . SER   A 134 ? 0.03631509 0.33014852 0.25934798 -0.00644415 0.01019895  -0.03390956 246 SER   A CA   
2307 C  C    . SER   A 134 ? 0.02872593 0.32545060 0.27208960 -0.00156587 0.00699597  -0.03822688 246 SER   A C    
2308 O  O    . SER   A 134 ? 0.03098709 0.32569116 0.27452415 0.00016852  0.01456968  -0.03510763 246 SER   A O    
2309 C  CB   . SER   A 134 ? 0.05801020 0.34565181 0.26889753 -0.00257067 0.00116471  -0.02960489 246 SER   A CB   
2310 O  OG   . SER   A 134 ? 0.07724940 0.36850572 0.27141589 0.00175561  -0.00130857 -0.02953843 246 SER   A OG   
2311 H  H    . SER   A 134 ? 0.03310056 0.32760906 0.23907351 -0.00444991 0.01303343  -0.03229071 246 SER   A H    
2312 H  HA   . SER   A 134 ? 0.03735342 0.33049881 0.25862300 -0.00500259 0.00931346  -0.03354448 246 SER   A HA   
2313 H  HB2  . SER   A 134 ? 0.05767787 0.34592068 0.26805890 -0.00235701 0.00239475  -0.03024485 246 SER   A HB2  
2314 H  HB3  . SER   A 134 ? 0.05820774 0.34607953 0.26784360 -0.00246770 0.00242979  -0.03014218 246 SER   A HB3  
2315 H  HG   . SER   A 134 ? 0.26613274 0.26613274 0.26613274 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2316 N  N    . TYR   A 135 ? 0.03746527 0.32727623 0.29353404 0.00703503  -0.00065350 -0.04210453 247 TYR   A N    
2317 C  CA   . TYR   A 135 ? 0.03355304 0.33027905 0.31252277 0.00581320  -0.01129699 -0.04414399 247 TYR   A CA   
2318 C  C    . TYR   A 135 ? 0.01830064 0.34078330 0.31010914 0.01028904  -0.01433099 -0.03826877 247 TYR   A C    
2319 O  O    . TYR   A 135 ? 0.01361079 0.34892219 0.32348061 0.00043559  -0.00505260 -0.03558494 247 TYR   A O    
2320 C  CB   . TYR   A 135 ? 0.05247724 0.33887190 0.33464998 0.01592248  -0.03071152 -0.04947080 247 TYR   A CB   
2321 C  CG   . TYR   A 135 ? 0.08526800 0.35113585 0.34803212 0.03114339  -0.03709561 -0.06569557 247 TYR   A CG   
2322 C  CD1  . TYR   A 135 ? 0.12428220 0.35727525 0.36621082 0.03831099  -0.04981692 -0.06677015 247 TYR   A CD1  
2323 C  CD2  . TYR   A 135 ? 0.09523679 0.35061520 0.36170352 0.03634696  -0.04592672 -0.06569396 247 TYR   A CD2  
2324 C  CE1  . TYR   A 135 ? 0.13786374 0.36750638 0.37671685 0.04145383  -0.04693488 -0.07774879 247 TYR   A CE1  
2325 C  CE2  . TYR   A 135 ? 0.13627805 0.37315226 0.36750174 0.03607143  -0.04149170 -0.07517917 247 TYR   A CE2  
2326 C  CZ   . TYR   A 135 ? 0.15279029 0.37485945 0.37902546 0.04112232  -0.05156972 -0.07713635 247 TYR   A CZ   
2327 O  OH   . TYR   A 135 ? 0.20499672 0.40704596 0.39441049 0.05421080  -0.04226723 -0.09193152 247 TYR   A OH   
2328 H  H    . TYR   A 135 ? 0.03591148 0.32707661 0.29196352 0.00496583  -0.00044521 -0.04140227 247 TYR   A H    
2329 H  HA   . TYR   A 135 ? 0.03458993 0.33210403 0.31141448 0.00811945  -0.01214239 -0.04351319 247 TYR   A HA   
2330 H  HB2  . TYR   A 135 ? 0.05429393 0.33817649 0.33280957 0.01633785  -0.02805766 -0.05085239 247 TYR   A HB2  
2331 H  HB3  . TYR   A 135 ? 0.05446386 0.33811033 0.33285898 0.01668267  -0.02817913 -0.05089179 247 TYR   A HB3  
2332 H  HD1  . TYR   A 135 ? 0.11863914 0.35756320 0.36432493 0.03793504  -0.04730645 -0.06828973 247 TYR   A HD1  
2333 H  HD2  . TYR   A 135 ? 0.09968929 0.35182357 0.36014217 0.03637397  -0.04327032 -0.06677082 247 TYR   A HD2  
2334 H  HE1  . TYR   A 135 ? 0.13804829 0.36684090 0.37596095 0.04110236  -0.04844595 -0.07600082 247 TYR   A HE1  
2335 H  HE2  . TYR   A 135 ? 0.13206165 0.36984789 0.36905783 0.03766482  -0.04342910 -0.07393317 247 TYR   A HE2  
2336 H  HH   . TYR   A 135 ? 0.42110348 0.42110348 0.42110348 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2337 N  N    . THR   A 136 ? 0.06182101 0.34417343 0.30441386 0.00734504  -0.01907020 -0.02019040 248 THR   A N    
2338 C  CA   . THR   A 136 ? 0.09326904 0.35232544 0.30597657 0.01457374  -0.02604356 -0.01136156 248 THR   A CA   
2339 C  C    . THR   A 136 ? 0.08992382 0.35106218 0.29391670 0.02042606  -0.01788854 0.00044720  248 THR   A C    
2340 O  O    . THR   A 136 ? 0.08373429 0.34128088 0.30766219 0.01784980  -0.02044347 0.00014827  248 THR   A O    
2341 C  CB   . THR   A 136 ? 0.12632447 0.36432076 0.31490791 0.00880336  -0.03642023 -0.01408477 248 THR   A CB   
2342 O  OG1  . THR   A 136 ? 0.17049603 0.37690991 0.34295791 0.01303838  -0.04907199 -0.01025487 248 THR   A OG1  
2343 C  CG2  . THR   A 136 ? 0.13362318 0.36746359 0.31208313 0.00912905  -0.03545637 -0.01393975 248 THR   A CG2  
2344 H  H    . THR   A 136 ? 0.06117611 0.34483260 0.30599308 0.00756512  -0.01964791 -0.02222763 248 THR   A H    
2345 H  HA   . THR   A 136 ? 0.09120893 0.35206568 0.30559105 0.01310583  -0.02526164 -0.01107980 248 THR   A HA   
2346 H  HB   . THR   A 136 ? 0.12746800 0.36396855 0.31672394 0.00919956  -0.03591556 -0.01311422 248 THR   A HB   
2347 H  HG1  . THR   A 136 ? 0.34993801 0.34993801 0.34993801 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2348 H  HG21 . THR   A 136 ? 0.13269663 0.36671519 0.31238681 0.00894743  -0.03567718 -0.01396716 248 THR   A HG21 
2349 H  HG22 . THR   A 136 ? 0.13318250 0.36688393 0.31238163 0.00919706  -0.03560640 -0.01391090 248 THR   A HG22 
2350 H  HG23 . THR   A 136 ? 0.13228345 0.36677217 0.31276143 0.00870072  -0.03533592 -0.01403976 248 THR   A HG23 
2351 N  N    . MET   A 137 ? 0.12939093 0.36320597 0.28231710 0.02199338  -0.01208830 0.01445303  249 MET   A N    
2352 C  CA   . MET   A 137 ? 0.14253476 0.37953061 0.26758265 0.01681642  -0.01505476 0.02327682  249 MET   A CA   
2353 C  C    . MET   A 137 ? 0.17490494 0.39861685 0.26764399 0.00834061  -0.01572746 0.03062657  249 MET   A C    
2354 O  O    . MET   A 137 ? 0.17903949 0.41530234 0.27347749 0.01404758  -0.01563167 0.04469596  249 MET   A O    
2355 C  CB   . MET   A 137 ? 0.15511908 0.38832116 0.27013099 0.03165118  -0.01755394 0.01806140  249 MET   A CB   
2356 C  CG   . MET   A 137 ? 0.18858564 0.40217936 0.26734310 0.04354488  -0.02706771 0.01193610  249 MET   A CG   
2357 S  SD   . MET   A 137 ? 0.22020529 0.42290556 0.25808817 0.07168834  -0.03215007 0.00084887  249 MET   A SD   
2358 C  CE   . MET   A 137 ? 0.22573848 0.41983968 0.25947654 0.06434959  -0.03107169 0.00834561  249 MET   A CE   
2359 H  H    . MET   A 137 ? 0.12628233 0.36311764 0.28287452 0.01938788  -0.01332179 0.01326197  249 MET   A H    
2360 H  HA   . MET   A 137 ? 0.14508142 0.37987977 0.26956391 0.01898187  -0.01514243 0.02259942  249 MET   A HA   
2361 H  HB2  . MET   A 137 ? 0.15727708 0.38821572 0.26953477 0.03136651  -0.01851150 0.01871757  249 MET   A HB2  
2362 H  HB3  . MET   A 137 ? 0.15728109 0.38817960 0.26969516 0.03073069  -0.01819364 0.01845704  249 MET   A HB3  
2363 H  HG2  . MET   A 137 ? 0.18706092 0.40181679 0.26660943 0.04541100  -0.02602136 0.01201324  249 MET   A HG2  
2364 H  HG3  . MET   A 137 ? 0.18721138 0.40226322 0.26658976 0.04552472  -0.02611344 0.01212570  249 MET   A HG3  
2365 H  HE1  . MET   A 137 ? 0.22595096 0.42039812 0.25925982 0.06566095  -0.03127038 0.00719116  249 MET   A HE1  
2366 H  HE2  . MET   A 137 ? 0.22541203 0.42014384 0.25916517 0.06548534  -0.03141725 0.00720998  249 MET   A HE2  
2367 H  HE3  . MET   A 137 ? 0.22563820 0.42062819 0.25923592 0.06564806  -0.03140120 0.00741359  249 MET   A HE3  
2368 N  N    . ILE   A 138 ? 0.18297417 0.40863365 0.26068389 0.00041959  -0.01081257 0.03371237  250 ILE   A N    
2369 C  CA   . ILE   A 138 ? 0.22845994 0.43149334 0.26642382 -0.00734907 -0.00226539 0.03814430  250 ILE   A CA   
2370 C  C    . ILE   A 138 ? 0.23450540 0.44135612 0.27997053 -0.02067951 0.00374390  0.03988865  250 ILE   A C    
2371 O  O    . ILE   A 138 ? 0.23920634 0.45410866 0.28615856 -0.03183331 0.00508381  0.04507530  250 ILE   A O    
2372 C  CB   . ILE   A 138 ? 0.25892246 0.43666655 0.27228999 0.00112922  0.00643313  0.03757921  250 ILE   A CB   
2373 C  CG1  . ILE   A 138 ? 0.26445341 0.44502175 0.27158767 0.00331340  0.00684132  0.03848202  250 ILE   A CG1  
2374 C  CG2  . ILE   A 138 ? 0.27655816 0.44042575 0.28533667 -0.00172633 0.00981690  0.03444385  250 ILE   A CG2  
2375 C  CD1  . ILE   A 138 ? 0.26977992 0.45101911 0.27605963 0.00469399  0.01120787  0.04060200  250 ILE   A CD1  
2376 O  OXT  . ILE   A 138 ? 0.25225759 0.44704652 0.28787231 -0.03069063 0.00795451  0.03826485  250 ILE   A OXT  
2377 H  H    . ILE   A 138 ? 0.18703111 0.40915203 0.26207876 0.00164869  -0.01182902 0.03434566  250 ILE   A H    
2378 H  HA   . ILE   A 138 ? 0.22566862 0.42930812 0.26770765 -0.00604569 -0.00126938 0.03803850  250 ILE   A HA   
2379 H  HB   . ILE   A 138 ? 0.25793266 0.43746924 0.27226549 0.00019711  0.00576455  0.03773780  250 ILE   A HB   
2380 H  HG12 . ILE   A 138 ? 0.26238000 0.44330782 0.27159333 0.00316407  0.00742911  0.03820648  250 ILE   A HG12 
2381 H  HG13 . ILE   A 138 ? 0.26423550 0.44454366 0.27217776 0.00304022  0.00747652  0.03864649  250 ILE   A HG13 
2382 H  HG21 . ILE   A 138 ? 0.27523315 0.43995094 0.28337014 -0.00148946 0.00920563  0.03508901  250 ILE   A HG21 
2383 H  HG22 . ILE   A 138 ? 0.27431303 0.43959069 0.28443617 -0.00110656 0.00906436  0.03466374  250 ILE   A HG22 
2384 H  HG23 . ILE   A 138 ? 0.27596545 0.43965113 0.28369081 -0.00115411 0.00991281  0.03497095  250 ILE   A HG23 
2385 H  HD11 . ILE   A 138 ? 0.27003402 0.45050049 0.27516919 0.00485587  0.01049404  0.04027058  250 ILE   A HD11 
2386 H  HD12 . ILE   A 138 ? 0.27065688 0.45100135 0.27490419 0.00485821  0.01072524  0.04062595  250 ILE   A HD12 
2387 H  HD13 . ILE   A 138 ? 0.27004993 0.45063865 0.27494228 0.00485140  0.01053468  0.04047665  250 ILE   A HD13 
2388 S  S    . SCN   B .   ? 0.12772030 0.46710426 0.30324966 0.00814409  -0.01621873 0.01060672  301 SCN   A S    
2389 C  C    . SCN   B .   ? 0.09369358 0.48322546 0.31954819 -0.01982250 -0.02122958 0.02226681  301 SCN   A C    
2390 N  N    . SCN   B .   ? 0.06175102 0.48901069 0.31292969 -0.04018393 -0.03368485 0.03944453  301 SCN   A N    
2391 N  N1   . A1H2M C .   ? 0.12260276 0.38843000 0.24618967 0.02564445  -0.03490587 0.03520625  302 A1H2M A N1   
2392 N  N3   . A1H2M C .   ? 0.13166125 0.38761890 0.23672985 0.02170020  -0.02842835 0.03547235  302 A1H2M A N3   
2393 C  C4   . A1H2M C .   ? 0.10160024 0.33567208 0.20895104 0.01837098  -0.01007042 0.02441769  302 A1H2M A C4   
2394 C  C5   . A1H2M C .   ? 0.10755778 0.35839325 0.22927138 0.02251947  -0.02562370 0.02863443  302 A1H2M A C5   
2395 C  C6   . A1H2M C .   ? 0.11688288 0.37751848 0.23623534 0.02318618  -0.02694687 0.03586384  302 A1H2M A C6   
2396 C  C7   . A1H2M C .   ? 0.12714040 0.41236234 0.27097803 0.02541186  -0.03016201 0.03470400  302 A1H2M A C7   
2397 C  C8   . A1H2M C .   ? 0.13785513 0.41534013 0.28137863 0.02063144  -0.02136833 0.03831832  302 A1H2M A C8   
2398 C  C10  . A1H2M C .   ? 0.13422038 0.42096311 0.27612197 0.03137173  -0.03179586 0.03173305  302 A1H2M A C10  
2399 C  C13  . A1H2M C .   ? 0.06983076 0.31035346 0.18059954 0.00911551  0.00148667  0.00442693  302 A1H2M A C13  
2400 C  C15  . A1H2M C .   ? 0.10097336 0.34156138 0.21648771 -0.00514677 0.01046270  -0.00580428 302 A1H2M A C15  
2401 C  C17  . A1H2M C .   ? 0.11181015 0.35782653 0.24489938 -0.01766387 0.01574579  -0.01074245 302 A1H2M A C17  
2402 C  C20  . A1H2M C .   ? 0.11443284 0.35335475 0.26422179 -0.01476659 -0.00220152 -0.01550125 302 A1H2M A C20  
2403 C  C21  . A1H2M C .   ? 0.11125588 0.34413224 0.24146794 -0.01498144 0.00269825  -0.00880953 302 A1H2M A C21  
2404 C  C22  . A1H2M C .   ? 0.10020306 0.33356947 0.20255099 -0.00328834 0.00777876  -0.00423989 302 A1H2M A C22  
2405 C  C1   . A1H2M C .   ? 0.12279892 0.32986748 0.23552032 -0.00517151 0.01877554  0.01942942  302 A1H2M A C1   
2406 O  O1   . A1H2M C .   ? 0.10133770 0.32517099 0.22331639 0.00084858  0.01454418  0.01929517  302 A1H2M A O1   
2407 C  C2   . A1H2M C .   ? 0.08242347 0.32034898 0.20317777 0.00949601  0.00790199  0.01495395  302 A1H2M A C2   
2408 C  C3   . A1H2M C .   ? 0.08209897 0.31946051 0.20350280 0.01512147  -0.00023991 0.01880324  302 A1H2M A C3   
2409 F  F1   . A1H2M C .   ? 0.15282026 0.41811699 0.28389448 0.02406843  -0.01515508 0.04444096  302 A1H2M A F1   
2410 C  C9   . A1H2M C .   ? 0.14565893 0.41790080 0.28339207 0.03649955  -0.03720848 0.03630336  302 A1H2M A C9   
2411 O  O2   . A1H2M C .   ? 0.13734381 0.42672634 0.30071622 0.04561825  -0.02487222 0.03355130  302 A1H2M A O2   
2412 N  N2   . A1H2M C .   ? 0.13033263 0.39352030 0.24985872 0.02001980  -0.02952877 0.03727592  302 A1H2M A N2   
2413 O  O3   . A1H2M C .   ? 0.05963472 0.31173319 0.18595156 0.01651895  -0.00156801 0.01238931  302 A1H2M A O3   
2414 C  C11  . A1H2M C .   ? 0.06731711 0.30837446 0.18174581 0.01359795  0.00288967  0.00727157  302 A1H2M A C11  
2415 C  C12  . A1H2M C .   ? 0.04766703 0.30497503 0.17851476 0.01392581  0.00345548  0.00501922  302 A1H2M A C12  
2416 O  O4   . A1H2M C .   ? 0.04438090 0.31141037 0.18086319 0.01084969  0.01166481  0.00236855  302 A1H2M A O4   
2417 O  O5   . A1H2M C .   ? 0.05035380 0.30539638 0.17463608 0.01446958  0.00050510  0.00474149  302 A1H2M A O5   
2418 C  C14  . A1H2M C .   ? 0.08455369 0.31770450 0.19270912 0.00442345  0.00614923  0.00870904  302 A1H2M A C14  
2419 N  N4   . A1H2M C .   ? 0.08695343 0.32540607 0.19648755 -0.00365058 0.01033950  0.00162126  302 A1H2M A N4   
2420 N  N5   . A1H2M C .   ? 0.10564378 0.34608036 0.20708084 -0.00257334 0.01649709  -0.00738075 302 A1H2M A N5   
2421 N  N6   . A1H2M C .   ? 0.11225830 0.34646136 0.21965031 -0.00082900 0.00886168  -0.00872359 302 A1H2M A N6   
2422 C  C16  . A1H2M C .   ? 0.10627300 0.34812152 0.23665518 -0.01574245 0.00909809  -0.00931384 302 A1H2M A C16  
2423 C  C18  . A1H2M C .   ? 0.12269074 0.36720848 0.26108491 -0.01917013 0.00733486  -0.01543104 302 A1H2M A C18  
2424 C  C19  . A1H2M C .   ? 0.14085002 0.36529142 0.26436096 -0.01673022 0.01123253  -0.01525850 302 A1H2M A C19  
2425 CL CL1  . A1H2M C .   ? 0.17455514 0.39746821 0.30057961 -0.02123442 -0.01722558 -0.02199128 302 A1H2M A CL1  
2426 F  F2   . A1H2M C .   ? 0.11088960 0.35300910 0.27071953 -0.01726737 -0.00564012 -0.01680657 302 A1H2M A F2   
2427 F  F3   . A1H2M C .   ? 0.11808088 0.34591669 0.23992701 -0.01527784 0.00375920  -0.00109094 302 A1H2M A F3   
2428 H  H7   . A1H2M C .   ? 0.09870293 0.33554119 0.21091725 0.01815434  -0.01067201 0.02445714  302 A1H2M A H7   
2429 H  H6   . A1H2M C .   ? 0.09823035 0.33550221 0.21032977 0.01792212  -0.01047906 0.02403153  302 A1H2M A H6   
2430 H  H8   . A1H2M C .   ? 0.11531883 0.37538970 0.23563616 0.02322447  -0.02770688 0.03407476  302 A1H2M A H8   
2431 H  H9   . A1H2M C .   ? 0.13918693 0.41549778 0.28072977 0.02177801  -0.02169167 0.03909795  302 A1H2M A H9   
2432 H  H10  . A1H2M C .   ? 0.13841058 0.41540849 0.28045738 0.02143406  -0.02133728 0.03916232  302 A1H2M A H10  
2433 H  H13  . A1H2M C .   ? 0.13345046 0.41986078 0.27802455 0.03207088  -0.03071008 0.03222482  302 A1H2M A H13  
2434 H  H14  . A1H2M C .   ? 0.13341254 0.42012882 0.27791631 0.03230422  -0.03028177 0.03217486  302 A1H2M A H14  
2435 H  H19  . A1H2M C .   ? 0.06869946 0.31000078 0.18083930 0.00967661  0.00208061  0.00545131  302 A1H2M A H19  
2436 H  H22  . A1H2M C .   ? 0.11274303 0.35749793 0.24559246 -0.01744573 0.01308013  -0.01119467 302 A1H2M A H22  
2437 H  H24  . A1H2M C .   ? 0.09974774 0.33418936 0.20357484 -0.00339168 0.00935802  -0.00356341 302 A1H2M A H24  
2438 H  H2   . A1H2M C .   ? 0.12017065 0.32892245 0.23403491 -0.00367921 0.01815979  0.01956329  302 A1H2M A H2   
2439 H  H3   . A1H2M C .   ? 0.12090130 0.32907236 0.23467287 -0.00369617 0.01884077  0.01987977  302 A1H2M A H3   
2440 H  H1   . A1H2M C .   ? 0.12259713 0.32869798 0.23338683 -0.00400596 0.01790979  0.01982550  302 A1H2M A H1   
2441 H  H4   . A1H2M C .   ? 0.08567221 0.32045656 0.20372124 0.00829932  0.00766788  0.01518059  302 A1H2M A H4   
2442 H  H5   . A1H2M C .   ? 0.08086644 0.31973296 0.20094159 0.01509346  -0.00061338 0.01805972  302 A1H2M A H5   
2443 H  H12  . A1H2M C .   ? 0.14202091 0.41835910 0.28436786 0.03647777  -0.03438447 0.03581065  302 A1H2M A H12  
2444 H  H11  . A1H2M C .   ? 0.14185332 0.41827226 0.28427362 0.03642186  -0.03440784 0.03574756  302 A1H2M A H11  
2445 H  H15  . A1H2M C .   ? 0.06407361 0.30887157 0.18172212 0.01355510  0.00223830  0.00753558  302 A1H2M A H15  
2446 H  H16  . A1H2M C .   ? 0.05066346 0.30580246 0.17869529 0.01351955  0.00479870  0.00478016  302 A1H2M A H16  
2447 H  H17  . A1H2M C .   ? 0.05054741 0.30526906 0.17917341 0.01378048  0.00488650  0.00486655  302 A1H2M A H17  
2448 H  H18  . A1H2M C .   ? 0.18163086 0.18163086 0.18163086 0.00000000  0.00000000  0.00000000  302 A1H2M A H18  
2449 H  H20  . A1H2M C .   ? 0.17096682 0.17096682 0.17096682 0.00000000  0.00000000  0.00000000  302 A1H2M A H20  
2450 H  H21  . A1H2M C .   ? 0.08249846 0.31818718 0.19302933 0.00480207  0.00616189  0.00800949  302 A1H2M A H21  
2451 H  H23  . A1H2M C .   ? 0.12473215 0.36565500 0.25914085 -0.01804920 0.00859506  -0.01476667 302 A1H2M A H23  
2452 S  S    . SCN   D .   ? 0.33985746 0.48002541 0.37278134 0.02240551  0.09865698  0.04236506  303 SCN   A S    
2453 C  C    . SCN   D .   ? 0.36096513 0.48238987 0.36921418 0.00139143  0.08193469  0.05038413  303 SCN   A C    
2454 N  N    . SCN   D .   ? 0.37054586 0.47992682 0.38120925 -0.00860985 0.08300930  0.05363159  303 SCN   A N    
2455 CL CL   . CL    E .   ? 0.23649763 0.50549006 0.39410818 -0.04782152 0.04898695  0.04364522  304 CL    A CL   
2456 O  O    . HOH   F .   ? 0.41882896 0.47322440 0.41169345 -0.01892323 -0.03822999 -0.05197108 401 HOH   A O    
2457 O  O    . HOH   F .   ? 0.40467983 0.56967831 0.38599288 0.05921869  0.05850366  0.12756063  402 HOH   A O    
2458 O  O    . HOH   F .   ? 0.33521980 0.55935329 0.37627178 -0.12511444 0.07054124  0.01261167  403 HOH   A O    
2459 O  O    . HOH   F .   ? 0.22485606 0.42346573 0.22120577 0.00098763  0.02246863  -0.04879106 404 HOH   A O    
2460 O  O    . HOH   F .   ? 0.26113778 0.62911463 0.26411998 0.00674567  0.01615984  0.09996110  405 HOH   A O    
2461 O  O    . HOH   F .   ? 0.05268699 0.35090232 0.24816133 0.00750211  0.00927382  -0.01353389 406 HOH   A O    
2462 O  O    . HOH   F .   ? 0.12803397 0.35946578 0.34353942 0.00788654  0.00711401  -0.02155811 407 HOH   A O    
2463 O  O    . HOH   F .   ? 0.40348488 0.43161857 0.40025288 -0.15506014 0.20026897  -0.11782543 408 HOH   A O    
2464 O  O    . HOH   F .   ? 0.20116444 0.58895230 0.34060520 -0.02077043 -0.01149540 0.10768536  409 HOH   A O    
2465 O  O    . HOH   F .   ? 0.09876786 0.37548089 0.24612887 0.02467065  -0.01413657 0.00654281  410 HOH   A O    
2466 O  O    . HOH   F .   ? 0.01914466 0.42997521 0.23614669 -0.00612844 -0.00618403 -0.02305961 411 HOH   A O    
2467 O  O    . HOH   F .   ? 0.23762290 0.52033257 0.25726271 -0.08292045 -0.07585075 -0.00346218 412 HOH   A O    
2468 O  O    . HOH   F .   ? 0.19287492 0.41861242 0.62343252 0.10600271  0.03287879  -0.05237429 413 HOH   A O    
2469 O  O    . HOH   F .   ? 0.24062200 0.48861235 0.26505983 -0.01221626 0.06040476  -0.07719190 414 HOH   A O    
2470 O  O    . HOH   F .   ? 0.15962191 0.39589071 0.21622053 -0.06398909 0.01758371  0.00533600  415 HOH   A O    
2471 O  O    . HOH   F .   ? 0.51197648 0.49481386 0.31769329 0.08071125  0.04985167  0.08096726  416 HOH   A O    
2472 O  O    . HOH   F .   ? 0.35722822 0.50795162 0.35914356 -0.02006428 -0.00308255 -0.11783163 417 HOH   A O    
2473 O  O    . HOH   F .   ? 0.18661839 0.43123913 0.25468934 0.02841879  0.05518018  -0.06852505 418 HOH   A O    
2474 O  O    . HOH   F .   ? 0.01175802 0.30436450 0.17911020 -0.02207224 0.02547481  0.00157512  419 HOH   A O    
2475 O  O    . HOH   F .   ? 0.24805985 0.50607347 0.57165420 -0.03728822 0.10897529  0.13626398  420 HOH   A O    
2476 O  O    . HOH   F .   ? 0.11017471 0.51759636 0.18123665 0.02807671  -0.01780202 -0.02797933 421 HOH   A O    
2477 O  O    . HOH   F .   ? 0.09490414 0.33701992 0.18004067 -0.01920937 0.03022322  0.00095035  422 HOH   A O    
2478 O  O    . HOH   F .   ? 0.25488925 0.71386307 0.34209251 -0.08457284 0.01258823  -0.03230591 423 HOH   A O    
2479 O  O    . HOH   F .   ? 0.12608546 0.54720891 0.32771796 -0.02351131 -0.03546259 0.03790898  424 HOH   A O    
2480 O  O    . HOH   F .   ? 0.48079538 0.64779896 0.35615760 0.20451175  0.15319139  0.10313728  425 HOH   A O    
2481 O  O    . HOH   F .   ? 0.29404646 0.53049344 0.44945949 0.12680584  0.16980560  -0.00649752 426 HOH   A O    
2482 O  O    . HOH   F .   ? 0.14752634 0.44656444 0.24233185 -0.06300176 0.05355973  -0.00977588 427 HOH   A O    
2483 O  O    . HOH   F .   ? 0.51423079 0.48139244 0.37618673 0.10696229  0.01231013  0.00644275  428 HOH   A O    
2484 O  O    . HOH   F .   ? 0.27143025 0.40344840 0.31701082 0.00213980  0.07815032  -0.02315563 429 HOH   A O    
2485 O  O    . HOH   F .   ? 0.25062191 0.51612824 0.25823545 -0.08934245 -0.05341918 0.02010371  430 HOH   A O    
2486 O  O    . HOH   F .   ? 0.17844856 0.39753461 0.26043707 0.01642910  -0.03071531 0.00000165  431 HOH   A O    
2487 O  O    . HOH   F .   ? 0.10716007 0.36392349 0.38567644 -0.03136146 0.02625686  -0.00709081 432 HOH   A O    
2488 O  O    . HOH   F .   ? 0.14228427 0.41410708 0.39760423 -0.00158723 -0.05172979 -0.05291918 433 HOH   A O    
2489 O  O    . HOH   F .   ? 0.30279553 0.66927993 0.35478234 -0.19706634 0.12728423  -0.17780417 434 HOH   A O    
2490 O  O    . HOH   F .   ? 0.38444406 0.63420540 0.36451310 -0.04334023 0.12320404  0.02166514  435 HOH   A O    
2491 O  O    . HOH   F .   ? 0.13281035 0.70379645 0.63556319 0.04909390  -0.05942955 0.11497226  436 HOH   A O    
2492 O  O    . HOH   F .   ? 0.19666307 0.62412030 0.47749591 -0.09684075 -0.10313891 0.16124257  437 HOH   A O    
2493 O  O    . HOH   F .   ? 0.15329349 0.64727366 0.28053647 -0.08807098 0.02869532  -0.05818287 438 HOH   A O    
2494 O  O    . HOH   F .   ? 0.23682879 0.67302042 0.33374888 -0.00387598 -0.04337298 0.00732207  439 HOH   A O    
2495 O  O    . HOH   F .   ? 0.13052894 0.34402794 0.23720403 0.02099683  -0.01501859 0.03102887  440 HOH   A O    
2496 O  O    . HOH   F .   ? 0.33538979 0.76095128 0.30332416 0.12520756  0.07215094  -0.10111364 441 HOH   A O    
2497 O  O    . HOH   F .   ? 0.50004017 0.77029067 0.25810552 0.01816494  0.08330286  0.02584898  442 HOH   A O    
2498 O  O    . HOH   F .   ? 0.36270589 0.65229064 0.41512501 -0.04340722 -0.17112501 0.03398082  443 HOH   A O    
2499 O  O    . HOH   F .   ? 0.12302725 0.63742709 0.30502391 -0.04869797 0.02254149  0.03549634  444 HOH   A O    
2500 O  O    . HOH   F .   ? 0.07361204 0.40512854 0.33979660 0.06465317  -0.00146384 0.02922024  445 HOH   A O    
2501 O  O    . HOH   F .   ? 0.17873959 0.50113624 0.50858110 -0.00643117 -0.11946701 -0.03025757 446 HOH   A O    
2502 O  O    . HOH   F .   ? 0.09876285 0.51332897 0.24754094 0.07861481  0.02466157  0.01078891  447 HOH   A O    
2503 O  O    . HOH   F .   ? 0.21835952 0.55119079 0.36256313 0.08680458  0.06836686  0.03791075  448 HOH   A O    
2504 O  O    . HOH   F .   ? 0.08692046 0.44892114 0.28886491 -0.04702108 0.03888239  -0.00553543 449 HOH   A O    
2505 O  O    . HOH   F .   ? 0.09039468 0.73164517 0.31761992 0.04350320  -0.02001209 -0.05800262 450 HOH   A O    
2506 O  O    . HOH   F .   ? 0.08763041 0.60306656 0.35999560 0.09168310  0.04779628  0.07752311  451 HOH   A O    
2507 O  O    . HOH   F .   ? 0.33576244 0.51354671 0.32429868 0.00447249  -0.06605373 -0.03435162 452 HOH   A O    
2508 O  O    . HOH   F .   ? 0.04544430 0.30739397 0.18366753 -0.02981630 0.01462403  -0.00104707 453 HOH   A O    
2509 O  O    . HOH   F .   ? 0.04479193 0.34493971 0.16046417 0.00935680  -0.02176904 -0.01164321 454 HOH   A O    
2510 O  O    . HOH   F .   ? 0.31495917 0.46885782 0.42565328 0.03844101  0.15298674  0.08245562  455 HOH   A O    
2511 O  O    . HOH   F .   ? 0.24387269 0.66316760 0.26502776 0.08837324  0.05138844  0.05389291  456 HOH   A O    
2512 O  O    . HOH   F .   ? 0.07457335 0.38463044 0.23965119 0.00275750  -0.00720693 -0.02341005 457 HOH   A O    
2513 O  O    . HOH   F .   ? 0.05482353 0.35747141 0.17153147 0.02618373  0.00614324  0.01362805  458 HOH   A O    
2514 O  O    . HOH   F .   ? 0.29660892 0.62338382 0.34968913 0.02867799  0.11608969  0.03076945  459 HOH   A O    
2515 O  O    . HOH   F .   ? 0.10194065 0.38740265 0.30171037 -0.01928295 0.00884513  -0.01502384 460 HOH   A O    
2516 O  O    . HOH   F .   ? 0.13969858 0.81590652 0.57673895 0.03547571  -0.07669139 0.03981081  461 HOH   A O    
2517 O  O    . HOH   F .   ? 0.19718044 0.45902973 0.25848013 0.05454459  -0.02929794 -0.08093648 462 HOH   A O    
2518 O  O    . HOH   F .   ? 0.45792663 0.48648238 0.41288096 0.07682677  0.09203479  0.06001606  463 HOH   A O    
2519 O  O    . HOH   F .   ? 0.31706256 0.73942900 0.37976485 0.19868477  0.03482144  0.03338369  464 HOH   A O    
2520 O  O    . HOH   F .   ? 0.15415218 0.57457215 0.47914976 -0.02656281 0.13136581  -0.03364597 465 HOH   A O    
2521 O  O    . HOH   F .   ? 0.13257279 0.66462702 0.49618894 -0.04372604 0.05306615  -0.04868655 466 HOH   A O    
2522 O  O    . HOH   F .   ? 0.25767159 0.48737067 0.42121130 -0.10408966 0.09020882  0.06651814  467 HOH   A O    
2523 O  O    . HOH   F .   ? 0.59843034 0.54194045 0.37033081 -0.12842777 0.20474459  0.01866621  468 HOH   A O    
2524 O  O    . HOH   F .   ? 0.22389431 0.67087585 0.30757040 0.01392982  0.09744379  0.02562905  469 HOH   A O    
2525 O  O    . HOH   F .   ? 0.18545422 0.47879022 0.66673619 -0.02127562 0.23377290  -0.16892537 470 HOH   A O    
2526 O  O    . HOH   F .   ? 0.43668318 0.68896335 0.58564323 -0.04666458 0.23200023  0.02390374  471 HOH   A O    
2527 O  O    . HOH   F .   ? 0.16642778 0.54894680 0.30132723 0.06692470  0.02741852  -0.03238612 472 HOH   A O    
2528 O  O    . HOH   F .   ? 0.04707893 0.48542339 0.26774681 0.00886484  0.02738936  -0.06132583 473 HOH   A O    
2529 O  O    . HOH   F .   ? 0.21220718 0.46120125 0.37447560 -0.10686017 -0.01963576 -0.00733223 474 HOH   A O    
2530 O  O    . HOH   F .   ? 0.27690035 0.60382354 0.25269312 0.05235603  -0.01930361 0.02538407  475 HOH   A O    
2531 O  O    . HOH   F .   ? 0.07646679 0.38719481 0.23752797 0.02520127  0.02919991  0.00906670  476 HOH   A O    
2532 O  O    . HOH   F .   ? 0.22308712 0.59141052 0.54498506 -0.00649104 -0.02043635 -0.02211139 477 HOH   A O    
2533 O  O    . HOH   F .   ? 0.27797258 0.44002306 0.31020981 0.02810795  -0.03642382 -0.04598247 478 HOH   A O    
2534 O  O    . HOH   F .   ? 0.27275890 0.82741290 0.32418931 -0.20161310 -0.09528752 0.22839636  479 HOH   A O    
2535 O  O    . HOH   F .   ? 0.30019176 0.42875034 0.29220057 0.00167168  -0.04001347 0.05863432  480 HOH   A O    
2536 O  O    . HOH   F .   ? 0.21484426 0.59596854 0.33247322 0.10846595  -0.03522819 -0.12888344 481 HOH   A O    
2537 O  O    . HOH   F .   ? 0.06791028 0.43257779 0.34824520 0.02408876  -0.05610721 -0.06331317 482 HOH   A O    
2538 O  O    . HOH   F .   ? 0.29435962 0.49317497 0.52246583 -0.04196181 0.12022177  0.08018005  483 HOH   A O    
2539 O  O    . HOH   F .   ? 0.29685527 0.54396850 0.54580593 0.02717377  0.02265888  0.01075205  484 HOH   A O    
2540 O  O    . HOH   F .   ? 0.14988083 0.50195998 0.66782987 0.01077496  0.07520305  -0.04822043 485 HOH   A O    
2541 O  O    . HOH   F .   ? 0.20936683 0.70474285 0.48337495 -0.15866312 0.10766476  -0.15490302 486 HOH   A O    
2542 O  O    . HOH   F .   ? 0.30517453 0.46698952 0.25263011 -0.06372130 0.09219100  -0.06241872 487 HOH   A O    
2543 O  O    . HOH   F .   ? 0.24238755 0.43966359 0.55103970 0.05558433  -0.20030242 -0.03272093 488 HOH   A O    
2544 O  O    . HOH   F .   ? 0.08982697 0.43003535 0.15942717 0.10375229  -0.03118243 -0.01256255 489 HOH   A O    
2545 O  O    . HOH   F .   ? 0.08223922 0.49175066 0.34593534 -0.00372181 0.07144257  -0.08974610 490 HOH   A O    
2546 O  O    . HOH   F .   ? 0.38751537 0.42578179 0.40203214 0.06108377  -0.17589626 -0.09742623 491 HOH   A O    
2547 O  O    . HOH   F .   ? 0.29207402 0.50789535 0.51896095 -0.04562020 0.18141896  -0.07065062 492 HOH   A O    
2548 O  O    . HOH   F .   ? 0.06484012 0.52853066 0.30814254 0.00560682  -0.01497868 0.02852852  493 HOH   A O    
2549 O  O    . HOH   F .   ? 0.14993225 0.48137867 0.37090158 -0.00346589 -0.02124059 -0.07167496 494 HOH   A O    
2550 O  O    . HOH   F .   ? 0.44274539 0.48091602 0.39359021 -0.18303619 0.08974446  -0.01762939 495 HOH   A O    
2551 O  O    . HOH   F .   ? 0.61785871 0.53315377 0.41609794 0.21181619  0.22139135  0.11566852  496 HOH   A O    
2552 O  O    . HOH   F .   ? 0.34839231 0.72532940 0.42264479 0.12053916  -0.01507889 -0.04759921 497 HOH   A O    
2553 O  O    . HOH   F .   ? 0.11569682 0.44360042 0.36480492 -0.02426306 -0.03048345 0.01258966  498 HOH   A O    
2554 O  O    . HOH   F .   ? 0.35284346 0.60841829 0.45747799 0.03402674  0.10801443  -0.10053571 499 HOH   A O    
2555 O  O    . HOH   F .   ? 0.18056452 0.48465639 0.26985067 0.03956378  -0.01003641 -0.04948166 500 HOH   A O    
2556 O  O    . HOH   F .   ? 0.16780786 0.65634280 0.44654173 0.11916121  0.02748402  0.07370289  501 HOH   A O    
2557 O  O    . HOH   F .   ? 0.31001288 0.34540135 0.57204658 -0.00837575 -0.24630883 -0.02775105 502 HOH   A O    
# 
