data_8RRE
# 
_entry.id   8RRE 
# 
_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   8RRE         pdb_00008rre 10.2210/pdb8rre/pdb 
WWPDB D_1292136025 ?            ?                   
# 
_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                        8RRE 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              aengus.mac-sweeney@idorsia.com 
_pdbx_contact_author.name_first         Aengus 
_pdbx_contact_author.name_last          'Mac Sweeney' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7250-9541 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mac Sweeney, A.' 1 ? 
'Sager, C.'       2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Galectin-3 with a small molecule inhibitor' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Remen, L.'       1  ? 
primary 'Zumbrunn, C.'    2  ? 
primary 'Sager, C.P.'     3  ? 
primary 'Grisostomi, C.'  4  ? 
primary 'Mac Sweeney, A.' 5  ? 
primary 'Gatfield, J.'    6  ? 
primary 'Huehn, E.'       7  ? 
primary 'Vercauteren, E.' 8  ? 
primary 'Fournier, E.'    9  ? 
primary 'Schmidt, G.'     10 ? 
primary 'Davenport, R.'   11 ? 
primary 'Iglarz, M.'      12 ? 
primary 'Nayler, O.'      13 ? 
primary 'Bolli, M.H.'     14 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man Galectin-3 15701.049 1   ? ? ? ? 
2 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[1-(3-methyloxetan-3-yl)-1,2,3-triazol-4-yl]methyl]oxan-3-ol
;
526.921   1   ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    1   ? ? ? ? 
4 water       nat water 18.015    101 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[1-(3-methyloxetan-3-yl)-1,2,3-triazol-4-yl]methyl]oxan-3-ol
;
A1H2N 
3 'THIOCYANATE ION' SCN   
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   PRO n 
1 6   TYR n 
1 7   ASN n 
1 8   LEU n 
1 9   PRO n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  GLY n 
1 14  VAL n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  MET n 
1 19  LEU n 
1 20  ILE n 
1 21  THR n 
1 22  ILE n 
1 23  LEU n 
1 24  GLY n 
1 25  THR n 
1 26  VAL n 
1 27  LYS n 
1 28  PRO n 
1 29  ASN n 
1 30  ALA n 
1 31  ASN n 
1 32  ARG n 
1 33  ILE n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  PHE n 
1 38  GLN n 
1 39  ARG n 
1 40  GLY n 
1 41  ASN n 
1 42  ASP n 
1 43  VAL n 
1 44  ALA n 
1 45  PHE n 
1 46  HIS n 
1 47  PHE n 
1 48  ASN n 
1 49  PRO n 
1 50  ARG n 
1 51  PHE n 
1 52  ASN n 
1 53  GLU n 
1 54  ASN n 
1 55  ASN n 
1 56  ARG n 
1 57  ARG n 
1 58  VAL n 
1 59  ILE n 
1 60  VAL n 
1 61  CYS n 
1 62  ASN n 
1 63  THR n 
1 64  LYS n 
1 65  LEU n 
1 66  ASP n 
1 67  ASN n 
1 68  ASN n 
1 69  TRP n 
1 70  GLY n 
1 71  ARG n 
1 72  GLU n 
1 73  GLU n 
1 74  ARG n 
1 75  GLN n 
1 76  SER n 
1 77  VAL n 
1 78  PHE n 
1 79  PRO n 
1 80  PHE n 
1 81  GLU n 
1 82  SER n 
1 83  GLY n 
1 84  LYS n 
1 85  PRO n 
1 86  PHE n 
1 87  LYS n 
1 88  ILE n 
1 89  GLN n 
1 90  VAL n 
1 91  LEU n 
1 92  VAL n 
1 93  GLU n 
1 94  PRO n 
1 95  ASP n 
1 96  HIS n 
1 97  PHE n 
1 98  LYS n 
1 99  VAL n 
1 100 ALA n 
1 101 VAL n 
1 102 ASN n 
1 103 ASP n 
1 104 ALA n 
1 105 HIS n 
1 106 LEU n 
1 107 LEU n 
1 108 GLN n 
1 109 TYR n 
1 110 ASN n 
1 111 HIS n 
1 112 ARG n 
1 113 VAL n 
1 114 LYS n 
1 115 LYS n 
1 116 LEU n 
1 117 ASN n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 LYS n 
1 122 LEU n 
1 123 GLY n 
1 124 ILE n 
1 125 SER n 
1 126 GLY n 
1 127 ASP n 
1 128 ILE n 
1 129 ASP n 
1 130 LEU n 
1 131 THR n 
1 132 SER n 
1 133 ALA n 
1 134 SER n 
1 135 TYR n 
1 136 THR n 
1 137 MET n 
1 138 ILE n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   138 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H2N 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]-2-(hydroxymethyl)-5-methoxy-6-[[1-(3-methyloxetan-3-yl)-1,2,3-triazol-4-yl]methyl]oxan-3-ol
;
? 'C22 H25 Cl F2 N6 O5' 526.921 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'          89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'      175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'         132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'          133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'        121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'        146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'          147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'          75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'      156.162 
HOH   non-polymer         . WATER ? 'H2 O'                18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'         131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'         131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'      147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'       149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'         165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'          115.130 
SCN   non-polymer         . 'THIOCYANATE ION' ? 'C N S -1'            58.082  
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'          105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'          119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'       204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'         181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'         117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   PRO 1   113 113 PRO PRO A . n 
A 1 2   LEU 2   114 114 LEU LEU A . n 
A 1 3   ILE 3   115 115 ILE ILE A . n 
A 1 4   VAL 4   116 116 VAL VAL A . n 
A 1 5   PRO 5   117 117 PRO PRO A . n 
A 1 6   TYR 6   118 118 TYR TYR A . n 
A 1 7   ASN 7   119 119 ASN ASN A . n 
A 1 8   LEU 8   120 120 LEU LEU A . n 
A 1 9   PRO 9   121 121 PRO PRO A . n 
A 1 10  LEU 10  122 122 LEU LEU A . n 
A 1 11  PRO 11  123 123 PRO PRO A . n 
A 1 12  GLY 12  124 124 GLY GLY A . n 
A 1 13  GLY 13  125 125 GLY GLY A . n 
A 1 14  VAL 14  126 126 VAL VAL A . n 
A 1 15  VAL 15  127 127 VAL VAL A . n 
A 1 16  PRO 16  128 128 PRO PRO A . n 
A 1 17  ARG 17  129 129 ARG ARG A . n 
A 1 18  MET 18  130 130 MET MET A . n 
A 1 19  LEU 19  131 131 LEU LEU A . n 
A 1 20  ILE 20  132 132 ILE ILE A . n 
A 1 21  THR 21  133 133 THR THR A . n 
A 1 22  ILE 22  134 134 ILE ILE A . n 
A 1 23  LEU 23  135 135 LEU LEU A . n 
A 1 24  GLY 24  136 136 GLY GLY A . n 
A 1 25  THR 25  137 137 THR THR A . n 
A 1 26  VAL 26  138 138 VAL VAL A . n 
A 1 27  LYS 27  139 139 LYS LYS A . n 
A 1 28  PRO 28  140 140 PRO PRO A . n 
A 1 29  ASN 29  141 141 ASN ASN A . n 
A 1 30  ALA 30  142 142 ALA ALA A . n 
A 1 31  ASN 31  143 143 ASN ASN A . n 
A 1 32  ARG 32  144 144 ARG ARG A . n 
A 1 33  ILE 33  145 145 ILE ILE A . n 
A 1 34  ALA 34  146 146 ALA ALA A . n 
A 1 35  LEU 35  147 147 LEU LEU A . n 
A 1 36  ASP 36  148 148 ASP ASP A . n 
A 1 37  PHE 37  149 149 PHE PHE A . n 
A 1 38  GLN 38  150 150 GLN GLN A . n 
A 1 39  ARG 39  151 151 ARG ARG A . n 
A 1 40  GLY 40  152 152 GLY GLY A . n 
A 1 41  ASN 41  153 153 ASN ASN A . n 
A 1 42  ASP 42  154 154 ASP ASP A . n 
A 1 43  VAL 43  155 155 VAL VAL A . n 
A 1 44  ALA 44  156 156 ALA ALA A . n 
A 1 45  PHE 45  157 157 PHE PHE A . n 
A 1 46  HIS 46  158 158 HIS HIS A . n 
A 1 47  PHE 47  159 159 PHE PHE A . n 
A 1 48  ASN 48  160 160 ASN ASN A . n 
A 1 49  PRO 49  161 161 PRO PRO A . n 
A 1 50  ARG 50  162 162 ARG ARG A . n 
A 1 51  PHE 51  163 163 PHE PHE A . n 
A 1 52  ASN 52  164 164 ASN ASN A . n 
A 1 53  GLU 53  165 165 GLU GLU A . n 
A 1 54  ASN 54  166 166 ASN ASN A . n 
A 1 55  ASN 55  167 167 ASN ASN A . n 
A 1 56  ARG 56  168 168 ARG ARG A . n 
A 1 57  ARG 57  169 169 ARG ARG A . n 
A 1 58  VAL 58  170 170 VAL VAL A . n 
A 1 59  ILE 59  171 171 ILE ILE A . n 
A 1 60  VAL 60  172 172 VAL VAL A . n 
A 1 61  CYS 61  173 173 CYS CYS A . n 
A 1 62  ASN 62  174 174 ASN ASN A . n 
A 1 63  THR 63  175 175 THR THR A . n 
A 1 64  LYS 64  176 176 LYS LYS A . n 
A 1 65  LEU 65  177 177 LEU LEU A . n 
A 1 66  ASP 66  178 178 ASP ASP A . n 
A 1 67  ASN 67  179 179 ASN ASN A . n 
A 1 68  ASN 68  180 180 ASN ASN A . n 
A 1 69  TRP 69  181 181 TRP TRP A . n 
A 1 70  GLY 70  182 182 GLY GLY A . n 
A 1 71  ARG 71  183 183 ARG ARG A . n 
A 1 72  GLU 72  184 184 GLU GLU A . n 
A 1 73  GLU 73  185 185 GLU GLU A . n 
A 1 74  ARG 74  186 186 ARG ARG A . n 
A 1 75  GLN 75  187 187 GLN GLN A . n 
A 1 76  SER 76  188 188 SER SER A . n 
A 1 77  VAL 77  189 189 VAL VAL A . n 
A 1 78  PHE 78  190 190 PHE PHE A . n 
A 1 79  PRO 79  191 191 PRO PRO A . n 
A 1 80  PHE 80  192 192 PHE PHE A . n 
A 1 81  GLU 81  193 193 GLU GLU A . n 
A 1 82  SER 82  194 194 SER SER A . n 
A 1 83  GLY 83  195 195 GLY GLY A . n 
A 1 84  LYS 84  196 196 LYS LYS A . n 
A 1 85  PRO 85  197 197 PRO PRO A . n 
A 1 86  PHE 86  198 198 PHE PHE A . n 
A 1 87  LYS 87  199 199 LYS LYS A . n 
A 1 88  ILE 88  200 200 ILE ILE A . n 
A 1 89  GLN 89  201 201 GLN GLN A . n 
A 1 90  VAL 90  202 202 VAL VAL A . n 
A 1 91  LEU 91  203 203 LEU LEU A . n 
A 1 92  VAL 92  204 204 VAL VAL A . n 
A 1 93  GLU 93  205 205 GLU GLU A . n 
A 1 94  PRO 94  206 206 PRO PRO A . n 
A 1 95  ASP 95  207 207 ASP ASP A . n 
A 1 96  HIS 96  208 208 HIS HIS A . n 
A 1 97  PHE 97  209 209 PHE PHE A . n 
A 1 98  LYS 98  210 210 LYS LYS A . n 
A 1 99  VAL 99  211 211 VAL VAL A . n 
A 1 100 ALA 100 212 212 ALA ALA A . n 
A 1 101 VAL 101 213 213 VAL VAL A . n 
A 1 102 ASN 102 214 214 ASN ASN A . n 
A 1 103 ASP 103 215 215 ASP ASP A . n 
A 1 104 ALA 104 216 216 ALA ALA A . n 
A 1 105 HIS 105 217 217 HIS HIS A . n 
A 1 106 LEU 106 218 218 LEU LEU A . n 
A 1 107 LEU 107 219 219 LEU LEU A . n 
A 1 108 GLN 108 220 220 GLN GLN A . n 
A 1 109 TYR 109 221 221 TYR TYR A . n 
A 1 110 ASN 110 222 222 ASN ASN A . n 
A 1 111 HIS 111 223 223 HIS HIS A . n 
A 1 112 ARG 112 224 224 ARG ARG A . n 
A 1 113 VAL 113 225 225 VAL VAL A . n 
A 1 114 LYS 114 226 226 LYS LYS A . n 
A 1 115 LYS 115 227 227 LYS LYS A . n 
A 1 116 LEU 116 228 228 LEU LEU A . n 
A 1 117 ASN 117 229 229 ASN ASN A . n 
A 1 118 GLU 118 230 230 GLU GLU A . n 
A 1 119 ILE 119 231 231 ILE ILE A . n 
A 1 120 SER 120 232 232 SER SER A . n 
A 1 121 LYS 121 233 233 LYS LYS A . n 
A 1 122 LEU 122 234 234 LEU LEU A . n 
A 1 123 GLY 123 235 235 GLY GLY A . n 
A 1 124 ILE 124 236 236 ILE ILE A . n 
A 1 125 SER 125 237 237 SER SER A . n 
A 1 126 GLY 126 238 238 GLY GLY A . n 
A 1 127 ASP 127 239 239 ASP ASP A . n 
A 1 128 ILE 128 240 240 ILE ILE A . n 
A 1 129 ASP 129 241 241 ASP ASP A . n 
A 1 130 LEU 130 242 242 LEU LEU A . n 
A 1 131 THR 131 243 243 THR THR A . n 
A 1 132 SER 132 244 244 SER SER A . n 
A 1 133 ALA 133 245 245 ALA ALA A . n 
A 1 134 SER 134 246 246 SER SER A . n 
A 1 135 TYR 135 247 247 TYR TYR A . n 
A 1 136 THR 136 248 248 THR THR A . n 
A 1 137 MET 137 249 249 MET MET A . n 
A 1 138 ILE 138 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H2N 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2N 
_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 A1H2N 1   301 301 A1H2N LIG A . 
C 3 SCN   1   302 302 SCN   SCN A . 
D 4 HOH   1   401 76  HOH   HOH A . 
D 4 HOH   2   402 111 HOH   HOH A . 
D 4 HOH   3   403 91  HOH   HOH A . 
D 4 HOH   4   404 9   HOH   HOH A . 
D 4 HOH   5   405 69  HOH   HOH A . 
D 4 HOH   6   406 82  HOH   HOH A . 
D 4 HOH   7   407 55  HOH   HOH A . 
D 4 HOH   8   408 78  HOH   HOH A . 
D 4 HOH   9   409 93  HOH   HOH A . 
D 4 HOH   10  410 26  HOH   HOH A . 
D 4 HOH   11  411 14  HOH   HOH A . 
D 4 HOH   12  412 34  HOH   HOH A . 
D 4 HOH   13  413 23  HOH   HOH A . 
D 4 HOH   14  414 5   HOH   HOH A . 
D 4 HOH   15  415 19  HOH   HOH A . 
D 4 HOH   16  416 101 HOH   HOH A . 
D 4 HOH   17  417 27  HOH   HOH A . 
D 4 HOH   18  418 67  HOH   HOH A . 
D 4 HOH   19  419 21  HOH   HOH A . 
D 4 HOH   20  420 38  HOH   HOH A . 
D 4 HOH   21  421 13  HOH   HOH A . 
D 4 HOH   22  422 57  HOH   HOH A . 
D 4 HOH   23  423 6   HOH   HOH A . 
D 4 HOH   24  424 96  HOH   HOH A . 
D 4 HOH   25  425 8   HOH   HOH A . 
D 4 HOH   26  426 29  HOH   HOH A . 
D 4 HOH   27  427 25  HOH   HOH A . 
D 4 HOH   28  428 40  HOH   HOH A . 
D 4 HOH   29  429 22  HOH   HOH A . 
D 4 HOH   30  430 32  HOH   HOH A . 
D 4 HOH   31  431 15  HOH   HOH A . 
D 4 HOH   32  432 72  HOH   HOH A . 
D 4 HOH   33  433 60  HOH   HOH A . 
D 4 HOH   34  434 112 HOH   HOH A . 
D 4 HOH   35  435 105 HOH   HOH A . 
D 4 HOH   36  436 114 HOH   HOH A . 
D 4 HOH   37  437 42  HOH   HOH A . 
D 4 HOH   38  438 58  HOH   HOH A . 
D 4 HOH   39  439 39  HOH   HOH A . 
D 4 HOH   40  440 89  HOH   HOH A . 
D 4 HOH   41  441 52  HOH   HOH A . 
D 4 HOH   42  442 104 HOH   HOH A . 
D 4 HOH   43  443 7   HOH   HOH A . 
D 4 HOH   44  444 81  HOH   HOH A . 
D 4 HOH   45  445 61  HOH   HOH A . 
D 4 HOH   46  446 94  HOH   HOH A . 
D 4 HOH   47  447 107 HOH   HOH A . 
D 4 HOH   48  448 1   HOH   HOH A . 
D 4 HOH   49  449 53  HOH   HOH A . 
D 4 HOH   50  450 11  HOH   HOH A . 
D 4 HOH   51  451 64  HOH   HOH A . 
D 4 HOH   52  452 56  HOH   HOH A . 
D 4 HOH   53  453 36  HOH   HOH A . 
D 4 HOH   54  454 4   HOH   HOH A . 
D 4 HOH   55  455 37  HOH   HOH A . 
D 4 HOH   56  456 74  HOH   HOH A . 
D 4 HOH   57  457 17  HOH   HOH A . 
D 4 HOH   58  458 18  HOH   HOH A . 
D 4 HOH   59  459 16  HOH   HOH A . 
D 4 HOH   60  460 28  HOH   HOH A . 
D 4 HOH   61  461 3   HOH   HOH A . 
D 4 HOH   62  462 68  HOH   HOH A . 
D 4 HOH   63  463 35  HOH   HOH A . 
D 4 HOH   64  464 71  HOH   HOH A . 
D 4 HOH   65  465 2   HOH   HOH A . 
D 4 HOH   66  466 50  HOH   HOH A . 
D 4 HOH   67  467 20  HOH   HOH A . 
D 4 HOH   68  468 31  HOH   HOH A . 
D 4 HOH   69  469 106 HOH   HOH A . 
D 4 HOH   70  470 80  HOH   HOH A . 
D 4 HOH   71  471 79  HOH   HOH A . 
D 4 HOH   72  472 65  HOH   HOH A . 
D 4 HOH   73  473 113 HOH   HOH A . 
D 4 HOH   74  474 12  HOH   HOH A . 
D 4 HOH   75  475 48  HOH   HOH A . 
D 4 HOH   76  476 66  HOH   HOH A . 
D 4 HOH   77  477 44  HOH   HOH A . 
D 4 HOH   78  478 41  HOH   HOH A . 
D 4 HOH   79  479 88  HOH   HOH A . 
D 4 HOH   80  480 75  HOH   HOH A . 
D 4 HOH   81  481 51  HOH   HOH A . 
D 4 HOH   82  482 47  HOH   HOH A . 
D 4 HOH   83  483 63  HOH   HOH A . 
D 4 HOH   84  484 43  HOH   HOH A . 
D 4 HOH   85  485 98  HOH   HOH A . 
D 4 HOH   86  486 62  HOH   HOH A . 
D 4 HOH   87  487 102 HOH   HOH A . 
D 4 HOH   88  488 97  HOH   HOH A . 
D 4 HOH   89  489 30  HOH   HOH A . 
D 4 HOH   90  490 109 HOH   HOH A . 
D 4 HOH   91  491 95  HOH   HOH A . 
D 4 HOH   92  492 84  HOH   HOH A . 
D 4 HOH   93  493 33  HOH   HOH A . 
D 4 HOH   94  494 24  HOH   HOH A . 
D 4 HOH   95  495 46  HOH   HOH A . 
D 4 HOH   96  496 90  HOH   HOH A . 
D 4 HOH   97  497 83  HOH   HOH A . 
D 4 HOH   98  498 86  HOH   HOH A . 
D 4 HOH   99  499 59  HOH   HOH A . 
D 4 HOH   100 500 73  HOH   HOH A . 
D 4 HOH   101 501 45  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 210 ? CD ? A LYS 98 CD 
2 1 Y 1 A LYS 210 ? CE ? A LYS 98 CE 
3 1 Y 1 A LYS 210 ? NZ ? A LYS 98 NZ 
# 
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                     8RRE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.518 
_cell.length_a_esd                 ? 
_cell.length_b                     57.531 
_cell.length_b_esd                 ? 
_cell.length_c                     62.116 
_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                         8RRE 
_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                   8RRE 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.96 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.38 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '2.1 M DL-Malic acid 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         2021-06-28 
_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                                       8RRE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.208 
_reflns.d_resolution_low                               42.209 
_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                                     72732 
_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                           98.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.94 
_reflns.pdbx_netI_over_av_sigmaI                       8.27 
_reflns.pdbx_netI_over_sigmaI                          0.083 
_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                                ? 
_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                                    1.208 
_reflns_shell.d_res_low                                     1.280 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.58 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             11467 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               2.20 
_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                                  0.185 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -1.757 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.217 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            1.540 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.881 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.978 
_refine.correlation_coeff_Fo_to_Fc_free          0.974 
_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                                 8RRE 
_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                            1.208 
_refine.ls_d_res_low                             42.208 
_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                     38490 
_refine.ls_number_reflns_R_free                  1906 
_refine.ls_number_reflns_R_work                  36584 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.427 
_refine.ls_percent_reflns_R_free                 4.952 
_refine.ls_R_factor_all                          0.158 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1882 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1561 
_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                       0.044 
_refine.pdbx_overall_ESU_R_Free                  0.044 
_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                             2.438 
_refine.overall_SU_ML                            0.044 
_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        1105 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.number_atoms_solvent             101 
_refine_hist.number_atoms_total               1245 
_refine_hist.d_res_high                       1.208 
_refine_hist.d_res_low                        42.208 
# 
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' ? 0.010  0.012  1228 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1166 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.650  1.830  1679 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.631  1.809  2678 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.279  5.000  148  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 6.343  5.000  11   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.947 10.000 199  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.128 10.000 60   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.092  0.200  177  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.017  0.200  1    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1477 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  301  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.210  0.200  158  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  997  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  552  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  632  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.155  0.200  59   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.189  0.200  9    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.154  0.200  45   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  16   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 4.503  1.554  578  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.492  1.551  577  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 6.367  2.799  727  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 6.368  2.801  728  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.454  1.883  650  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.441  1.882  650  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 9.298  3.327  949  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 9.290  3.323  949  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 12.927 20.512 1241 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 12.088 18.764 1220 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.711  3.000  2394 ? 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' 1.208 1.239  2828 . 122 2504 92.8571  . 0.376 . . 0.378 . . . . . 0.393 . 20 . 0.881 0.898 0.336 
'X-RAY DIFFRACTION' 1.239 1.273  2742 . 132 2610 100.0000 . 0.321 . . 0.321 . . . . . 0.320 . 20 . 0.923 0.924 0.329 
'X-RAY DIFFRACTION' 1.273 1.310  2657 . 129 2528 100.0000 . 0.320 . . 0.319 . . . . . 0.318 . 20 . 0.933 0.878 0.327 
'X-RAY DIFFRACTION' 1.310 1.350  2599 . 114 2485 100.0000 . 0.284 . . 0.285 . . . . . 0.282 . 20 . 0.941 0.944 0.269 
'X-RAY DIFFRACTION' 1.350 1.394  2540 . 95  2445 100.0000 . 0.270 . . 0.267 . . . . . 0.262 . 20 . 0.951 0.930 0.332 
'X-RAY DIFFRACTION' 1.394 1.443  2439 . 126 2313 100.0000 . 0.226 . . 0.223 . . . . . 0.211 . 20 . 0.966 0.945 0.282 
'X-RAY DIFFRACTION' 1.443 1.498  2356 . 136 2220 100.0000 . 0.192 . . 0.189 . . . . . 0.170 . 20 . 0.977 0.953 0.239 
'X-RAY DIFFRACTION' 1.498 1.559  2279 . 119 2160 100.0000 . 0.152 . . 0.149 . . . . . 0.125 . 20 . 0.987 0.972 0.218 
'X-RAY DIFFRACTION' 1.559 1.628  2181 . 130 2051 100.0000 . 0.123 . . 0.120 . . . . . 0.097 . 20 . 0.991 0.982 0.162 
'X-RAY DIFFRACTION' 1.628 1.707  2077 . 100 1977 100.0000 . 0.128 . . 0.126 . . . . . 0.101 . 20 . 0.991 0.981 0.165 
'X-RAY DIFFRACTION' 1.707 1.800  2014 . 99  1915 100.0000 . 0.109 . . 0.107 . . . . . 0.085 . 20 . 0.993 0.987 0.144 
'X-RAY DIFFRACTION' 1.800 1.908  1888 . 92  1795 99.9470  . 0.115 . . 0.112 . . . . . 0.092 . 20 . 0.993 0.983 0.178 
'X-RAY DIFFRACTION' 1.908 2.040  1790 . 93  1696 99.9441  . 0.112 . . 0.110 . . . . . 0.095 . 20 . 0.994 0.986 0.151 
'X-RAY DIFFRACTION' 2.040 2.203  1654 . 98  1555 99.9395  . 0.115 . . 0.112 . . . . . 0.099 . 20 . 0.993 0.987 0.166 
'X-RAY DIFFRACTION' 2.203 2.413  1561 . 84  1475 99.8719  . 0.131 . . 0.128 . . . . . 0.116 . 20 . 0.990 0.974 0.194 
'X-RAY DIFFRACTION' 2.413 2.696  1406 . 73  1332 99.9289  . 0.145 . . 0.142 . . . . . 0.131 . 20 . 0.988 0.976 0.198 
'X-RAY DIFFRACTION' 2.696 3.111  1255 . 49  1204 99.8406  . 0.150 . . 0.147 . . . . . 0.145 . 20 . 0.986 0.973 0.220 
'X-RAY DIFFRACTION' 3.111 3.805  1074 . 59  1013 99.8138  . 0.144 . . 0.142 . . . . . 0.151 . 20 . 0.987 0.983 0.163 
'X-RAY DIFFRACTION' 3.805 5.360  845  . 34  809  99.7633  . 0.139 . . 0.140 . . . . . 0.156 . 20 . 0.988 0.989 0.120 
'X-RAY DIFFRACTION' 5.360 42.208 520  . 22  497  99.8077  . 0.214 . . 0.215 . . . . . 0.251 . 20 . 0.973 0.970 0.193 
# 
_struct.entry_id                     8RRE 
_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        8RRE 
_struct_keywords.text            'Inhibitor, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RRE 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 138 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  113 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  250 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       113 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 210  ? 
1 MORE         -3   ? 
1 'SSA (A^2)'  7320 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        115 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        119 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    5 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     117 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.73 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA1 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA1 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA1 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA1 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA1 6 ASN A 68  ? TRP A 69  ? ASN A 180 TRP A 181 
AA2 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA2 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA2 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA2 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA2 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA2 6 GLU A 73  ? GLN A 75  ? GLU A 185 GLN A 187 
AA3 1 ALA A 104 ? ASN A 110 ? ALA A 216 ASN A 222 
AA3 2 HIS A 96  ? VAL A 101 ? HIS A 208 VAL A 213 
AA3 3 PRO A 85  ? VAL A 92  ? PRO A 197 VAL A 204 
AA3 4 MET A 18  ? VAL A 26  ? MET A 130 VAL A 138 
AA3 5 ILE A 128 ? MET A 137 ? ILE A 240 MET A 249 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA1 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA1 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA1 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA1 5 6 N LEU A 65  ? N LEU A 177 O ASN A 68  ? O ASN A 180 
AA2 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA2 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 106 ? O LEU A 218 N VAL A 99  ? N VAL A 211 
AA3 2 3 O ALA A 100 ? O ALA A 212 N GLN A 89  ? N GLN A 201 
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                   8RRE 
_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 ? ? 88.58   0.66  
2 1 ASN A 164 ? ? -151.95 71.76 
# 
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 
A1H2N N1   N  Y N 1   
A1H2N N3   N  Y N 2   
A1H2N C4   C  N N 3   
A1H2N C5   C  Y N 4   
A1H2N C6   C  N N 5   
A1H2N C7   C  N R 6   
A1H2N C8   C  N R 7   
A1H2N C10  C  Y N 8   
A1H2N C13  C  Y N 9   
A1H2N C15  C  Y N 10  
A1H2N C17  C  Y N 11  
A1H2N C20  C  N N 12  
A1H2N C21  C  N R 13  
A1H2N C22  C  Y N 14  
A1H2N C1   C  N N 15  
A1H2N C2   C  N N 16  
A1H2N C3   C  N N 17  
A1H2N O1   O  N N 18  
A1H2N N2   N  Y N 19  
A1H2N C9   C  N S 20  
A1H2N N4   N  Y N 21  
A1H2N N5   N  Y N 22  
A1H2N N6   N  Y N 23  
A1H2N C11  C  Y N 24  
A1H2N C12  C  Y N 25  
A1H2N C14  C  Y N 26  
A1H2N CL1  CL N N 27  
A1H2N F1   F  N N 28  
A1H2N C16  C  Y N 29  
A1H2N F2   F  N N 30  
A1H2N O2   O  N N 31  
A1H2N C18  C  N N 32  
A1H2N O3   O  N N 33  
A1H2N C19  C  N R 34  
A1H2N O4   O  N N 35  
A1H2N O5   O  N N 36  
A1H2N H7   H  N N 37  
A1H2N H6   H  N N 38  
A1H2N H8   H  N N 39  
A1H2N H9   H  N N 40  
A1H2N H10  H  N N 41  
A1H2N H11  H  N N 42  
A1H2N H14  H  N N 43  
A1H2N H15  H  N N 44  
A1H2N H20  H  N N 45  
A1H2N H21  H  N N 46  
A1H2N H23  H  N N 47  
A1H2N H25  H  N N 48  
A1H2N H1   H  N N 49  
A1H2N H2   H  N N 50  
A1H2N H3   H  N N 51  
A1H2N H5   H  N N 52  
A1H2N H4   H  N N 53  
A1H2N H12  H  N N 54  
A1H2N H13  H  N N 55  
A1H2N H17  H  N N 56  
A1H2N H18  H  N N 57  
A1H2N H16  H  N N 58  
A1H2N H19  H  N N 59  
A1H2N H22  H  N N 60  
A1H2N H24  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
CYS   N    N  N N 135 
CYS   CA   C  N R 136 
CYS   C    C  N N 137 
CYS   O    O  N N 138 
CYS   CB   C  N N 139 
CYS   SG   S  N N 140 
CYS   OXT  O  N N 141 
CYS   H    H  N N 142 
CYS   H2   H  N N 143 
CYS   HA   H  N N 144 
CYS   HB2  H  N N 145 
CYS   HB3  H  N N 146 
CYS   HG   H  N N 147 
CYS   HXT  H  N N 148 
GLN   N    N  N N 149 
GLN   CA   C  N S 150 
GLN   C    C  N N 151 
GLN   O    O  N N 152 
GLN   CB   C  N N 153 
GLN   CG   C  N N 154 
GLN   CD   C  N N 155 
GLN   OE1  O  N N 156 
GLN   NE2  N  N N 157 
GLN   OXT  O  N N 158 
GLN   H    H  N N 159 
GLN   H2   H  N N 160 
GLN   HA   H  N N 161 
GLN   HB2  H  N N 162 
GLN   HB3  H  N N 163 
GLN   HG2  H  N N 164 
GLN   HG3  H  N N 165 
GLN   HE21 H  N N 166 
GLN   HE22 H  N N 167 
GLN   HXT  H  N N 168 
GLU   N    N  N N 169 
GLU   CA   C  N S 170 
GLU   C    C  N N 171 
GLU   O    O  N N 172 
GLU   CB   C  N N 173 
GLU   CG   C  N N 174 
GLU   CD   C  N N 175 
GLU   OE1  O  N N 176 
GLU   OE2  O  N N 177 
GLU   OXT  O  N N 178 
GLU   H    H  N N 179 
GLU   H2   H  N N 180 
GLU   HA   H  N N 181 
GLU   HB2  H  N N 182 
GLU   HB3  H  N N 183 
GLU   HG2  H  N N 184 
GLU   HG3  H  N N 185 
GLU   HE2  H  N N 186 
GLU   HXT  H  N N 187 
GLY   N    N  N N 188 
GLY   CA   C  N N 189 
GLY   C    C  N N 190 
GLY   O    O  N N 191 
GLY   OXT  O  N N 192 
GLY   H    H  N N 193 
GLY   H2   H  N N 194 
GLY   HA2  H  N N 195 
GLY   HA3  H  N N 196 
GLY   HXT  H  N N 197 
HIS   N    N  N N 198 
HIS   CA   C  N S 199 
HIS   C    C  N N 200 
HIS   O    O  N N 201 
HIS   CB   C  N N 202 
HIS   CG   C  Y N 203 
HIS   ND1  N  Y N 204 
HIS   CD2  C  Y N 205 
HIS   CE1  C  Y N 206 
HIS   NE2  N  Y N 207 
HIS   OXT  O  N N 208 
HIS   H    H  N N 209 
HIS   H2   H  N N 210 
HIS   HA   H  N N 211 
HIS   HB2  H  N N 212 
HIS   HB3  H  N N 213 
HIS   HD1  H  N N 214 
HIS   HD2  H  N N 215 
HIS   HE1  H  N N 216 
HIS   HE2  H  N N 217 
HIS   HXT  H  N N 218 
HOH   O    O  N N 219 
HOH   H1   H  N N 220 
HOH   H2   H  N N 221 
ILE   N    N  N N 222 
ILE   CA   C  N S 223 
ILE   C    C  N N 224 
ILE   O    O  N N 225 
ILE   CB   C  N S 226 
ILE   CG1  C  N N 227 
ILE   CG2  C  N N 228 
ILE   CD1  C  N N 229 
ILE   OXT  O  N N 230 
ILE   H    H  N N 231 
ILE   H2   H  N N 232 
ILE   HA   H  N N 233 
ILE   HB   H  N N 234 
ILE   HG12 H  N N 235 
ILE   HG13 H  N N 236 
ILE   HG21 H  N N 237 
ILE   HG22 H  N N 238 
ILE   HG23 H  N N 239 
ILE   HD11 H  N N 240 
ILE   HD12 H  N N 241 
ILE   HD13 H  N N 242 
ILE   HXT  H  N N 243 
LEU   N    N  N N 244 
LEU   CA   C  N S 245 
LEU   C    C  N N 246 
LEU   O    O  N N 247 
LEU   CB   C  N N 248 
LEU   CG   C  N N 249 
LEU   CD1  C  N N 250 
LEU   CD2  C  N N 251 
LEU   OXT  O  N N 252 
LEU   H    H  N N 253 
LEU   H2   H  N N 254 
LEU   HA   H  N N 255 
LEU   HB2  H  N N 256 
LEU   HB3  H  N N 257 
LEU   HG   H  N N 258 
LEU   HD11 H  N N 259 
LEU   HD12 H  N N 260 
LEU   HD13 H  N N 261 
LEU   HD21 H  N N 262 
LEU   HD22 H  N N 263 
LEU   HD23 H  N N 264 
LEU   HXT  H  N N 265 
LYS   N    N  N N 266 
LYS   CA   C  N S 267 
LYS   C    C  N N 268 
LYS   O    O  N N 269 
LYS   CB   C  N N 270 
LYS   CG   C  N N 271 
LYS   CD   C  N N 272 
LYS   CE   C  N N 273 
LYS   NZ   N  N N 274 
LYS   OXT  O  N N 275 
LYS   H    H  N N 276 
LYS   H2   H  N N 277 
LYS   HA   H  N N 278 
LYS   HB2  H  N N 279 
LYS   HB3  H  N N 280 
LYS   HG2  H  N N 281 
LYS   HG3  H  N N 282 
LYS   HD2  H  N N 283 
LYS   HD3  H  N N 284 
LYS   HE2  H  N N 285 
LYS   HE3  H  N N 286 
LYS   HZ1  H  N N 287 
LYS   HZ2  H  N N 288 
LYS   HZ3  H  N N 289 
LYS   HXT  H  N N 290 
MET   N    N  N N 291 
MET   CA   C  N S 292 
MET   C    C  N N 293 
MET   O    O  N N 294 
MET   CB   C  N N 295 
MET   CG   C  N N 296 
MET   SD   S  N N 297 
MET   CE   C  N N 298 
MET   OXT  O  N N 299 
MET   H    H  N N 300 
MET   H2   H  N N 301 
MET   HA   H  N N 302 
MET   HB2  H  N N 303 
MET   HB3  H  N N 304 
MET   HG2  H  N N 305 
MET   HG3  H  N N 306 
MET   HE1  H  N N 307 
MET   HE2  H  N N 308 
MET   HE3  H  N N 309 
MET   HXT  H  N N 310 
PHE   N    N  N N 311 
PHE   CA   C  N S 312 
PHE   C    C  N N 313 
PHE   O    O  N N 314 
PHE   CB   C  N N 315 
PHE   CG   C  Y N 316 
PHE   CD1  C  Y N 317 
PHE   CD2  C  Y N 318 
PHE   CE1  C  Y N 319 
PHE   CE2  C  Y N 320 
PHE   CZ   C  Y N 321 
PHE   OXT  O  N N 322 
PHE   H    H  N N 323 
PHE   H2   H  N N 324 
PHE   HA   H  N N 325 
PHE   HB2  H  N N 326 
PHE   HB3  H  N N 327 
PHE   HD1  H  N N 328 
PHE   HD2  H  N N 329 
PHE   HE1  H  N N 330 
PHE   HE2  H  N N 331 
PHE   HZ   H  N N 332 
PHE   HXT  H  N N 333 
PRO   N    N  N N 334 
PRO   CA   C  N S 335 
PRO   C    C  N N 336 
PRO   O    O  N N 337 
PRO   CB   C  N N 338 
PRO   CG   C  N N 339 
PRO   CD   C  N N 340 
PRO   OXT  O  N N 341 
PRO   H    H  N N 342 
PRO   HA   H  N N 343 
PRO   HB2  H  N N 344 
PRO   HB3  H  N N 345 
PRO   HG2  H  N N 346 
PRO   HG3  H  N N 347 
PRO   HD2  H  N N 348 
PRO   HD3  H  N N 349 
PRO   HXT  H  N N 350 
SCN   S    S  N N 351 
SCN   C    C  N N 352 
SCN   N    N  N N 353 
SER   N    N  N N 354 
SER   CA   C  N S 355 
SER   C    C  N N 356 
SER   O    O  N N 357 
SER   CB   C  N N 358 
SER   OG   O  N N 359 
SER   OXT  O  N N 360 
SER   H    H  N N 361 
SER   H2   H  N N 362 
SER   HA   H  N N 363 
SER   HB2  H  N N 364 
SER   HB3  H  N N 365 
SER   HG   H  N N 366 
SER   HXT  H  N N 367 
THR   N    N  N N 368 
THR   CA   C  N S 369 
THR   C    C  N N 370 
THR   O    O  N N 371 
THR   CB   C  N R 372 
THR   OG1  O  N N 373 
THR   CG2  C  N N 374 
THR   OXT  O  N N 375 
THR   H    H  N N 376 
THR   H2   H  N N 377 
THR   HA   H  N N 378 
THR   HB   H  N N 379 
THR   HG1  H  N N 380 
THR   HG21 H  N N 381 
THR   HG22 H  N N 382 
THR   HG23 H  N N 383 
THR   HXT  H  N N 384 
TRP   N    N  N N 385 
TRP   CA   C  N S 386 
TRP   C    C  N N 387 
TRP   O    O  N N 388 
TRP   CB   C  N N 389 
TRP   CG   C  Y N 390 
TRP   CD1  C  Y N 391 
TRP   CD2  C  Y N 392 
TRP   NE1  N  Y N 393 
TRP   CE2  C  Y N 394 
TRP   CE3  C  Y N 395 
TRP   CZ2  C  Y N 396 
TRP   CZ3  C  Y N 397 
TRP   CH2  C  Y N 398 
TRP   OXT  O  N N 399 
TRP   H    H  N N 400 
TRP   H2   H  N N 401 
TRP   HA   H  N N 402 
TRP   HB2  H  N N 403 
TRP   HB3  H  N N 404 
TRP   HD1  H  N N 405 
TRP   HE1  H  N N 406 
TRP   HE3  H  N N 407 
TRP   HZ2  H  N N 408 
TRP   HZ3  H  N N 409 
TRP   HH2  H  N N 410 
TRP   HXT  H  N N 411 
TYR   N    N  N N 412 
TYR   CA   C  N S 413 
TYR   C    C  N N 414 
TYR   O    O  N N 415 
TYR   CB   C  N N 416 
TYR   CG   C  Y N 417 
TYR   CD1  C  Y N 418 
TYR   CD2  C  Y N 419 
TYR   CE1  C  Y N 420 
TYR   CE2  C  Y N 421 
TYR   CZ   C  Y N 422 
TYR   OH   O  N N 423 
TYR   OXT  O  N N 424 
TYR   H    H  N N 425 
TYR   H2   H  N N 426 
TYR   HA   H  N N 427 
TYR   HB2  H  N N 428 
TYR   HB3  H  N N 429 
TYR   HD1  H  N N 430 
TYR   HD2  H  N N 431 
TYR   HE1  H  N N 432 
TYR   HE2  H  N N 433 
TYR   HH   H  N N 434 
TYR   HXT  H  N N 435 
VAL   N    N  N N 436 
VAL   CA   C  N S 437 
VAL   C    C  N N 438 
VAL   O    O  N N 439 
VAL   CB   C  N N 440 
VAL   CG1  C  N N 441 
VAL   CG2  C  N N 442 
VAL   OXT  O  N N 443 
VAL   H    H  N N 444 
VAL   H2   H  N N 445 
VAL   HA   H  N N 446 
VAL   HB   H  N N 447 
VAL   HG11 H  N N 448 
VAL   HG12 H  N N 449 
VAL   HG13 H  N N 450 
VAL   HG21 H  N N 451 
VAL   HG22 H  N N 452 
VAL   HG23 H  N N 453 
VAL   HXT  H  N N 454 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1H2N C1  C2   sing N N 1   
A1H2N C3  C2   sing N N 2   
A1H2N O1  C3   sing N N 3   
A1H2N O1  C4   sing N N 4   
A1H2N C2  N1   sing N N 5   
A1H2N N1  N2   sing Y N 6   
A1H2N N3  N2   doub Y N 7   
A1H2N C5  N3   sing Y N 8   
A1H2N C6  C5   sing N N 9   
A1H2N C6  C7   sing N N 10  
A1H2N C8  C7   sing N N 11  
A1H2N C8  C9   sing N N 12  
A1H2N C9  N4   sing N N 13  
A1H2N N4  N5   sing Y N 14  
A1H2N N6  N5   doub Y N 15  
A1H2N C10 N6   sing Y N 16  
A1H2N C11 C10  sing N N 17  
A1H2N C12 C11  doub Y N 18  
A1H2N C13 C12  sing Y N 19  
A1H2N C13 C14  doub Y N 20  
A1H2N C14 CL1  sing N N 21  
A1H2N C14 C15  sing Y N 22  
A1H2N F1  C15  sing N N 23  
A1H2N C11 C16  sing Y N 24  
A1H2N F2  C16  sing N N 25  
A1H2N C17 C10  doub Y N 26  
A1H2N O2  C8   sing N N 27  
A1H2N O2  C18  sing N N 28  
A1H2N O3  C7   sing N N 29  
A1H2N O3  C19  sing N N 30  
A1H2N C20 C19  sing N N 31  
A1H2N O4  C20  sing N N 32  
A1H2N C21 C19  sing N N 33  
A1H2N O5  C21  sing N N 34  
A1H2N C22 C5   doub Y N 35  
A1H2N C4  C2   sing N N 36  
A1H2N C22 N1   sing Y N 37  
A1H2N C21 C9   sing N N 38  
A1H2N C17 N4   sing Y N 39  
A1H2N C15 C16  doub Y N 40  
A1H2N C4  H7   sing N N 41  
A1H2N C4  H6   sing N N 42  
A1H2N C6  H8   sing N N 43  
A1H2N C6  H9   sing N N 44  
A1H2N C7  H10  sing N N 45  
A1H2N C8  H11  sing N N 46  
A1H2N C13 H14  sing N N 47  
A1H2N C17 H15  sing N N 48  
A1H2N C20 H20  sing N N 49  
A1H2N C20 H21  sing N N 50  
A1H2N C21 H23  sing N N 51  
A1H2N C22 H25  sing N N 52  
A1H2N C1  H1   sing N N 53  
A1H2N C1  H2   sing N N 54  
A1H2N C1  H3   sing N N 55  
A1H2N C3  H5   sing N N 56  
A1H2N C3  H4   sing N N 57  
A1H2N C9  H12  sing N N 58  
A1H2N C12 H13  sing N N 59  
A1H2N C18 H17  sing N N 60  
A1H2N C18 H18  sing N N 61  
A1H2N C18 H16  sing N N 62  
A1H2N C19 H19  sing N N 63  
A1H2N O4  H22  sing N N 64  
A1H2N O5  H24  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          'In-house unliganded structure' 
# 
_atom_sites.entry_id                    8RRE 
_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]   0.028970 
_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]   0.017382 
_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]   0.016099 
_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   ? 6.621   2.355   10.442  1.000 31.302 0 113 PRO   A N    1 ? 
ATOM   2    C  CA   . PRO   A 1 1   ? 5.707   3.348   9.879   1.000 27.880 0 113 PRO   A CA   1 ? 
ATOM   3    C  C    . PRO   A 1 1   ? 5.824   3.559   8.372   1.000 24.605 0 113 PRO   A C    1 ? 
ATOM   4    O  O    . PRO   A 1 1   ? 6.920   3.504   7.805   1.000 26.881 0 113 PRO   A O    1 ? 
ATOM   5    C  CB   . PRO   A 1 1   ? 6.086   4.607   10.628  1.000 28.859 0 113 PRO   A CB   1 ? 
ATOM   6    C  CG   . PRO   A 1 1   ? 6.410   4.091   12.018  1.000 32.055 0 113 PRO   A CG   1 ? 
ATOM   7    C  CD   . PRO   A 1 1   ? 6.767   2.612   11.858  1.000 32.426 0 113 PRO   A CD   1 ? 
ATOM   8    H  H    . PRO   A 1 1   ? 6.993   1.723   9.993   1.000 30.318 0 113 PRO   A H    1 c 
ATOM   9    H  HA   . PRO   A 1 1   ? 4.781   3.090   10.109  1.000 27.527 0 113 PRO   A HA   1 c 
ATOM   10   H  HB2  . PRO   A 1 1   ? 6.871   5.042   10.218  1.000 29.160 0 113 PRO   A HB2  1 c 
ATOM   11   H  HB3  . PRO   A 1 1   ? 5.334   5.245   10.652  1.000 29.212 0 113 PRO   A HB3  1 c 
ATOM   12   H  HG2  . PRO   A 1 1   ? 7.165   4.585   12.400  1.000 31.400 0 113 PRO   A HG2  1 c 
ATOM   13   H  HG3  . PRO   A 1 1   ? 5.638   4.194   12.612  1.000 31.618 0 113 PRO   A HG3  1 c 
ATOM   14   H  HD2  . PRO   A 1 1   ? 7.689   2.442   12.152  1.000 32.177 0 113 PRO   A HD2  1 c 
ATOM   15   H  HD3  . PRO   A 1 1   ? 6.157   2.047   12.382  1.000 32.024 0 113 PRO   A HD3  1 c 
ATOM   16   N  N    . LEU   A 1 2   ? 4.654   3.809   7.773   1.000 19.386 0 114 LEU   A N    1 ? 
ATOM   17   C  CA   . LEU   A 1 2   ? 4.482   3.852   6.331   1.000 19.201 0 114 LEU   A CA   1 ? 
ATOM   18   C  C    . LEU   A 1 2   ? 3.762   5.133   5.942   1.000 20.185 0 114 LEU   A C    1 ? 
ATOM   19   O  O    . LEU   A 1 2   ? 2.963   5.615   6.720   1.000 24.328 0 114 LEU   A O    1 ? 
ATOM   20   C  CB   . LEU   A 1 2   ? 3.638   2.655   5.891   1.000 21.050 0 114 LEU   A CB   1 ? 
ATOM   21   C  CG   . LEU   A 1 2   ? 4.113   1.288   6.384   1.000 25.291 0 114 LEU   A CG   1 ? 
ATOM   22   C  CD1  . LEU   A 1 2   ? 3.021   0.246   6.165   1.000 26.873 0 114 LEU   A CD1  1 ? 
ATOM   23   C  CD2  . LEU   A 1 2   ? 5.404   0.919   5.634   1.000 29.344 0 114 LEU   A CD2  1 ? 
ATOM   24   H  H    . LEU   A 1 2   ? 3.923   3.968   8.298   1.000 20.086 0 114 LEU   A H    1 c 
ATOM   25   H  HA   . LEU   A 1 2   ? 5.369   3.822   5.891   1.000 19.754 0 114 LEU   A HA   1 c 
ATOM   26   H  HB2  . LEU   A 1 2   ? 2.717   2.796   6.209   1.000 21.175 0 114 LEU   A HB2  1 c 
ATOM   27   H  HB3  . LEU   A 1 2   ? 3.615   2.640   4.906   1.000 21.352 0 114 LEU   A HB3  1 c 
ATOM   28   H  HG   . LEU   A 1 2   ? 4.309   1.346   7.354   1.000 25.070 0 114 LEU   A HG   1 c 
ATOM   29   H  HD11 . LEU   A 1 2   ? 2.232   0.490   6.678   1.000 26.596 0 114 LEU   A HD11 1 c 
ATOM   30   H  HD12 . LEU   A 1 2   ? 3.339   -0.625  6.457   1.000 26.430 0 114 LEU   A HD12 1 c 
ATOM   31   H  HD13 . LEU   A 1 2   ? 2.794   0.209   5.223   1.000 26.606 0 114 LEU   A HD13 1 c 
ATOM   32   H  HD21 . LEU   A 1 2   ? 6.092   1.579   5.824   1.000 28.228 0 114 LEU   A HD21 1 c 
ATOM   33   H  HD22 . LEU   A 1 2   ? 5.231   0.899   4.678   1.000 28.355 0 114 LEU   A HD22 1 c 
ATOM   34   H  HD23 . LEU   A 1 2   ? 5.709   0.043   5.925   1.000 28.299 0 114 LEU   A HD23 1 c 
ATOM   35   N  N    . ILE   A 1 3   ? 3.961   5.639   4.710   1.000 22.129 0 115 ILE   A N    1 ? 
ATOM   36   C  CA   . ILE   A 1 3   ? 3.243   6.854   4.319   1.000 24.549 0 115 ILE   A CA   1 ? 
ATOM   37   C  C    . ILE   A 1 3   ? 2.018   6.510   3.468   1.000 20.842 0 115 ILE   A C    1 ? 
ATOM   38   O  O    . ILE   A 1 3   ? 2.092   5.744   2.531   1.000 26.379 0 115 ILE   A O    1 ? 
ATOM   39   C  CB   . ILE   A 1 3   ? 4.180   7.884   3.656   1.000 28.122 0 115 ILE   A CB   1 ? 
ATOM   40   C  CG1  . ILE   A 1 3   ? 5.402   8.168   4.574   1.000 31.444 0 115 ILE   A CG1  1 ? 
ATOM   41   C  CG2  . ILE   A 1 3   ? 3.417   9.170   3.294   1.000 28.774 0 115 ILE   A CG2  1 ? 
ATOM   42   C  CD1  . ILE   A 1 3   ? 6.200   9.404   4.203   1.000 35.951 0 115 ILE   A CD1  1 ? 
ATOM   43   H  H    . ILE   A 1 3   ? 4.534   5.237   4.121   1.000 21.920 0 115 ILE   A H    1 c 
ATOM   44   H  HA   . ILE   A 1 3   ? 2.913   7.270   5.138   1.000 24.026 0 115 ILE   A HA   1 c 
ATOM   45   H  HB   . ILE   A 1 3   ? 4.515   7.490   2.826   1.000 27.904 0 115 ILE   A HB   1 c 
ATOM   46   H  HG12 . ILE   A 1 3   ? 5.086   8.265   5.495   1.000 31.616 0 115 ILE   A HG12 1 c 
ATOM   47   H  HG13 . ILE   A 1 3   ? 6.000   7.393   4.545   1.000 31.349 0 115 ILE   A HG13 1 c 
ATOM   48   H  HG21 . ILE   A 1 3   ? 4.016   9.793   2.850   1.000 28.649 0 115 ILE   A HG21 1 c 
ATOM   49   H  HG22 . ILE   A 1 3   ? 3.067   9.580   4.103   1.000 28.637 0 115 ILE   A HG22 1 c 
ATOM   50   H  HG23 . ILE   A 1 3   ? 2.681   8.956   2.698   1.000 28.590 0 115 ILE   A HG23 1 c 
ATOM   51   H  HD11 . ILE   A 1 3   ? 6.454   9.366   3.262   1.000 34.879 0 115 ILE   A HD11 1 c 
ATOM   52   H  HD12 . ILE   A 1 3   ? 7.004   9.443   4.754   1.000 34.853 0 115 ILE   A HD12 1 c 
ATOM   53   H  HD13 . ILE   A 1 3   ? 5.663   10.204  4.362   1.000 34.793 0 115 ILE   A HD13 1 c 
ATOM   54   N  N    . VAL   A 1 4   ? 0.856   6.996   3.865   1.000 19.588 0 116 VAL   A N    1 ? 
ATOM   55   C  CA   . VAL   A 1 4   ? -0.345  6.714   3.093   1.000 18.222 0 116 VAL   A CA   1 ? 
ATOM   56   C  C    . VAL   A 1 4   ? -0.352  7.554   1.825   1.000 17.219 0 116 VAL   A C    1 ? 
ATOM   57   O  O    . VAL   A 1 4   ? 0.292   8.615   1.738   1.000 19.736 0 116 VAL   A O    1 ? 
ATOM   58   C  CB   . VAL   A 1 4   ? -1.621  6.933   3.945   1.000 20.277 0 116 VAL   A CB   1 ? 
ATOM   59   C  CG1  . VAL   A 1 4   ? -1.740  5.861   5.015   1.000 21.440 0 116 VAL   A CG1  1 ? 
ATOM   60   C  CG2  . VAL   A 1 4   ? -1.696  8.334   4.514   1.000 24.181 0 116 VAL   A CG2  1 ? 
ATOM   61   H  HA   . VAL   A 1 4   ? -0.318  5.774   2.837   1.000 18.591 0 116 VAL   A HA   1 c 
ATOM   62   H  HB   . VAL   A 1 4   ? -2.391  6.827   3.342   1.000 20.494 0 116 VAL   A HB   1 c 
ATOM   63   H  HG11 . VAL   A 1 4   ? -0.966  5.899   5.601   1.000 21.215 0 116 VAL   A HG11 1 c 
ATOM   64   H  HG12 . VAL   A 1 4   ? -1.785  4.986   4.594   1.000 21.203 0 116 VAL   A HG12 1 c 
ATOM   65   H  HG13 . VAL   A 1 4   ? -2.547  6.011   5.536   1.000 21.146 0 116 VAL   A HG13 1 c 
ATOM   66   H  HG21 . VAL   A 1 4   ? -2.504  8.423   5.047   1.000 23.230 0 116 VAL   A HG21 1 c 
ATOM   67   H  HG22 . VAL   A 1 4   ? -1.716  8.981   3.789   1.000 23.252 0 116 VAL   A HG22 1 c 
ATOM   68   H  HG23 . VAL   A 1 4   ? -0.921  8.501   5.076   1.000 23.181 0 116 VAL   A HG23 1 c 
ATOM   69   N  N    . PRO   A 1 5   ? -1.073  7.140   0.764   1.000 17.994 0 117 PRO   A N    1 ? 
ATOM   70   C  CA   . PRO   A 1 5   ? -1.823  5.876   0.731   1.000 17.417 0 117 PRO   A CA   1 ? 
ATOM   71   C  C    . PRO   A 1 5   ? -0.956  4.631   0.635   1.000 17.343 0 117 PRO   A C    1 ? 
ATOM   72   O  O    . PRO   A 1 5   ? 0.128   4.677   0.051   1.000 19.236 0 117 PRO   A O    1 ? 
ATOM   73   C  CB   . PRO   A 1 5   ? -2.675  6.025   -0.533  1.000 19.730 0 117 PRO   A CB   1 ? 
ATOM   74   C  CG   . PRO   A 1 5   ? -1.946  7.018   -1.365  1.000 23.045 0 117 PRO   A CG   1 ? 
ATOM   75   C  CD   . PRO   A 1 5   ? -1.245  7.962   -0.440  1.000 20.329 0 117 PRO   A CD   1 ? 
ATOM   76   H  HA   . PRO   A 1 5   ? -2.409  5.820   1.522   1.000 17.767 0 117 PRO   A HA   1 c 
ATOM   77   H  HB2  . PRO   A 1 5   ? -2.757  5.164   -1.007  1.000 19.578 0 117 PRO   A HB2  1 c 
ATOM   78   H  HB3  . PRO   A 1 5   ? -3.578  6.351   -0.310  1.000 19.689 0 117 PRO   A HB3  1 c 
ATOM   79   H  HG2  . PRO   A 1 5   ? -1.295  6.566   -1.941  1.000 21.837 0 117 PRO   A HG2  1 c 
ATOM   80   H  HG3  . PRO   A 1 5   ? -2.573  7.509   -1.936  1.000 21.901 0 117 PRO   A HG3  1 c 
ATOM   81   H  HD2  . PRO   A 1 5   ? -0.378  8.243   -0.810  1.000 20.196 0 117 PRO   A HD2  1 c 
ATOM   82   H  HD3  . PRO   A 1 5   ? -1.796  8.755   -0.257  1.000 20.169 0 117 PRO   A HD3  1 c 
ATOM   83   N  N    . TYR   A 1 6   ? -1.465  3.531   1.212   1.000 15.124 0 118 TYR   A N    1 ? 
ATOM   84   C  CA   . TYR   A 1 6   ? -0.748  2.278   1.278   1.000 15.477 0 118 TYR   A CA   1 ? 
ATOM   85   C  C    . TYR   A 1 6   ? -1.682  1.173   0.813   1.000 15.798 0 118 TYR   A C    1 ? 
ATOM   86   O  O    . TYR   A 1 6   ? -2.841  1.161   1.207   1.000 17.946 0 118 TYR   A O    1 ? 
ATOM   87   C  CB   . TYR   A 1 6   ? -0.274  2.069   2.721   1.000 16.980 0 118 TYR   A CB   1 ? 
ATOM   88   C  CG   . TYR   A 1 6   ? 0.473   0.769   2.922   1.000 18.405 0 118 TYR   A CG   1 ? 
ATOM   89   C  CD1  . TYR   A 1 6   ? 1.794   0.632   2.521   1.000 23.323 0 118 TYR   A CD1  1 ? 
ATOM   90   C  CD2  . TYR   A 1 6   ? -0.128  -0.327  3.491   1.000 18.500 0 118 TYR   A CD2  1 ? 
ATOM   91   C  CE1  . TYR   A 1 6   ? 2.487   -0.560  2.697   1.000 25.753 0 118 TYR   A CE1  1 ? 
ATOM   92   C  CE2  . TYR   A 1 6   ? 0.546   -1.524  3.668   1.000 19.575 0 118 TYR   A CE2  1 ? 
ATOM   93   C  CZ   . TYR   A 1 6   ? 1.850   -1.649  3.266   1.000 22.804 0 118 TYR   A CZ   1 ? 
ATOM   94   O  OH   . TYR   A 1 6   ? 2.514   -2.822  3.433   1.000 31.531 0 118 TYR   A OH   1 ? 
ATOM   95   H  H    . TYR   A 1 6   ? -2.300  3.573   1.581   1.000 15.547 0 118 TYR   A H    1 c 
ATOM   96   H  HA   . TYR   A 1 6   ? 0.041   2.319   0.675   1.000 15.622 0 118 TYR   A HA   1 c 
ATOM   97   H  HB2  . TYR   A 1 6   ? 0.313   2.817   2.971   1.000 16.936 0 118 TYR   A HB2  1 c 
ATOM   98   H  HB3  . TYR   A 1 6   ? -1.057  2.085   3.315   1.000 16.931 0 118 TYR   A HB3  1 c 
ATOM   99   H  HD1  . TYR   A 1 6   ? 2.234   1.366   2.128   1.000 21.945 0 118 TYR   A HD1  1 c 
ATOM   100  H  HD2  . TYR   A 1 6   ? -1.028  -0.265  3.767   1.000 18.567 0 118 TYR   A HD2  1 c 
ATOM   101  H  HE1  . TYR   A 1 6   ? 3.383   -0.633  2.415   1.000 24.514 0 118 TYR   A HE1  1 c 
ATOM   102  H  HE2  . TYR   A 1 6   ? 0.104   -2.258  4.058   1.000 19.660 0 118 TYR   A HE2  1 c 
ATOM   103  H  HH   . TYR   A 1 6   ? 2.898   -2.842  4.193   0.000 32.122 0 118 TYR   A HH   1 c 
ATOM   104  N  N    . ASN   A 1 7   ? -1.147  0.250   0.008   1.000 18.257 0 119 ASN   A N    1 ? 
ATOM   105  C  CA   . ASN   A 1 7   ? -1.888  -0.932  -0.375  1.000 19.222 0 119 ASN   A CA   1 ? 
ATOM   106  C  C    . ASN   A 1 7   ? -1.258  -2.162  0.273   1.000 18.906 0 119 ASN   A C    1 ? 
ATOM   107  O  O    . ASN   A 1 7   ? -0.052  -2.390  0.144   1.000 21.329 0 119 ASN   A O    1 ? 
ATOM   108  C  CB   . ASN   A 1 7   ? -1.919  -1.029  -1.891  1.000 23.175 0 119 ASN   A CB   1 ? 
ATOM   109  C  CG   . ASN   A 1 7   ? -3.227  -1.651  -2.311  1.000 29.352 0 119 ASN   A CG   1 ? 
ATOM   110  O  OD1  . ASN   A 1 7   ? -3.340  -2.869  -2.177  1.000 31.651 0 119 ASN   A OD1  1 ? 
ATOM   111  N  ND2  . ASN   A 1 7   ? -4.228  -0.854  -2.704  1.000 31.613 0 119 ASN   A ND2  1 ? 
ATOM   112  H  H    . ASN   A 1 7   ? -0.298  0.363   -0.311  1.000 17.800 0 119 ASN   A H    1 c 
ATOM   113  H  HA   . ASN   A 1 7   ? -2.813  -0.840  -0.060  1.000 19.283 0 119 ASN   A HA   1 c 
ATOM   114  H  HB2  . ASN   A 1 7   ? -1.835  -0.136  -2.282  1.000 23.074 0 119 ASN   A HB2  1 c 
ATOM   115  H  HB3  . ASN   A 1 7   ? -1.173  -1.578  -2.204  1.000 23.311 0 119 ASN   A HB3  1 c 
ATOM   116  H  HD21 . ASN   A 1 7   ? -4.127  0.027   -2.690  1.000 31.098 0 119 ASN   A HD21 1 c 
ATOM   117  H  HD22 . ASN   A 1 7   ? -4.993  -1.209  -2.978  1.000 31.222 0 119 ASN   A HD22 1 c 
ATOM   118  N  N    . LEU   A 1 8   ? -2.078  -2.865  1.068   1.000 16.975 0 120 LEU   A N    1 ? 
ATOM   119  C  CA   . LEU   A 1 8   ? -1.740  -4.138  1.665   1.000 16.911 0 120 LEU   A CA   1 ? 
ATOM   120  C  C    . LEU   A 1 8   ? -2.246  -5.257  0.758   1.000 15.937 0 120 LEU   A C    1 ? 
ATOM   121  O  O    . LEU   A 1 8   ? -3.456  -5.432  0.616   1.000 14.791 0 120 LEU   A O    1 ? 
ATOM   122  C  CB   . LEU   A 1 8   ? -2.346  -4.229  3.069   1.000 17.546 0 120 LEU   A CB   1 ? 
ATOM   123  C  CG   . LEU   A 1 8   ? -2.074  -5.555  3.792   1.000 19.397 0 120 LEU   A CG   1 ? 
ATOM   124  C  CD1  . LEU   A 1 8   ? -0.598  -5.706  4.162   1.000 20.801 0 120 LEU   A CD1  1 ? 
ATOM   125  C  CD2  . LEU   A 1 8   ? -2.949  -5.656  5.042   1.000 20.083 0 120 LEU   A CD2  1 ? 
ATOM   126  H  H    . LEU   A 1 8   ? -2.904  -2.517  1.247   1.000 17.233 0 120 LEU   A H    1 c 
ATOM   127  H  HA   . LEU   A 1 8   ? -0.756  -4.198  1.735   1.000 16.908 0 120 LEU   A HA   1 c 
ATOM   128  H  HB2  . LEU   A 1 8   ? -1.981  -3.494  3.613   1.000 17.690 0 120 LEU   A HB2  1 c 
ATOM   129  H  HB3  . LEU   A 1 8   ? -3.320  -4.106  2.996   1.000 17.771 0 120 LEU   A HB3  1 c 
ATOM   130  H  HG   . LEU   A 1 8   ? -2.318  -6.300  3.185   1.000 19.240 0 120 LEU   A HG   1 c 
ATOM   131  H  HD11 . LEU   A 1 8   ? -0.057  -5.707  3.355   1.000 20.391 0 120 LEU   A HD11 1 c 
ATOM   132  H  HD12 . LEU   A 1 8   ? -0.466  -6.543  4.639   1.000 20.485 0 120 LEU   A HD12 1 c 
ATOM   133  H  HD13 . LEU   A 1 8   ? -0.328  -4.965  4.731   1.000 20.595 0 120 LEU   A HD13 1 c 
ATOM   134  H  HD21 . LEU   A 1 8   ? -3.886  -5.627  4.786   1.000 19.984 0 120 LEU   A HD21 1 c 
ATOM   135  H  HD22 . LEU   A 1 8   ? -2.753  -4.913  5.637   1.000 19.975 0 120 LEU   A HD22 1 c 
ATOM   136  H  HD23 . LEU   A 1 8   ? -2.765  -6.494  5.500   1.000 19.895 0 120 LEU   A HD23 1 c 
ATOM   137  N  N    . PRO   A 1 9   ? -1.370  -6.095  0.155   1.000 20.115 0 121 PRO   A N    1 ? 
ATOM   138  C  CA   . PRO   A 1 9   ? -1.860  -7.232  -0.618  1.000 20.514 0 121 PRO   A CA   1 ? 
ATOM   139  C  C    . PRO   A 1 9   ? -2.560  -8.229  0.299   1.000 17.888 0 121 PRO   A C    1 ? 
ATOM   140  O  O    . PRO   A 1 9   ? -2.087  -8.489  1.417   1.000 18.543 0 121 PRO   A O    1 ? 
ATOM   141  C  CB   . PRO   A 1 9   ? -0.610  -7.850  -1.259  1.000 23.977 0 121 PRO   A CB   1 ? 
ATOM   142  C  CG   . PRO   A 1 9   ? 0.473   -6.836  -1.036  1.000 25.185 0 121 PRO   A CG   1 ? 
ATOM   143  C  CD   . PRO   A 1 9   ? 0.102   -5.981  0.154   1.000 22.114 0 121 PRO   A CD   1 ? 
ATOM   144  H  HA   . PRO   A 1 9   ? -2.479  -6.914  -1.321  1.000 20.265 0 121 PRO   A HA   1 c 
ATOM   145  H  HB2  . PRO   A 1 9   ? -0.380  -8.707  -0.829  1.000 23.309 0 121 PRO   A HB2  1 c 
ATOM   146  H  HB3  . PRO   A 1 9   ? -0.751  -8.006  -2.222  1.000 23.545 0 121 PRO   A HB3  1 c 
ATOM   147  H  HG2  . PRO   A 1 9   ? 1.328   -7.286  -0.871  1.000 24.301 0 121 PRO   A HG2  1 c 
ATOM   148  H  HG3  . PRO   A 1 9   ? 0.575   -6.273  -1.832  1.000 24.420 0 121 PRO   A HG3  1 c 
ATOM   149  H  HD2  . PRO   A 1 9   ? 0.491   -6.336  0.983   1.000 22.094 0 121 PRO   A HD2  1 c 
ATOM   150  H  HD3  . PRO   A 1 9   ? 0.392   -5.051  0.026   1.000 22.008 0 121 PRO   A HD3  1 c 
ATOM   151  N  N    . LEU   A 1 10  ? -3.622  -8.838  -0.231  1.000 17.294 0 122 LEU   A N    1 ? 
ATOM   152  C  CA   . LEU   A 1 10  ? -4.337  -9.923  0.414   1.000 16.121 0 122 LEU   A CA   1 ? 
ATOM   153  C  C    . LEU   A 1 10  ? -4.310  -11.077 -0.578  1.000 15.981 0 122 LEU   A C    1 ? 
ATOM   154  O  O    . LEU   A 1 10  ? -5.278  -11.327 -1.294  1.000 14.922 0 122 LEU   A O    1 ? 
ATOM   155  C  CB   . LEU   A 1 10  ? -5.759  -9.518  0.796   1.000 15.787 0 122 LEU   A CB   1 ? 
ATOM   156  C  CG   . LEU   A 1 10  ? -5.852  -8.229  1.620   1.000 15.136 0 122 LEU   A CG   1 ? 
ATOM   157  C  CD1  . LEU   A 1 10  ? -7.277  -7.781  1.754   1.000 14.580 0 122 LEU   A CD1  1 ? 
ATOM   158  C  CD2  . LEU   A 1 10  ? -5.234  -8.365  2.987   1.000 16.957 0 122 LEU   A CD2  1 ? 
ATOM   159  H  H    . LEU   A 1 10  ? -3.916  -8.558  -1.049  1.000 17.128 0 122 LEU   A H    1 c 
ATOM   160  H  HA   . LEU   A 1 10  ? -3.845  -10.184 1.231   1.000 16.250 0 122 LEU   A HA   1 c 
ATOM   161  H  HB2  . LEU   A 1 10  ? -6.281  -9.398  -0.030  1.000 15.593 0 122 LEU   A HB2  1 c 
ATOM   162  H  HB3  . LEU   A 1 10  ? -6.162  -10.252 1.314   1.000 15.732 0 122 LEU   A HB3  1 c 
ATOM   163  H  HG   . LEU   A 1 10  ? -5.358  -7.518  1.135   1.000 15.291 0 122 LEU   A HG   1 c 
ATOM   164  H  HD11 . LEU   A 1 10  ? -7.648  -7.607  0.872   1.000 14.663 0 122 LEU   A HD11 1 c 
ATOM   165  H  HD12 . LEU   A 1 10  ? -7.314  -6.969  2.286   1.000 14.767 0 122 LEU   A HD12 1 c 
ATOM   166  H  HD13 . LEU   A 1 10  ? -7.796  -8.477  2.191   1.000 14.632 0 122 LEU   A HD13 1 c 
ATOM   167  H  HD21 . LEU   A 1 10  ? -4.292  -8.582  2.899   1.000 16.468 0 122 LEU   A HD21 1 c 
ATOM   168  H  HD22 . LEU   A 1 10  ? -5.684  -9.073  3.478   1.000 16.621 0 122 LEU   A HD22 1 c 
ATOM   169  H  HD23 . LEU   A 1 10  ? -5.329  -7.527  3.471   1.000 16.559 0 122 LEU   A HD23 1 c 
ATOM   170  N  N    . PRO   A 1 11  ? -3.206  -11.841 -0.642  1.000 17.810 0 123 PRO   A N    1 ? 
ATOM   171  C  CA   . PRO   A 1 11  ? -3.058  -12.824 -1.718  1.000 15.468 0 123 PRO   A CA   1 ? 
ATOM   172  C  C    . PRO   A 1 11  ? -4.035  -13.990 -1.627  1.000 15.515 0 123 PRO   A C    1 ? 
ATOM   173  O  O    . PRO   A 1 11  ? -4.179  -14.657 -0.591  1.000 21.179 0 123 PRO   A O    1 ? 
ATOM   174  C  CB   . PRO   A 1 11  ? -1.591  -13.289 -1.591  1.000 17.820 0 123 PRO   A CB   1 ? 
ATOM   175  C  CG   . PRO   A 1 11  ? -0.943  -12.291 -0.668  1.000 17.727 0 123 PRO   A CG   1 ? 
ATOM   176  C  CD   . PRO   A 1 11  ? -2.045  -11.804 0.249   1.000 19.112 0 123 PRO   A CD   1 ? 
ATOM   177  H  HA   . PRO   A 1 11  ? -3.178  -12.358 -2.583  1.000 16.055 0 123 PRO   A HA   1 c 
ATOM   178  H  HB2  . PRO   A 1 11  ? -1.542  -14.198 -1.213  1.000 17.404 0 123 PRO   A HB2  1 c 
ATOM   179  H  HB3  . PRO   A 1 11  ? -1.147  -13.289 -2.471  1.000 17.505 0 123 PRO   A HB3  1 c 
ATOM   180  H  HG2  . PRO   A 1 11  ? -0.227  -12.712 -0.150  1.000 17.990 0 123 PRO   A HG2  1 c 
ATOM   181  H  HG3  . PRO   A 1 11  ? -0.565  -11.544 -1.177  1.000 17.855 0 123 PRO   A HG3  1 c 
ATOM   182  H  HD2  . PRO   A 1 11  ? -2.161  -12.406 1.017   1.000 18.709 0 123 PRO   A HD2  1 c 
ATOM   183  H  HD3  . PRO   A 1 11  ? -1.861  -10.896 0.569   1.000 18.567 0 123 PRO   A HD3  1 c 
ATOM   184  N  N    . GLY   A 1 12  ? -4.775  -14.233 -2.678  1.000 15.579 0 124 GLY   A N    1 ? 
ATOM   185  C  CA   . GLY   A 1 12  ? -5.814  -15.250 -2.626  1.000 17.104 0 124 GLY   A CA   1 ? 
ATOM   186  C  C    . GLY   A 1 12  ? -7.070  -14.744 -1.937  1.000 18.446 0 124 GLY   A C    1 ? 
ATOM   187  O  O    . GLY   A 1 12  ? -7.968  -15.521 -1.627  1.000 21.429 0 124 GLY   A O    1 ? 
ATOM   188  H  H    . GLY   A 1 12  ? -4.649  -13.761 -3.450  1.000 15.984 0 124 GLY   A H    1 c 
ATOM   189  H  HA2  . GLY   A 1 12  ? -6.035  -15.528 -3.546  1.000 16.994 0 124 GLY   A HA2  1 c 
ATOM   190  H  HA3  . GLY   A 1 12  ? -5.473  -16.039 -2.146  1.000 17.027 0 124 GLY   A HA3  1 c 
ATOM   191  N  N    . GLY   A 1 13  ? -7.104  -13.440 -1.647  1.000 17.305 0 125 GLY   A N    1 ? 
ATOM   192  C  CA   . GLY   A 1 13  ? -8.278  -12.836 -1.034  1.000 17.562 0 125 GLY   A CA   1 ? 
ATOM   193  C  C    . GLY   A 1 13  ? -8.381  -13.149 0.457   1.000 17.081 0 125 GLY   A C    1 ? 
ATOM   194  O  O    . GLY   A 1 13  ? -7.409  -13.521 1.115   1.000 21.437 0 125 GLY   A O    1 ? 
ATOM   195  H  H    . GLY   A 1 13  ? -6.389  -12.908 -1.843  1.000 17.419 0 125 GLY   A H    1 c 
ATOM   196  H  HA2  . GLY   A 1 13  ? -8.233  -11.864 -1.159  1.000 17.456 0 125 GLY   A HA2  1 c 
ATOM   197  H  HA3  . GLY   A 1 13  ? -9.085  -13.162 -1.494  1.000 17.504 0 125 GLY   A HA3  1 c 
ATOM   198  N  N    . VAL   A 1 14  ? -9.567  -12.886 0.984   1.000 13.545 0 126 VAL   A N    1 ? 
ATOM   199  C  CA   . VAL   A 1 14  ? -9.818  -13.046 2.407   1.000 13.678 0 126 VAL   A CA   1 ? 
ATOM   200  C  C    . VAL   A 1 14  ? -10.580 -14.351 2.626   1.000 13.954 0 126 VAL   A C    1 ? 
ATOM   201  O  O    . VAL   A 1 14  ? -11.134 -14.924 1.690   1.000 15.210 0 126 VAL   A O    1 ? 
ATOM   202  C  CB   . VAL   A 1 14  ? -10.533 -11.839 3.029   1.000 14.688 0 126 VAL   A CB   1 ? 
ATOM   203  C  CG1  . VAL   A 1 14  ? -9.717  -10.570 2.829   1.000 14.058 0 126 VAL   A CG1  1 ? 
ATOM   204  C  CG2  . VAL   A 1 14  ? -11.941 -11.647 2.473   1.000 14.675 0 126 VAL   A CG2  1 ? 
ATOM   205  H  H    . VAL   A 1 14  ? -10.247 -12.603 0.443   1.000 14.054 0 126 VAL   A H    1 c 
ATOM   206  H  HA   . VAL   A 1 14  ? -8.955  -13.132 2.851   1.000 13.885 0 126 VAL   A HA   1 c 
ATOM   207  H  HB   . VAL   A 1 14  ? -10.605 -12.009 3.996   1.000 14.522 0 126 VAL   A HB   1 c 
ATOM   208  H  HG11 . VAL   A 1 14  ? -9.608  -10.398 1.879   1.000 14.092 0 126 VAL   A HG11 1 c 
ATOM   209  H  HG12 . VAL   A 1 14  ? -8.842  -10.678 3.240   1.000 14.151 0 126 VAL   A HG12 1 c 
ATOM   210  H  HG13 . VAL   A 1 14  ? -10.177 -9.820  3.242   1.000 14.228 0 126 VAL   A HG13 1 c 
ATOM   211  H  HG21 . VAL   A 1 14  ? -12.334 -10.845 2.857   1.000 14.647 0 126 VAL   A HG21 1 c 
ATOM   212  H  HG22 . VAL   A 1 14  ? -12.489 -12.415 2.703   1.000 14.690 0 126 VAL   A HG22 1 c 
ATOM   213  H  HG23 . VAL   A 1 14  ? -11.901 -11.555 1.507   1.000 14.727 0 126 VAL   A HG23 1 c 
ATOM   214  N  N    . VAL   A 1 15  ? -10.655 -14.777 3.890   1.000 14.465 0 127 VAL   A N    1 ? 
ATOM   215  C  CA   . VAL   A 1 15  ? -11.269 -16.033 4.273   1.000 14.384 0 127 VAL   A CA   1 ? 
ATOM   216  C  C    . VAL   A 1 15  ? -11.771 -15.857 5.702   1.000 13.915 0 127 VAL   A C    1 ? 
ATOM   217  O  O    . VAL   A 1 15  ? -11.181 -15.091 6.491   1.000 13.636 0 127 VAL   A O    1 ? 
ATOM   218  C  CB   . VAL   A 1 15  ? -10.232 -17.165 4.147   1.000 17.207 0 127 VAL   A CB   1 ? 
ATOM   219  C  CG1  . VAL   A 1 15  ? -9.015  -17.030 5.051   1.000 16.201 0 127 VAL   A CG1  1 ? 
ATOM   220  C  CG2  . VAL   A 1 15  ? -10.871 -18.532 4.276   1.000 20.413 0 127 VAL   A CG2  1 ? 
ATOM   221  H  H    . VAL   A 1 15  ? -10.295 -14.253 4.547   1.000 14.367 0 127 VAL   A H    1 c 
ATOM   222  H  HA   . VAL   A 1 15  ? -12.023 -16.214 3.681   1.000 14.640 0 127 VAL   A HA   1 c 
ATOM   223  H  HB   . VAL   A 1 15  ? -9.885  -17.117 3.225   1.000 16.903 0 127 VAL   A HB   1 c 
ATOM   224  H  HG11 . VAL   A 1 15  ? -9.296  -17.045 5.982   1.000 16.374 0 127 VAL   A HG11 1 c 
ATOM   225  H  HG12 . VAL   A 1 15  ? -8.561  -16.192 4.864   1.000 16.421 0 127 VAL   A HG12 1 c 
ATOM   226  H  HG13 . VAL   A 1 15  ? -8.406  -17.770 4.888   1.000 16.329 0 127 VAL   A HG13 1 c 
ATOM   227  H  HG21 . VAL   A 1 15  ? -10.195 -19.219 4.151   1.000 19.647 0 127 VAL   A HG21 1 c 
ATOM   228  H  HG22 . VAL   A 1 15  ? -11.563 -18.633 3.602   1.000 19.598 0 127 VAL   A HG22 1 c 
ATOM   229  H  HG23 . VAL   A 1 15  ? -11.264 -18.625 5.160   1.000 19.532 0 127 VAL   A HG23 1 c 
ATOM   230  N  N    . PRO   A 1 16  ? -12.858 -16.545 6.124   1.000 13.897 0 128 PRO   A N    1 ? 
ATOM   231  C  CA   . PRO   A 1 16  ? -13.263 -16.470 7.533   1.000 14.721 0 128 PRO   A CA   1 ? 
ATOM   232  C  C    . PRO   A 1 16  ? -12.140 -16.839 8.492   1.000 15.090 0 128 PRO   A C    1 ? 
ATOM   233  O  O    . PRO   A 1 16  ? -11.360 -17.750 8.234   1.000 16.269 0 128 PRO   A O    1 ? 
ATOM   234  C  CB   . PRO   A 1 16  ? -14.469 -17.376 7.624   1.000 16.123 0 128 PRO   A CB   1 ? 
ATOM   235  C  CG   . PRO   A 1 16  ? -15.060 -17.310 6.234   1.000 16.203 0 128 PRO   A CG   1 ? 
ATOM   236  C  CD   . PRO   A 1 16  ? -13.827 -17.295 5.314   1.000 16.211 0 128 PRO   A CD   1 ? 
ATOM   237  H  HA   . PRO   A 1 16  ? -13.552 -15.542 7.711   1.000 14.783 0 128 PRO   A HA   1 c 
ATOM   238  H  HB2  . PRO   A 1 16  ? -14.203 -18.298 7.852   1.000 15.938 0 128 PRO   A HB2  1 c 
ATOM   239  H  HB3  . PRO   A 1 16  ? -15.110 -17.046 8.297   1.000 15.852 0 128 PRO   A HB3  1 c 
ATOM   240  H  HG2  . PRO   A 1 16  ? -15.623 -18.091 6.053   1.000 16.216 0 128 PRO   A HG2  1 c 
ATOM   241  H  HG3  . PRO   A 1 16  ? -15.593 -16.496 6.117   1.000 16.160 0 128 PRO   A HG3  1 c 
ATOM   242  H  HD2  . PRO   A 1 16  ? -13.512 -18.207 5.128   1.000 15.706 0 128 PRO   A HD2  1 c 
ATOM   243  H  HD3  . PRO   A 1 16  ? -14.022 -16.836 4.467   1.000 15.712 0 128 PRO   A HD3  1 c 
ATOM   244  N  N    . ARG   A 1 17  ? -12.072 -16.068 9.571   1.000 15.264 0 129 ARG   A N    1 ? 
ATOM   245  C  CA   . ARG   A 1 17  ? -11.098 -16.154 10.660  1.000 16.267 0 129 ARG   A CA   1 ? 
ATOM   246  C  C    . ARG   A 1 17  ? -9.845  -15.324 10.386  1.000 14.588 0 129 ARG   A C    1 ? 
ATOM   247  O  O    . ARG   A 1 17  ? -8.982  -15.210 11.248  1.000 17.115 0 129 ARG   A O    1 ? 
ATOM   248  C  CB   . ARG   A 1 17  ? -10.725 -17.573 11.073  1.000 16.609 0 129 ARG   A CB   1 ? 
ATOM   249  C  CG   . ARG   A 1 17  ? -11.919 -18.307 11.688  1.000 20.536 0 129 ARG   A CG   1 ? 
ATOM   250  C  CD   . ARG   A 1 17  ? -11.601 -19.663 12.237  1.000 22.842 0 129 ARG   A CD   1 ? 
ATOM   251  N  NE   . ARG   A 1 17  ? -11.179 -20.549 11.162  1.000 29.613 0 129 ARG   A NE   1 ? 
ATOM   252  C  CZ   . ARG   A 1 17  ? -10.196 -21.432 11.143  1.000 38.196 0 129 ARG   A CZ   1 ? 
ATOM   253  N  NH1  . ARG   A 1 17  ? -9.487  -21.703 12.218  1.000 42.432 0 129 ARG   A NH1  1 ? 
ATOM   254  N  NH2  . ARG   A 1 17  ? -9.946  -22.065 10.017  1.000 40.839 0 129 ARG   A NH2  1 ? 
ATOM   255  H  H    . ARG   A 1 17  ? -12.707 -15.415 9.642   1.000 15.323 0 129 ARG   A H    1 c 
ATOM   256  H  HA   . ARG   A 1 17  ? -11.528 -15.753 11.457  1.000 16.000 0 129 ARG   A HA   1 c 
ATOM   257  H  HB2  . ARG   A 1 17  ? -10.402 -18.071 10.295  1.000 16.751 0 129 ARG   A HB2  1 c 
ATOM   258  H  HB3  . ARG   A 1 17  ? -9.999  -17.537 11.732  1.000 16.998 0 129 ARG   A HB3  1 c 
ATOM   259  H  HG2  . ARG   A 1 17  ? -12.292 -17.757 12.411  1.000 20.006 0 129 ARG   A HG2  1 c 
ATOM   260  H  HG3  . ARG   A 1 17  ? -12.618 -18.402 11.004  1.000 19.955 0 129 ARG   A HG3  1 c 
ATOM   261  H  HD2  . ARG   A 1 17  ? -10.889 -19.588 12.903  1.000 23.118 0 129 ARG   A HD2  1 c 
ATOM   262  H  HD3  . ARG   A 1 17  ? -12.394 -20.036 12.673  1.000 22.925 0 129 ARG   A HD3  1 c 
ATOM   263  H  HE   . ARG   A 1 17  ? -11.639 -20.493 10.424  1.000 28.835 0 129 ARG   A HE   1 c 
ATOM   264  H  HH11 . ARG   A 1 17  ? -8.792  -22.245 12.158  1.000 41.209 0 129 ARG   A HH11 1 c 
ATOM   265  H  HH12 . ARG   A 1 17  ? -9.702  -21.350 12.998  1.000 40.639 0 129 ARG   A HH12 1 c 
ATOM   266  H  HH21 . ARG   A 1 17  ? -9.301  -22.669 9.985   1.000 40.085 0 129 ARG   A HH21 1 c 
ATOM   267  H  HH22 . ARG   A 1 17  ? -10.422 -21.889 9.292   1.000 40.140 0 129 ARG   A HH22 1 c 
ATOM   268  N  N    . MET   A 1 18  ? -9.801  -14.636 9.234   1.000 13.725 0 130 MET   A N    1 ? 
ATOM   269  C  CA   . MET   A 1 18  ? -8.733  -13.692 8.958   1.000 14.368 0 130 MET   A CA   1 ? 
ATOM   270  C  C    . MET   A 1 18  ? -9.014  -12.390 9.704   1.000 14.668 0 130 MET   A C    1 ? 
ATOM   271  O  O    . MET   A 1 18  ? -10.068 -11.783 9.548   1.000 15.141 0 130 MET   A O    1 ? 
ATOM   272  C  CB   . MET   A 1 18  ? -8.654  -13.431 7.455   1.000 15.461 0 130 MET   A CB   1 ? 
ATOM   273  C  CG   . MET   A 1 18  ? -7.446  -12.663 6.974   1.000 16.918 0 130 MET   A CG   1 ? 
ATOM   274  S  SD   . MET   A 1 18  ? -7.343  -12.796 5.174   1.000 21.458 0 130 MET   A SD   1 ? 
ATOM   275  C  CE   . MET   A 1 18  ? -5.907  -11.833 4.696   1.000 24.276 0 130 MET   A CE   1 ? 
ATOM   276  H  H    . MET   A 1 18  ? -10.452 -14.758 8.606   1.000 13.961 0 130 MET   A H    1 c 
ATOM   277  H  HA   . MET   A 1 18  ? -7.878  -14.078 9.275   1.000 14.579 0 130 MET   A HA   1 c 
ATOM   278  H  HB2  . MET   A 1 18  ? -8.674  -14.297 6.994   1.000 15.456 0 130 MET   A HB2  1 c 
ATOM   279  H  HB3  . MET   A 1 18  ? -9.460  -12.940 7.187   1.000 15.419 0 130 MET   A HB3  1 c 
ATOM   280  H  HG2  . MET   A 1 18  ? -7.523  -11.722 7.229   1.000 16.901 0 130 MET   A HG2  1 c 
ATOM   281  H  HG3  . MET   A 1 18  ? -6.634  -13.030 7.376   1.000 17.042 0 130 MET   A HG3  1 c 
ATOM   282  H  HE1  . MET   A 1 18  ? -5.860  -11.783 3.724   1.000 23.967 0 130 MET   A HE1  1 c 
ATOM   283  H  HE2  . MET   A 1 18  ? -5.983  -10.932 5.062   1.000 23.631 0 130 MET   A HE2  1 c 
ATOM   284  H  HE3  . MET   A 1 18  ? -5.102  -12.259 5.041   1.000 23.776 0 130 MET   A HE3  1 c 
ATOM   285  N  N    . LEU   A 1 19  ? -7.998  -11.968 10.460  1.000 14.468 0 131 LEU   A N    1 ? 
ATOM   286  C  CA   . LEU   A 1 19  ? -8.061  -10.761 11.265  1.000 15.156 0 131 LEU   A CA   1 ? 
ATOM   287  C  C    . LEU   A 1 19  ? -7.029  -9.773  10.769  1.000 15.214 0 131 LEU   A C    1 ? 
ATOM   288  O  O    . LEU   A 1 19  ? -5.839  -10.035 10.854  1.000 17.203 0 131 LEU   A O    1 ? 
ATOM   289  C  CB   . LEU   A 1 19  ? -7.807  -11.129 12.725  1.000 17.315 0 131 LEU   A CB   1 ? 
ATOM   290  C  CG   . LEU   A 1 19  ? -7.828  -9.944  13.690  1.000 19.564 0 131 LEU   A CG   1 ? 
ATOM   291  C  CD1  . LEU   A 1 19  ? -9.201  -9.317  13.706  1.000 19.784 0 131 LEU   A CD1  1 ? 
ATOM   292  C  CD2  . LEU   A 1 19  ? -7.429  -10.347 15.090  1.000 21.854 0 131 LEU   A CD2  1 ? 
ATOM   293  H  H    . LEU   A 1 19  ? -7.226  -12.457 10.473  1.000 14.643 0 131 LEU   A H    1 c 
ATOM   294  H  HA   . LEU   A 1 19  ? -8.963  -10.365 11.175  1.000 15.320 0 131 LEU   A HA   1 c 
ATOM   295  H  HB2  . LEU   A 1 19  ? -8.495  -11.775 13.006  1.000 17.134 0 131 LEU   A HB2  1 c 
ATOM   296  H  HB3  . LEU   A 1 19  ? -6.927  -11.568 12.786  1.000 17.113 0 131 LEU   A HB3  1 c 
ATOM   297  H  HG   . LEU   A 1 19  ? -7.180  -9.266  13.369  1.000 19.381 0 131 LEU   A HG   1 c 
ATOM   298  H  HD11 . LEU   A 1 19  ? -9.399  -8.938  12.834  1.000 19.547 0 131 LEU   A HD11 1 c 
ATOM   299  H  HD12 . LEU   A 1 19  ? -9.227  -8.613  14.376  1.000 19.594 0 131 LEU   A HD12 1 c 
ATOM   300  H  HD13 . LEU   A 1 19  ? -9.864  -9.993  13.924  1.000 19.781 0 131 LEU   A HD13 1 c 
ATOM   301  H  HD21 . LEU   A 1 19  ? -6.535  -10.728 15.075  1.000 21.390 0 131 LEU   A HD21 1 c 
ATOM   302  H  HD22 . LEU   A 1 19  ? -8.056  -11.006 15.430  1.000 21.421 0 131 LEU   A HD22 1 c 
ATOM   303  H  HD23 . LEU   A 1 19  ? -7.437  -9.564  15.666  1.000 21.304 0 131 LEU   A HD23 1 c 
ATOM   304  N  N    . ILE   A 1 20  ? -7.517  -8.637  10.257  1.000 14.685 0 132 ILE   A N    1 ? 
ATOM   305  C  CA   . ILE   A 1 20  ? -6.655  -7.613  9.714   1.000 15.322 0 132 ILE   A CA   1 ? 
ATOM   306  C  C    . ILE   A 1 20  ? -6.553  -6.509  10.762  1.000 14.852 0 132 ILE   A C    1 ? 
ATOM   307  O  O    . ILE   A 1 20  ? -7.576  -6.009  11.219  1.000 16.610 0 132 ILE   A O    1 ? 
ATOM   308  C  CB   . ILE   A 1 20  ? -7.191  -7.115  8.364   1.000 17.254 0 132 ILE   A CB   1 ? 
ATOM   309  C  CG1  . ILE   A 1 20  ? -7.346  -8.243  7.323   1.000 19.328 0 132 ILE   A CG1  1 ? 
ATOM   310  C  CG2  . ILE   A 1 20  ? -6.281  -6.002  7.850   1.000 19.914 0 132 ILE   A CG2  1 ? 
ATOM   311  C  CD1  . ILE   A 1 20  ? -8.766  -8.667  7.030   1.000 22.906 0 132 ILE   A CD1  1 ? 
ATOM   312  H  H    . ILE   A 1 20  ? -8.420  -8.499  10.247  1.000 14.902 0 132 ILE   A H    1 c 
ATOM   313  H  HA   . ILE   A 1 20  ? -5.768  -7.995  9.570   1.000 15.321 0 132 ILE   A HA   1 c 
ATOM   314  H  HB   . ILE   A 1 20  ? -8.077  -6.731  8.520   1.000 17.443 0 132 ILE   A HB   1 c 
ATOM   315  H  HG12 . ILE   A 1 20  ? -6.933  -7.951  6.485   1.000 19.210 0 132 ILE   A HG12 1 c 
ATOM   316  H  HG13 . ILE   A 1 20  ? -6.850  -9.026  7.638   1.000 19.441 0 132 ILE   A HG13 1 c 
ATOM   317  H  HG21 . ILE   A 1 20  ? -6.593  -5.703  6.979   1.000 19.075 0 132 ILE   A HG21 1 c 
ATOM   318  H  HG22 . ILE   A 1 20  ? -5.372  -6.336  7.768   1.000 19.302 0 132 ILE   A HG22 1 c 
ATOM   319  H  HG23 . ILE   A 1 20  ? -6.295  -5.253  8.469   1.000 19.435 0 132 ILE   A HG23 1 c 
ATOM   320  H  HD11 . ILE   A 1 20  ? -9.184  -8.994  7.849   1.000 22.091 0 132 ILE   A HD11 1 c 
ATOM   321  H  HD12 . ILE   A 1 20  ? -8.763  -9.378  6.362   1.000 22.076 0 132 ILE   A HD12 1 c 
ATOM   322  H  HD13 . ILE   A 1 20  ? -9.272  -7.905  6.690   1.000 21.933 0 132 ILE   A HD13 1 c 
ATOM   323  N  N    . THR   A 1 21  ? -5.320  -6.146  11.108  1.000 14.824 0 133 THR   A N    1 ? 
ATOM   324  C  CA   . THR   A 1 21  ? -5.073  -5.130  12.130  1.000 14.193 0 133 THR   A CA   1 ? 
ATOM   325  C  C    . THR   A 1 21  ? -4.329  -3.945  11.507  1.000 14.907 0 133 THR   A C    1 ? 
ATOM   326  O  O    . THR   A 1 21  ? -3.247  -4.127  10.944  1.000 16.681 0 133 THR   A O    1 ? 
ATOM   327  C  CB   . THR   A 1 21  ? -4.264  -5.689  13.299  1.000 15.796 0 133 THR   A CB   1 ? 
ATOM   328  O  OG1  . THR   A 1 21  ? -5.022  -6.725  13.929  1.000 17.536 0 133 THR   A OG1  1 ? 
ATOM   329  C  CG2  . THR   A 1 21  ? -3.965  -4.630  14.341  1.000 16.254 0 133 THR   A CG2  1 ? 
ATOM   330  H  H    . THR   A 1 21  ? -4.604  -6.540  10.698  1.000 14.624 0 133 THR   A H    1 c 
ATOM   331  H  HA   . THR   A 1 21  ? -5.937  -4.817  12.474  1.000 14.594 0 133 THR   A HA   1 c 
ATOM   332  H  HB   . THR   A 1 21  ? -3.414  -6.064  12.964  1.000 15.855 0 133 THR   A HB   1 c 
ATOM   333  H  HG1  . THR   A 1 21  ? -5.773  -6.405  14.214  0.000 17.510 0 133 THR   A HG1  1 c 
ATOM   334  H  HG21 . THR   A 1 21  ? -3.491  -5.034  15.087  1.000 16.139 0 133 THR   A HG21 1 c 
ATOM   335  H  HG22 . THR   A 1 21  ? -4.799  -4.245  14.660  1.000 16.148 0 133 THR   A HG22 1 c 
ATOM   336  H  HG23 . THR   A 1 21  ? -3.414  -3.931  13.951  1.000 16.172 0 133 THR   A HG23 1 c 
ATOM   337  N  N    . ILE   A 1 22  ? -4.914  -2.739  11.639  1.000 13.637 0 134 ILE   A N    1 ? 
ATOM   338  C  CA   . ILE   A 1 22  ? -4.351  -1.496  11.141  1.000 13.616 0 134 ILE   A CA   1 ? 
ATOM   339  C  C    . ILE   A 1 22  ? -4.076  -0.628  12.366  1.000 12.421 0 134 ILE   A C    1 ? 
ATOM   340  O  O    . ILE   A 1 22  ? -5.007  -0.318  13.101  1.000 14.178 0 134 ILE   A O    1 ? 
ATOM   341  C  CB   . ILE   A 1 22  ? -5.312  -0.769  10.156  1.000 13.981 0 134 ILE   A CB   1 ? 
ATOM   342  C  CG1  . ILE   A 1 22  ? -5.772  -1.635  8.961   1.000 16.601 0 134 ILE   A CG1  1 ? 
ATOM   343  C  CG2  . ILE   A 1 22  ? -4.656  0.524   9.678   1.000 14.348 0 134 ILE   A CG2  1 ? 
ATOM   344  C  CD1  . ILE   A 1 22  ? -4.646  -2.303  8.229   1.000 20.501 0 134 ILE   A CD1  1 ? 
ATOM   345  H  H    . ILE   A 1 22  ? -5.719  -2.699  12.069  1.000 13.818 0 134 ILE   A H    1 c 
ATOM   346  H  HA   . ILE   A 1 22  ? -3.510  -1.686  10.685  1.000 13.461 0 134 ILE   A HA   1 c 
ATOM   347  H  HB   . ILE   A 1 22  ? -6.113  -0.523  10.659  1.000 14.119 0 134 ILE   A HB   1 c 
ATOM   348  H  HG12 . ILE   A 1 22  ? -6.386  -2.323  9.290   1.000 16.365 0 134 ILE   A HG12 1 c 
ATOM   349  H  HG13 . ILE   A 1 22  ? -6.265  -1.068  8.333   1.000 16.537 0 134 ILE   A HG13 1 c 
ATOM   350  H  HG21 . ILE   A 1 22  ? -5.234  0.961   9.030   1.000 14.130 0 134 ILE   A HG21 1 c 
ATOM   351  H  HG22 . ILE   A 1 22  ? -3.802  0.322   9.261   1.000 14.362 0 134 ILE   A HG22 1 c 
ATOM   352  H  HG23 . ILE   A 1 22  ? -4.514  1.119   10.432  1.000 14.323 0 134 ILE   A HG23 1 c 
ATOM   353  H  HD11 . ILE   A 1 22  ? -4.015  -1.627  7.917   1.000 19.346 0 134 ILE   A HD11 1 c 
ATOM   354  H  HD12 . ILE   A 1 22  ? -5.004  -2.789  7.461   1.000 19.511 0 134 ILE   A HD12 1 c 
ATOM   355  H  HD13 . ILE   A 1 22  ? -4.186  -2.927  8.819   1.000 19.212 0 134 ILE   A HD13 1 c 
ATOM   356  N  N    . LEU   A 1 23  ? -2.812  -0.259  12.553  1.000 11.971 0 135 LEU   A N    1 ? 
ATOM   357  C  CA   . LEU   A 1 23  ? -2.377  0.579   13.663  1.000 12.826 0 135 LEU   A CA   1 ? 
ATOM   358  C  C    . LEU   A 1 23  ? -1.900  1.896   13.078  1.000 12.962 0 135 LEU   A C    1 ? 
ATOM   359  O  O    . LEU   A 1 23  ? -1.127  1.944   12.102  1.000 13.841 0 135 LEU   A O    1 ? 
ATOM   360  C  CB   . LEU   A 1 23  ? -1.206  -0.071  14.391  1.000 14.693 0 135 LEU   A CB   1 ? 
ATOM   361  C  CG   . LEU   A 1 23  ? -1.541  -1.299  15.232  1.000 17.893 0 135 LEU   A CG   1 ? 
ATOM   362  C  CD1  . LEU   A 1 23  ? -0.299  -2.045  15.662  1.000 19.979 0 135 LEU   A CD1  1 ? 
ATOM   363  C  CD2  . LEU   A 1 23  ? -2.367  -0.879  16.379  1.000 20.238 0 135 LEU   A CD2  1 ? 
ATOM   364  H  H    . LEU   A 1 23  ? -2.181  -0.545  11.956  1.000 12.126 0 135 LEU   A H    1 c 
ATOM   365  H  HA   . LEU   A 1 23  ? -3.132  0.732   14.283  1.000 12.916 0 135 LEU   A HA   1 c 
ATOM   366  H  HB2  . LEU   A 1 23  ? -0.533  -0.330  13.719  1.000 14.604 0 135 LEU   A HB2  1 c 
ATOM   367  H  HB3  . LEU   A 1 23  ? -0.794  0.604   14.978  1.000 14.699 0 135 LEU   A HB3  1 c 
ATOM   368  H  HG   . LEU   A 1 23  ? -2.085  -1.913  14.675  1.000 17.436 0 135 LEU   A HG   1 c 
ATOM   369  H  HD11 . LEU   A 1 23  ? 0.183   -2.353  14.877  1.000 19.209 0 135 LEU   A HD11 1 c 
ATOM   370  H  HD12 . LEU   A 1 23  ? -0.551  -2.810  16.206  1.000 19.407 0 135 LEU   A HD12 1 c 
ATOM   371  H  HD13 . LEU   A 1 23  ? 0.272   -1.454  16.181  1.000 19.539 0 135 LEU   A HD13 1 c 
ATOM   372  H  HD21 . LEU   A 1 23  ? -3.206  -0.508  16.061  1.000 19.283 0 135 LEU   A HD21 1 c 
ATOM   373  H  HD22 . LEU   A 1 23  ? -1.890  -0.206  16.894  1.000 19.660 0 135 LEU   A HD22 1 c 
ATOM   374  H  HD23 . LEU   A 1 23  ? -2.550  -1.647  16.946  1.000 19.486 0 135 LEU   A HD23 1 c 
ATOM   375  N  N    . GLY   A 1 24  ? -2.319  2.981   13.698  1.000 13.661 0 136 GLY   A N    1 ? 
ATOM   376  C  CA   . GLY   A 1 24  ? -1.779  4.271   13.337  1.000 15.364 0 136 GLY   A CA   1 ? 
ATOM   377  C  C    . GLY   A 1 24  ? -2.190  5.351   14.321  1.000 14.970 0 136 GLY   A C    1 ? 
ATOM   378  O  O    . GLY   A 1 24  ? -2.674  5.058   15.416  1.000 16.359 0 136 GLY   A O    1 ? 
ATOM   379  H  H    . GLY   A 1 24  ? -2.952  2.926   14.354  1.000 13.704 0 136 GLY   A H    1 c 
ATOM   380  H  HA2  . GLY   A 1 24  ? -0.795  4.213   13.308  1.000 14.941 0 136 GLY   A HA2  1 c 
ATOM   381  H  HA3  . GLY   A 1 24  ? -2.096  4.510   12.435  1.000 15.047 0 136 GLY   A HA3  1 c 
ATOM   382  N  N    . THR   A 1 25  ? -1.999  6.590   13.892  1.000 14.634 0 137 THR   A N    1 ? 
ATOM   383  C  CA   . THR   A 1 25  ? -2.399  7.753   14.675  1.000 15.293 0 137 THR   A CA   1 ? 
ATOM   384  C  C    . THR   A 1 25  ? -3.199  8.691   13.784  1.000 15.259 0 137 THR   A C    1 ? 
ATOM   385  O  O    . THR   A 1 25  ? -2.802  8.968   12.651  1.000 16.107 0 137 THR   A O    1 ? 
ATOM   386  C  CB   . THR   A 1 25  ? -1.198  8.467   15.299  1.000 17.884 0 137 THR   A CB   1 ? 
ATOM   387  O  OG1  . THR   A 1 25  ? -0.520  7.524   16.131  1.000 19.943 0 137 THR   A OG1  1 ? 
ATOM   388  C  CG2  . THR   A 1 25  ? -1.576  9.625   16.223  1.000 18.392 0 137 THR   A CG2  1 ? 
ATOM   389  H  H    . THR   A 1 25  ? -1.601  6.725   13.080  1.000 14.740 0 137 THR   A H    1 c 
ATOM   390  H  HA   . THR   A 1 25  ? -2.981  7.447   15.402  1.000 15.416 0 137 THR   A HA   1 c 
ATOM   391  H  HB   . THR   A 1 25  ? -0.588  8.787   14.593  1.000 17.706 0 137 THR   A HB   1 c 
ATOM   392  H  HG1  . THR   A 1 25  ? -1.040  7.242   16.753  0.000 20.000 0 137 THR   A HG1  1 c 
ATOM   393  H  HG21 . THR   A 1 25  ? -0.769  10.023  16.591  1.000 18.161 0 137 THR   A HG21 1 c 
ATOM   394  H  HG22 . THR   A 1 25  ? -2.131  9.294   16.948  1.000 18.370 0 137 THR   A HG22 1 c 
ATOM   395  H  HG23 . THR   A 1 25  ? -2.067  10.297  15.721  1.000 18.273 0 137 THR   A HG23 1 c 
ATOM   396  N  N    . VAL   A 1 26  ? -4.337  9.183   14.270  1.000 14.464 0 138 VAL   A N    1 ? 
ATOM   397  C  CA   . VAL   A 1 26  ? -5.126  10.142  13.517  1.000 14.780 0 138 VAL   A CA   1 ? 
ATOM   398  C  C    . VAL   A 1 26  ? -4.392  11.468  13.522  1.000 16.684 0 138 VAL   A C    1 ? 
ATOM   399  O  O    . VAL   A 1 26  ? -3.945  11.911  14.569  1.000 19.039 0 138 VAL   A O    1 ? 
ATOM   400  C  CB   . VAL   A 1 26  ? -6.562  10.285  14.028  1.000 16.653 0 138 VAL   A CB   1 ? 
ATOM   401  C  CG1  . VAL   A 1 26  ? -7.370  11.252  13.174  1.000 17.418 0 138 VAL   A CG1  1 ? 
ATOM   402  C  CG2  . VAL   A 1 26  ? -7.236  8.935   14.093  1.000 18.516 0 138 VAL   A CG2  1 ? 
ATOM   403  H  H    . VAL   A 1 26  ? -4.624  8.925   15.098  1.000 14.635 0 138 VAL   A H    1 c 
ATOM   404  H  HA   . VAL   A 1 26  ? -5.173  9.827   12.593  1.000 15.054 0 138 VAL   A HA   1 c 
ATOM   405  H  HB   . VAL   A 1 26  ? -6.513  10.649  14.943  1.000 16.597 0 138 VAL   A HB   1 c 
ATOM   406  H  HG11 . VAL   A 1 26  ? -7.370  10.948  12.251  1.000 17.227 0 138 VAL   A HG11 1 c 
ATOM   407  H  HG12 . VAL   A 1 26  ? -6.975  12.137  13.222  1.000 17.370 0 138 VAL   A HG12 1 c 
ATOM   408  H  HG13 . VAL   A 1 26  ? -8.284  11.289  13.503  1.000 17.279 0 138 VAL   A HG13 1 c 
ATOM   409  H  HG21 . VAL   A 1 26  ? -8.158  9.047   14.377  1.000 17.995 0 138 VAL   A HG21 1 c 
ATOM   410  H  HG22 . VAL   A 1 26  ? -6.769  8.368   14.728  1.000 18.088 0 138 VAL   A HG22 1 c 
ATOM   411  H  HG23 . VAL   A 1 26  ? -7.217  8.520   13.214  1.000 18.210 0 138 VAL   A HG23 1 c 
ATOM   412  N  N    . LYS   A 1 27  ? -4.300  12.130  12.369  1.000 16.197 0 139 LYS   A N    1 ? 
ATOM   413  C  CA   . LYS   A 1 27  ? -3.656  13.431  12.299  1.000 18.563 0 139 LYS   A CA   1 ? 
ATOM   414  C  C    . LYS   A 1 27  ? -4.470  14.449  13.106  1.000 20.309 0 139 LYS   A C    1 ? 
ATOM   415  O  O    . LYS   A 1 27  ? -5.673  14.288  13.316  1.000 19.871 0 139 LYS   A O    1 ? 
ATOM   416  C  CB   . LYS   A 1 27  ? -3.475  13.891  10.844  1.000 20.529 0 139 LYS   A CB   1 ? 
ATOM   417  C  CG   . LYS   A 1 27  ? -2.489  13.042  10.091  1.000 22.995 0 139 LYS   A CG   1 ? 
ATOM   418  C  CD   . LYS   A 1 27  ? -2.164  13.514  8.686   1.000 28.050 0 139 LYS   A CD   1 ? 
ATOM   419  C  CE   . LYS   A 1 27  ? -0.931  12.866  8.143   1.000 32.202 0 139 LYS   A CE   1 ? 
ATOM   420  N  NZ   . LYS   A 1 27  ? -0.681  13.347  6.785   1.000 37.535 0 139 LYS   A NZ   1 ? 
ATOM   421  H  H    . LYS   A 1 27  ? -4.647  11.765  11.606  1.000 16.425 0 139 LYS   A H    1 c 
ATOM   422  H  HA   . LYS   A 1 27  ? -2.759  13.345  12.708  1.000 18.669 0 139 LYS   A HA   1 c 
ATOM   423  H  HB2  . LYS   A 1 27  ? -4.342  13.851  10.384  1.000 20.403 0 139 LYS   A HB2  1 c 
ATOM   424  H  HB3  . LYS   A 1 27  ? -3.169  14.822  10.830  1.000 20.319 0 139 LYS   A HB3  1 c 
ATOM   425  H  HG2  . LYS   A 1 27  ? -1.656  13.006  10.610  1.000 23.090 0 139 LYS   A HG2  1 c 
ATOM   426  H  HG3  . LYS   A 1 27  ? -2.844  12.128  10.041  1.000 23.081 0 139 LYS   A HG3  1 c 
ATOM   427  H  HD2  . LYS   A 1 27  ? -2.921  13.309  8.095   1.000 27.317 0 139 LYS   A HD2  1 c 
ATOM   428  H  HD3  . LYS   A 1 27  ? -2.038  14.488  8.694   1.000 27.372 0 139 LYS   A HD3  1 c 
ATOM   429  H  HE2  . LYS   A 1 27  ? -0.168  13.081  8.708   1.000 32.150 0 139 LYS   A HE2  1 c 
ATOM   430  H  HE3  . LYS   A 1 27  ? -1.043  11.899  8.128   1.000 31.865 0 139 LYS   A HE3  1 c 
ATOM   431  H  HZ1  . LYS   A 1 27  ? -0.576  14.247  6.792   1.000 36.314 0 139 LYS   A HZ1  1 c 
ATOM   432  H  HZ2  . LYS   A 1 27  ? -1.379  13.132  6.250   1.000 36.053 0 139 LYS   A HZ2  1 c 
ATOM   433  H  HZ3  . LYS   A 1 27  ? 0.072   12.963  6.460   1.000 36.309 0 139 LYS   A HZ3  1 c 
ATOM   434  N  N    A PRO   A 1 28  ? -3.852  15.516  13.654  0.500 22.540 0 140 PRO   A N    1 ? 
ATOM   435  N  N    B PRO   A 1 28  ? -3.860  15.580  13.520  0.500 23.921 0 140 PRO   A N    1 ? 
ATOM   436  C  CA   A PRO   A 1 28  ? -4.603  16.474  14.472  0.500 23.551 0 140 PRO   A CA   1 ? 
ATOM   437  C  CA   B PRO   A 1 28  ? -4.638  16.660  14.118  0.500 25.421 0 140 PRO   A CA   1 ? 
ATOM   438  C  C    A PRO   A 1 28  ? -5.801  17.185  13.830  0.500 22.471 0 140 PRO   A C    1 ? 
ATOM   439  C  C    B PRO   A 1 28  ? -5.484  17.218  12.978  0.500 25.390 0 140 PRO   A C    1 ? 
ATOM   440  O  O    A PRO   A 1 28  ? -6.797  17.436  14.509  0.500 22.851 0 140 PRO   A O    1 ? 
ATOM   441  O  O    B PRO   A 1 28  ? -5.082  17.129  11.818  0.500 25.278 0 140 PRO   A O    1 ? 
ATOM   442  C  CB   A PRO   A 1 28  ? -3.547  17.463  15.015  0.500 25.023 0 140 PRO   A CB   1 ? 
ATOM   443  C  CB   B PRO   A 1 28  ? -3.564  17.610  14.663  0.500 27.452 0 140 PRO   A CB   1 ? 
ATOM   444  C  CG   A PRO   A 1 28  ? -2.210  17.020  14.465  0.500 25.125 0 140 PRO   A CG   1 ? 
ATOM   445  C  CG   B PRO   A 1 28  ? -2.398  17.421  13.720  0.500 26.990 0 140 PRO   A CG   1 ? 
ATOM   446  C  CD   A PRO   A 1 28  ? -2.413  15.802  13.581  0.500 24.329 0 140 PRO   A CD   1 ? 
ATOM   447  C  CD   B PRO   A 1 28  ? -2.442  15.941  13.337  0.500 25.635 0 140 PRO   A CD   1 ? 
ATOM   448  H  HA   A PRO   A 1 28  ? -4.950  15.956  15.242  0.500 23.365 0 140 PRO   A HA   1 c 
ATOM   449  H  HA   B PRO   A 1 28  ? -5.207  16.316  14.852  0.500 25.356 0 140 PRO   A HA   1 c 
ATOM   450  H  HB2  A PRO   A 1 28  ? -3.752  18.383  14.722  0.500 24.823 0 140 PRO   A HB2  1 c 
ATOM   451  H  HB2  B PRO   A 1 28  ? -3.880  18.543  14.650  0.500 27.108 0 140 PRO   A HB2  1 c 
ATOM   452  H  HB3  A PRO   A 1 28  ? -3.535  17.451  16.001  0.500 24.685 0 140 PRO   A HB3  1 c 
ATOM   453  H  HB3  B PRO   A 1 28  ? -3.314  17.367  15.585  0.500 27.026 0 140 PRO   A HB3  1 c 
ATOM   454  H  HG2  A PRO   A 1 28  ? -1.807  17.744  13.942  0.500 25.015 0 140 PRO   A HG2  1 c 
ATOM   455  H  HG2  B PRO   A 1 28  ? -2.495  17.989  12.928  0.500 26.811 0 140 PRO   A HG2  1 c 
ATOM   456  H  HG3  A PRO   A 1 28  ? -1.599  16.801  15.200  0.500 24.939 0 140 PRO   A HG3  1 c 
ATOM   457  H  HG3  B PRO   A 1 28  ? -1.552  17.639  14.165  0.500 26.848 0 140 PRO   A HG3  1 c 
ATOM   458  H  HD2  A PRO   A 1 28  ? -2.139  15.991  12.657  0.500 24.079 0 140 PRO   A HD2  1 c 
ATOM   459  H  HD2  B PRO   A 1 28  ? -2.159  15.813  12.406  0.500 25.421 0 140 PRO   A HD2  1 c 
ATOM   460  H  HD3  A PRO   A 1 28  ? -1.888  15.041  13.916  0.500 24.028 0 140 PRO   A HD3  1 c 
ATOM   461  H  HD3  B PRO   A 1 28  ? -1.863  15.408  13.925  0.500 25.471 0 140 PRO   A HD3  1 c 
ATOM   462  N  N    A ASN   A 1 29  ? -5.759  17.510  12.532  0.500 22.216 0 141 ASN   A N    1 ? 
ATOM   463  N  N    B ASN   A 1 29  ? -6.695  17.678  13.312  0.500 27.171 0 141 ASN   A N    1 ? 
ATOM   464  C  CA   A ASN   A 1 29  ? -6.893  18.221  11.954  0.500 24.012 0 141 ASN   A CA   1 ? 
ATOM   465  C  CA   B ASN   A 1 29  ? -7.607  18.283  12.351  0.500 28.585 0 141 ASN   A CA   1 ? 
ATOM   466  C  C    A ASN   A 1 29  ? -7.718  17.319  11.034  0.500 24.997 0 141 ASN   A C    1 ? 
ATOM   467  C  C    B ASN   A 1 29  ? -7.807  17.357  11.145  0.500 27.485 0 141 ASN   A C    1 ? 
ATOM   468  O  O    A ASN   A 1 29  ? -8.228  17.780  10.014  0.500 26.043 0 141 ASN   A O    1 ? 
ATOM   469  O  O    B ASN   A 1 29  ? -7.883  17.815  10.009  0.500 29.574 0 141 ASN   A O    1 ? 
ATOM   470  C  CB   A ASN   A 1 29  ? -6.491  19.474  11.175  0.500 27.373 0 141 ASN   A CB   1 ? 
ATOM   471  C  CB   B ASN   A 1 29  ? -7.166  19.681  11.898  0.500 30.423 0 141 ASN   A CB   1 ? 
ATOM   472  C  CG   A ASN   A 1 29  ? -5.781  20.505  12.016  0.500 30.043 0 141 ASN   A CG   1 ? 
ATOM   473  C  CG   B ASN   A 1 29  ? -7.083  20.726  12.994  0.500 34.486 0 141 ASN   A CG   1 ? 
ATOM   474  O  OD1  A ASN   A 1 29  ? -4.840  21.147  11.533  0.500 33.536 0 141 ASN   A OD1  1 ? 
ATOM   475  O  OD1  B ASN   A 1 29  ? -7.973  20.846  13.846  0.500 37.248 0 141 ASN   A OD1  1 ? 
ATOM   476  N  ND2  A ASN   A 1 29  ? -6.234  20.715  13.247  0.500 31.582 0 141 ASN   A ND2  1 ? 
ATOM   477  N  ND2  B ASN   A 1 29  ? -6.031  21.535  12.970  0.500 37.165 0 141 ASN   A ND2  1 ? 
ATOM   478  H  H    A ASN   A 1 29  ? -5.040  17.293  12.011  0.500 22.386 0 141 ASN   A H    1 c 
ATOM   479  H  H    B ASN   A 1 29  ? -6.965  17.610  14.183  0.500 27.065 0 141 ASN   A H    1 c 
ATOM   480  H  HA   A ASN   A 1 29  ? -7.473  18.513  12.694  0.500 24.262 0 141 ASN   A HA   1 c 
ATOM   481  H  HA   B ASN   A 1 29  ? -8.478  18.388  12.795  0.500 28.383 0 141 ASN   A HA   1 c 
ATOM   482  H  HB2  A ASN   A 1 29  ? -5.906  19.213  10.436  0.500 27.100 0 141 ASN   A HB2  1 c 
ATOM   483  H  HB2  B ASN   A 1 29  ? -6.286  19.606  11.476  0.500 30.745 0 141 ASN   A HB2  1 c 
ATOM   484  H  HB3  A ASN   A 1 29  ? -7.294  19.879  10.792  0.500 27.128 0 141 ASN   A HB3  1 c 
ATOM   485  H  HB3  B ASN   A 1 29  ? -7.791  19.997  11.215  0.500 30.706 0 141 ASN   A HB3  1 c 
ATOM   486  H  HD21 A ASN   A 1 29  ? -6.942  20.267  13.540  0.500 31.135 0 141 ASN   A HD21 1 c 
ATOM   487  H  HD21 B ASN   A 1 29  ? -5.418  21.442  12.335  0.500 36.501 0 141 ASN   A HD21 1 c 
ATOM   488  H  HD22 A ASN   A 1 29  ? -5.830  21.304  13.773  0.500 31.281 0 141 ASN   A HD22 1 c 
ATOM   489  H  HD22 B ASN   A 1 29  ? -5.945  22.168  13.584  0.500 36.549 0 141 ASN   A HD22 1 c 
ATOM   490  N  N    . ALA   A 1 30  ? -7.908  16.049  11.407  1.000 24.825 0 142 ALA   A N    1 ? 
ATOM   491  C  CA   . ALA   A 1 30  ? -8.337  15.066  10.421  1.000 20.601 0 142 ALA   A CA   1 ? 
ATOM   492  C  C    . ALA   A 1 30  ? -9.718  15.387  9.856   1.000 18.956 0 142 ALA   A C    1 ? 
ATOM   493  O  O    . ALA   A 1 30  ? -10.598 15.813  10.581  1.000 20.624 0 142 ALA   A O    1 ? 
ATOM   494  C  CB   . ALA   A 1 30  ? -8.342  13.688  11.055  1.000 22.003 0 142 ALA   A CB   1 ? 
ATOM   495  H  H    . ALA   A 1 30  ? -7.738  15.772  12.260  1.000 24.381 0 142 ALA   A H    1 c 
ATOM   496  H  HA   . ALA   A 1 30  ? -7.683  15.077  9.669   1.000 21.019 0 142 ALA   A HA   1 c 
ATOM   497  H  HB1  . ALA   A 1 30  ? -7.445  13.465  11.355  1.000 21.626 0 142 ALA   A HB1  1 c 
ATOM   498  H  HB2  . ALA   A 1 30  ? -8.947  13.680  11.815  1.000 21.677 0 142 ALA   A HB2  1 c 
ATOM   499  H  HB3  . ALA   A 1 30  ? -8.635  13.029  10.403  1.000 21.806 0 142 ALA   A HB3  1 c 
ATOM   500  N  N    . ASN   A 1 31  ? -9.931  15.035  8.574   1.000 18.284 0 143 ASN   A N    1 ? 
ATOM   501  C  CA   . ASN   A 1 31  ? -11.221 15.143  7.916   1.000 18.779 0 143 ASN   A CA   1 ? 
ATOM   502  C  C    . ASN   A 1 31  ? -11.812 13.759  7.617   1.000 16.401 0 143 ASN   A C    1 ? 
ATOM   503  O  O    . ASN   A 1 31  ? -13.029 13.553  7.717   1.000 17.345 0 143 ASN   A O    1 ? 
ATOM   504  C  CB   . ASN   A 1 31  ? -11.124 15.967  6.621   1.000 20.338 0 143 ASN   A CB   1 ? 
ATOM   505  C  CG   . ASN   A 1 31  ? -10.800 17.407  6.905   1.000 25.563 0 143 ASN   A CG   1 ? 
ATOM   506  O  OD1  . ASN   A 1 31  ? -11.495 18.036  7.699   1.000 30.162 0 143 ASN   A OD1  1 ? 
ATOM   507  N  ND2  . ASN   A 1 31  ? -9.732  17.923  6.332   1.000 28.382 0 143 ASN   A ND2  1 ? 
ATOM   508  H  H    . ASN   A 1 31  ? -9.224  14.722  8.087   1.000 18.523 0 143 ASN   A H    1 c 
ATOM   509  H  HA   . ASN   A 1 31  ? -11.838 15.615  8.519   1.000 18.555 0 143 ASN   A HA   1 c 
ATOM   510  H  HB2  . ASN   A 1 31  ? -10.431 15.584  6.047   1.000 20.682 0 143 ASN   A HB2  1 c 
ATOM   511  H  HB3  . ASN   A 1 31  ? -11.976 15.917  6.142   1.000 20.693 0 143 ASN   A HB3  1 c 
ATOM   512  H  HD21 . ASN   A 1 31  ? -9.221  17.425  5.804   1.000 27.473 0 143 ASN   A HD21 1 c 
ATOM   513  H  HD22 . ASN   A 1 31  ? -9.522  18.773  6.475   1.000 27.639 0 143 ASN   A HD22 1 c 
ATOM   514  N  N    . ARG   A 1 32  ? -10.962 12.832  7.177   1.000 16.560 0 144 ARG   A N    1 ? 
ATOM   515  C  CA   . ARG   A 1 32  ? -11.463 11.544  6.724   1.000 16.819 0 144 ARG   A CA   1 ? 
ATOM   516  C  C    . ARG   A 1 32  ? -10.376 10.479  6.824   1.000 17.450 0 144 ARG   A C    1 ? 
ATOM   517  O  O    . ARG   A 1 32  ? -9.190  10.784  6.744   1.000 17.588 0 144 ARG   A O    1 ? 
ATOM   518  C  CB   . ARG   A 1 32  ? -11.880 11.700  5.245   1.000 18.819 0 144 ARG   A CB   1 ? 
ATOM   519  C  CG   . ARG   A 1 32  ? -10.745 12.137  4.334   1.000 23.333 0 144 ARG   A CG   1 ? 
ATOM   520  C  CD   . ARG   A 1 32  ? -11.215 12.508  2.920   1.000 28.327 0 144 ARG   A CD   1 ? 
ATOM   521  N  NE   . ARG   A 1 32  ? -10.103 12.950  2.069   1.000 29.758 0 144 ARG   A NE   1 ? 
ATOM   522  C  CZ   . ARG   A 1 32  ? -10.139 13.039  0.738   1.000 33.245 0 144 ARG   A CZ   1 ? 
ATOM   523  N  NH1  . ARG   A 1 32  ? -11.281 12.934  0.090   1.000 31.842 0 144 ARG   A NH1  1 ? 
ATOM   524  N  NH2  . ARG   A 1 32  ? -9.025  13.236  0.057   1.000 36.096 0 144 ARG   A NH2  1 ? 
ATOM   525  H  H    . ARG   A 1 32  ? -10.064 12.998  7.148   1.000 16.505 0 144 ARG   A H    1 c 
ATOM   526  H  HA   . ARG   A 1 32  ? -12.236 11.282  7.283   1.000 17.147 0 144 ARG   A HA   1 c 
ATOM   527  H  HB2  . ARG   A 1 32  ? -12.232 10.842  4.924   1.000 18.855 0 144 ARG   A HB2  1 c 
ATOM   528  H  HB3  . ARG   A 1 32  ? -12.604 12.359  5.189   1.000 18.901 0 144 ARG   A HB3  1 c 
ATOM   529  H  HG2  . ARG   A 1 32  ? -10.293 12.913  4.731   1.000 22.730 0 144 ARG   A HG2  1 c 
ATOM   530  H  HG3  . ARG   A 1 32  ? -10.088 11.411  4.267   1.000 22.678 0 144 ARG   A HG3  1 c 
ATOM   531  H  HD2  . ARG   A 1 32  ? -11.646 11.731  2.510   1.000 27.493 0 144 ARG   A HD2  1 c 
ATOM   532  H  HD3  . ARG   A 1 32  ? -11.879 13.225  2.980   1.000 27.380 0 144 ARG   A HD3  1 c 
ATOM   533  H  HE   . ARG   A 1 32  ? -9.360  13.175  2.463   1.000 30.420 0 144 ARG   A HE   1 c 
ATOM   534  H  HH11 . ARG   A 1 32  ? -11.284 12.656  -0.752  1.000 32.038 0 144 ARG   A HH11 1 c 
ATOM   535  H  HH12 . ARG   A 1 32  ? -12.040 13.146  0.494   1.000 32.136 0 144 ARG   A HH12 1 c 
ATOM   536  H  HH21 . ARG   A 1 32  ? -9.059  13.361  -0.817  1.000 35.732 0 144 ARG   A HH21 1 c 
ATOM   537  H  HH22 . ARG   A 1 32  ? -8.246  13.242  0.477   1.000 35.475 0 144 ARG   A HH22 1 c 
ATOM   538  N  N    . ILE   A 1 33  ? -10.853 9.234   6.917   1.000 14.734 0 145 ILE   A N    1 ? 
ATOM   539  C  CA   . ILE   A 1 33  ? -10.042 8.032   6.818   1.000 14.948 0 145 ILE   A CA   1 ? 
ATOM   540  C  C    . ILE   A 1 33  ? -10.793 7.073   5.890   1.000 13.349 0 145 ILE   A C    1 ? 
ATOM   541  O  O    . ILE   A 1 33  ? -12.014 7.057   5.910   1.000 14.058 0 145 ILE   A O    1 ? 
ATOM   542  C  CB   . ILE   A 1 33  ? -9.822  7.383   8.196   1.000 16.864 0 145 ILE   A CB   1 ? 
ATOM   543  C  CG1  . ILE   A 1 33  ? -9.193  8.339   9.198   1.000 19.414 0 145 ILE   A CG1  1 ? 
ATOM   544  C  CG2  . ILE   A 1 33  ? -9.044  6.055   8.081   1.000 17.163 0 145 ILE   A CG2  1 ? 
ATOM   545  C  CD1  . ILE   A 1 33  ? -9.163  7.801   10.607  1.000 20.694 0 145 ILE   A CD1  1 ? 
ATOM   546  H  H    . ILE   A 1 33  ? -11.751 9.130   7.055   1.000 15.224 0 145 ILE   A H    1 c 
ATOM   547  H  HA   . ILE   A 1 33  ? -9.177  8.256   6.423   1.000 14.944 0 145 ILE   A HA   1 c 
ATOM   548  H  HB   . ILE   A 1 33  ? -10.708 7.160   8.544   1.000 16.968 0 145 ILE   A HB   1 c 
ATOM   549  H  HG12 . ILE   A 1 33  ? -8.278  8.536   8.914   1.000 19.069 0 145 ILE   A HG12 1 c 
ATOM   550  H  HG13 . ILE   A 1 33  ? -9.695  9.178   9.194   1.000 19.092 0 145 ILE   A HG13 1 c 
ATOM   551  H  HG21 . ILE   A 1 33  ? -8.905  5.678   8.965   1.000 17.087 0 145 ILE   A HG21 1 c 
ATOM   552  H  HG22 . ILE   A 1 33  ? -8.182  6.218   7.662   1.000 17.099 0 145 ILE   A HG22 1 c 
ATOM   553  H  HG23 . ILE   A 1 33  ? -9.549  5.424   7.542   1.000 17.101 0 145 ILE   A HG23 1 c 
ATOM   554  H  HD11 . ILE   A 1 33  ? -10.070 7.576   10.888  1.000 20.373 0 145 ILE   A HD11 1 c 
ATOM   555  H  HD12 . ILE   A 1 33  ? -8.800  8.482   11.204  1.000 20.457 0 145 ILE   A HD12 1 c 
ATOM   556  H  HD13 . ILE   A 1 33  ? -8.603  7.003   10.651  1.000 20.387 0 145 ILE   A HD13 1 c 
ATOM   557  N  N    . ALA   A 1 34  ? -10.074 6.261   5.120   1.000 14.067 0 146 ALA   A N    1 ? 
ATOM   558  C  CA   . ALA   A 1 34  ? -10.727 5.220   4.331   1.000 13.689 0 146 ALA   A CA   1 ? 
ATOM   559  C  C    . ALA   A 1 34  ? -9.911  3.939   4.296   1.000 13.220 0 146 ALA   A C    1 ? 
ATOM   560  O  O    . ALA   A 1 34  ? -8.706  3.954   4.060   1.000 13.980 0 146 ALA   A O    1 ? 
ATOM   561  C  CB   . ALA   A 1 34  ? -11.016 5.700   2.933   1.000 15.260 0 146 ALA   A CB   1 ? 
ATOM   562  H  H    . ALA   A 1 34  ? -9.166  6.350   5.081   1.000 13.840 0 146 ALA   A H    1 c 
ATOM   563  H  HA   . ALA   A 1 34  ? -11.593 5.010   4.770   1.000 13.841 0 146 ALA   A HA   1 c 
ATOM   564  H  HB1  . ALA   A 1 34  ? -11.601 6.475   2.969   1.000 14.923 0 146 ALA   A HB1  1 c 
ATOM   565  H  HB2  . ALA   A 1 34  ? -10.186 5.945   2.493   1.000 14.931 0 146 ALA   A HB2  1 c 
ATOM   566  H  HB3  . ALA   A 1 34  ? -11.451 4.993   2.428   1.000 14.960 0 146 ALA   A HB3  1 c 
ATOM   567  N  N    . LEU   A 1 35  ? -10.641 2.836   4.499   1.000 12.641 0 147 LEU   A N    1 ? 
ATOM   568  C  CA   . LEU   A 1 35  ? -10.173 1.499   4.157   1.000 12.709 0 147 LEU   A CA   1 ? 
ATOM   569  C  C    . LEU   A 1 35  ? -10.987 1.007   2.974   1.000 11.713 0 147 LEU   A C    1 ? 
ATOM   570  O  O    . LEU   A 1 35  ? -12.189 1.101   2.997   1.000 13.096 0 147 LEU   A O    1 ? 
ATOM   571  C  CB   . LEU   A 1 35  ? -10.321 0.509   5.301   1.000 13.955 0 147 LEU   A CB   1 ? 
ATOM   572  C  CG   . LEU   A 1 35  ? -9.673  0.837   6.636   1.000 17.338 0 147 LEU   A CG   1 ? 
ATOM   573  C  CD1  . LEU   A 1 35  ? -9.987  -0.287  7.629   1.000 18.838 0 147 LEU   A CD1  1 ? 
ATOM   574  C  CD2  . LEU   A 1 35  ? -8.209  1.056   6.540   1.000 21.036 0 147 LEU   A CD2  1 ? 
ATOM   575  H  H    . LEU   A 1 35  ? -11.469 2.919   4.876   1.000 12.784 0 147 LEU   A H    1 c 
ATOM   576  H  HA   . LEU   A 1 35  ? -9.221  1.555   3.896   1.000 12.717 0 147 LEU   A HA   1 c 
ATOM   577  H  HB2  . LEU   A 1 35  ? -11.284 0.372   5.457   1.000 14.019 0 147 LEU   A HB2  1 c 
ATOM   578  H  HB3  . LEU   A 1 35  ? -9.967  -0.358  4.997   1.000 14.010 0 147 LEU   A HB3  1 c 
ATOM   579  H  HG   . LEU   A 1 35  ? -10.083 1.673   6.980   1.000 17.192 0 147 LEU   A HG   1 c 
ATOM   580  H  HD11 . LEU   A 1 35  ? -10.949 -0.363  7.741   1.000 18.510 0 147 LEU   A HD11 1 c 
ATOM   581  H  HD12 . LEU   A 1 35  ? -9.577  -0.087  8.487   1.000 18.489 0 147 LEU   A HD12 1 c 
ATOM   582  H  HD13 . LEU   A 1 35  ? -9.634  -1.127  7.291   1.000 18.572 0 147 LEU   A HD13 1 c 
ATOM   583  H  HD21 . LEU   A 1 35  ? -8.029  1.807   5.949   1.000 19.990 0 147 LEU   A HD21 1 c 
ATOM   584  H  HD22 . LEU   A 1 35  ? -7.784  0.257   6.186   1.000 20.176 0 147 LEU   A HD22 1 c 
ATOM   585  H  HD23 . LEU   A 1 35  ? -7.851  1.248   7.423   1.000 20.100 0 147 LEU   A HD23 1 c 
ATOM   586  N  N    . ASP   A 1 36  ? -10.305 0.471   1.966   1.000 12.132 0 148 ASP   A N    1 ? 
ATOM   587  C  CA   . ASP   A 1 36  ? -10.958 -0.054  0.772   1.000 12.015 0 148 ASP   A CA   1 ? 
ATOM   588  C  C    . ASP   A 1 36  ? -10.524 -1.487  0.469   1.000 12.196 0 148 ASP   A C    1 ? 
ATOM   589  O  O    . ASP   A 1 36  ? -9.403  -1.691  0.011   1.000 12.450 0 148 ASP   A O    1 ? 
ATOM   590  C  CB   . ASP   A 1 36  ? -10.659 0.841   -0.409  1.000 13.855 0 148 ASP   A CB   1 ? 
ATOM   591  C  CG   . ASP   A 1 36  ? -11.314 2.210   -0.361  1.000 15.878 0 148 ASP   A CG   1 ? 
ATOM   592  O  OD1  . ASP   A 1 36  ? -12.514 2.265   -0.664  1.000 17.208 0 148 ASP   A OD1  1 ? 
ATOM   593  O  OD2  . ASP   A 1 36  ? -10.629 3.185   0.015   1.000 20.655 0 148 ASP   A OD2  1 ? 
ATOM   594  H  H    . ASP   A 1 36  ? -9.393  0.427   2.019   1.000 12.031 0 148 ASP   A H    1 c 
ATOM   595  H  HA   . ASP   A 1 36  ? -11.930 -0.045  0.917   1.000 12.294 0 148 ASP   A HA   1 c 
ATOM   596  H  HB2  . ASP   A 1 36  ? -9.689  0.968   -0.469  1.000 13.737 0 148 ASP   A HB2  1 c 
ATOM   597  H  HB3  . ASP   A 1 36  ? -10.954 0.392   -1.229  1.000 13.751 0 148 ASP   A HB3  1 c 
ATOM   598  N  N    . PHE   A 1 37  ? -11.403 -2.450  0.791   1.000 10.940 0 149 PHE   A N    1 ? 
ATOM   599  C  CA   . PHE   A 1 37  ? -11.145 -3.839  0.437   1.000 11.268 0 149 PHE   A CA   1 ? 
ATOM   600  C  C    . PHE   A 1 37  ? -11.598 -4.023  -1.011  1.000 10.791 0 149 PHE   A C    1 ? 
ATOM   601  O  O    . PHE   A 1 37  ? -12.782 -3.895  -1.268  1.000 11.576 0 149 PHE   A O    1 ? 
ATOM   602  C  CB   . PHE   A 1 37  ? -11.928 -4.787  1.345   1.000 11.957 0 149 PHE   A CB   1 ? 
ATOM   603  C  CG   . PHE   A 1 37  ? -11.379 -4.856  2.754   1.000 13.194 0 149 PHE   A CG   1 ? 
ATOM   604  C  CD1  . PHE   A 1 37  ? -11.768 -3.951  3.739   1.000 13.509 0 149 PHE   A CD1  1 ? 
ATOM   605  C  CD2  . PHE   A 1 37  ? -10.460 -5.833  3.081   1.000 13.742 0 149 PHE   A CD2  1 ? 
ATOM   606  C  CE1  . PHE   A 1 37  ? -11.232 -4.014  5.015   1.000 15.680 0 149 PHE   A CE1  1 ? 
ATOM   607  C  CE2  . PHE   A 1 37  ? -9.915  -5.894  4.354   1.000 15.773 0 149 PHE   A CE2  1 ? 
ATOM   608  C  CZ   . PHE   A 1 37  ? -10.331 -5.018  5.331   1.000 16.863 0 149 PHE   A CZ   1 ? 
ATOM   609  H  H    . PHE   A 1 37  ? -12.171 -2.239  1.239   1.000 11.216 0 149 PHE   A H    1 c 
ATOM   610  H  HA   . PHE   A 1 37  ? -10.172 -4.029  0.514   1.000 11.203 0 149 PHE   A HA   1 c 
ATOM   611  H  HB2  . PHE   A 1 37  ? -12.864 -4.487  1.380   1.000 11.964 0 149 PHE   A HB2  1 c 
ATOM   612  H  HB3  . PHE   A 1 37  ? -11.911 -5.686  0.950   1.000 11.963 0 149 PHE   A HB3  1 c 
ATOM   613  H  HD1  . PHE   A 1 37  ? -12.393 -3.276  3.528   1.000 13.797 0 149 PHE   A HD1  1 c 
ATOM   614  H  HD2  . PHE   A 1 37  ? -10.180 -6.449  2.422   1.000 13.698 0 149 PHE   A HD2  1 c 
ATOM   615  H  HE1  . PHE   A 1 37  ? -11.514 -3.403  5.677   1.000 15.380 0 149 PHE   A HE1  1 c 
ATOM   616  H  HE2  . PHE   A 1 37  ? -9.299  -6.577  4.567   1.000 15.375 0 149 PHE   A HE2  1 c 
ATOM   617  H  HZ   . PHE   A 1 37  ? -9.959  -5.063  6.198   1.000 16.235 0 149 PHE   A HZ   1 c 
ATOM   618  N  N    . GLN   A 1 38  ? -10.639 -4.302  -1.902  1.000 10.165 0 150 GLN   A N    1 ? 
ATOM   619  C  CA   . GLN   A 1 38  ? -10.903 -4.273  -3.343  1.000 11.476 0 150 GLN   A CA   1 ? 
ATOM   620  C  C    . GLN   A 1 38  ? -10.917 -5.678  -3.939  1.000 11.752 0 150 GLN   A C    1 ? 
ATOM   621  O  O    . GLN   A 1 38  ? -10.032 -6.481  -3.654  1.000 12.169 0 150 GLN   A O    1 ? 
ATOM   622  C  CB   . GLN   A 1 38  ? -9.804  -3.455  -4.015  1.000 14.753 0 150 GLN   A CB   1 ? 
ATOM   623  C  CG   . GLN   A 1 38  ? -9.774  -1.988  -3.574  1.000 18.739 0 150 GLN   A CG   1 ? 
ATOM   624  C  CD   . GLN   A 1 38  ? -10.169 -0.912  -4.553  1.000 22.051 0 150 GLN   A CD   1 ? 
ATOM   625  O  OE1  . GLN   A 1 38  ? -9.970  0.251   -4.210  1.000 28.948 0 150 GLN   A OE1  1 ? 
ATOM   626  N  NE2  . GLN   A 1 38  ? -10.634 -1.192  -5.765  1.000 25.900 0 150 GLN   A NE2  1 ? 
ATOM   627  H  H    . GLN   A 1 38  ? -9.800  -4.517  -1.611  1.000 10.488 0 150 GLN   A H    1 c 
ATOM   628  H  HA   . GLN   A 1 38  ? -11.779 -3.842  -3.498  1.000 11.570 0 150 GLN   A HA   1 c 
ATOM   629  H  HB2  . GLN   A 1 38  ? -8.939  -3.865  -3.809  1.000 14.393 0 150 GLN   A HB2  1 c 
ATOM   630  H  HB3  . GLN   A 1 38  ? -9.928  -3.498  -4.985  1.000 14.480 0 150 GLN   A HB3  1 c 
ATOM   631  H  HG2  . GLN   A 1 38  ? -10.357 -1.889  -2.792  1.000 18.030 0 150 GLN   A HG2  1 c 
ATOM   632  H  HG3  . GLN   A 1 38  ? -8.864  -1.779  -3.274  1.000 18.371 0 150 GLN   A HG3  1 c 
ATOM   633  H  HE21 . GLN   A 1 38  ? -10.997 -1.984  -5.939  1.000 24.618 0 150 GLN   A HE21 1 c 
ATOM   634  H  HE22 . GLN   A 1 38  ? -10.589 -0.575  -6.403  1.000 24.848 0 150 GLN   A HE22 1 c 
ATOM   635  N  N    . ARG   A 1 39  ? -11.848 -5.870  -4.880  1.000 10.953 0 151 ARG   A N    1 ? 
ATOM   636  C  CA   . ARG   A 1 39  ? -11.852 -6.983  -5.822  1.000 11.427 0 151 ARG   A CA   1 ? 
ATOM   637  C  C    . ARG   A 1 39  ? -11.680 -6.358  -7.211  1.000 11.146 0 151 ARG   A C    1 ? 
ATOM   638  O  O    . ARG   A 1 39  ? -12.648 -5.911  -7.819  1.000 11.798 0 151 ARG   A O    1 ? 
ATOM   639  C  CB   . ARG   A 1 39  ? -13.160 -7.793  -5.703  1.000 11.639 0 151 ARG   A CB   1 ? 
ATOM   640  C  CG   . ARG   A 1 39  ? -13.254 -8.860  -6.786  1.000 13.200 0 151 ARG   A CG   1 ? 
ATOM   641  C  CD   . ARG   A 1 39  ? -14.482 -9.748  -6.598  1.000 17.060 0 151 ARG   A CD   1 ? 
ATOM   642  N  NE   . ARG   A 1 39  ? -14.687 -10.658 -7.708  1.000 17.282 0 151 ARG   A NE   1 ? 
ATOM   643  C  CZ   . ARG   A 1 39  ? -15.519 -10.527 -8.743  1.000 18.065 0 151 ARG   A CZ   1 ? 
ATOM   644  N  NH1  . ARG   A 1 39  ? -16.454 -9.596  -8.783  1.000 19.947 0 151 ARG   A NH1  1 ? 
ATOM   645  N  NH2  . ARG   A 1 39  ? -15.464 -11.427 -9.709  1.000 21.044 0 151 ARG   A NH2  1 ? 
ATOM   646  H  H    . ARG   A 1 39  ? -12.529 -5.263  -4.937  1.000 11.139 0 151 ARG   A H    1 c 
ATOM   647  H  HA   . ARG   A 1 39  ? -11.079 -7.570  -5.629  1.000 11.361 0 151 ARG   A HA   1 c 
ATOM   648  H  HB2  . ARG   A 1 39  ? -13.198 -8.221  -4.822  1.000 11.645 0 151 ARG   A HB2  1 c 
ATOM   649  H  HB3  . ARG   A 1 39  ? -13.927 -7.185  -5.780  1.000 11.837 0 151 ARG   A HB3  1 c 
ATOM   650  H  HG2  . ARG   A 1 39  ? -13.305 -8.430  -7.667  1.000 13.322 0 151 ARG   A HG2  1 c 
ATOM   651  H  HG3  . ARG   A 1 39  ? -12.447 -9.417  -6.764  1.000 13.369 0 151 ARG   A HG3  1 c 
ATOM   652  H  HD2  . ARG   A 1 39  ? -14.371 -10.268 -5.775  1.000 16.390 0 151 ARG   A HD2  1 c 
ATOM   653  H  HD3  . ARG   A 1 39  ? -15.272 -9.184  -6.488  1.000 16.285 0 151 ARG   A HD3  1 c 
ATOM   654  H  HE   . ARG   A 1 39  ? -14.208 -11.386 -7.699  1.000 17.533 0 151 ARG   A HE   1 c 
ATOM   655  H  HH11 . ARG   A 1 39  ? -16.952 -9.506  -9.508  1.000 19.604 0 151 ARG   A HH11 1 c 
ATOM   656  H  HH12 . ARG   A 1 39  ? -16.588 -9.063  -8.092  1.000 19.442 0 151 ARG   A HH12 1 c 
ATOM   657  H  HH21 . ARG   A 1 39  ? -16.008 -11.362 -10.403 1.000 20.260 0 151 ARG   A HH21 1 c 
ATOM   658  H  HH22 . ARG   A 1 39  ? -14.886 -12.094 -9.662  1.000 20.288 0 151 ARG   A HH22 1 c 
ATOM   659  N  N    . GLY   A 1 40  ? -10.431 -6.308  -7.686  1.000 11.387 0 152 GLY   A N    1 ? 
ATOM   660  C  CA   . GLY   A 1 40  ? -10.147 -5.561  -8.895  1.000 11.132 0 152 GLY   A CA   1 ? 
ATOM   661  C  C    . GLY   A 1 40  ? -10.545 -4.090  -8.714  1.000 11.396 0 152 GLY   A C    1 ? 
ATOM   662  O  O    . GLY   A 1 40  ? -10.181 -3.470  -7.711  1.000 12.636 0 152 GLY   A O    1 ? 
ATOM   663  H  H    . GLY   A 1 40  ? -9.752  -6.742  -7.256  1.000 11.238 0 152 GLY   A H    1 c 
ATOM   664  H  HA2  . GLY   A 1 40  ? -9.184  -5.623  -9.098  1.000 11.238 0 152 GLY   A HA2  1 c 
ATOM   665  H  HA3  . GLY   A 1 40  ? -10.646 -5.955  -9.646  1.000 11.238 0 152 GLY   A HA3  1 c 
ATOM   666  N  N    . ASN   A 1 41  ? -11.369 -3.545  -9.616  1.000 11.666 0 153 ASN   A N    1 ? 
ATOM   667  C  CA   . ASN   A 1 41  ? -11.838 -2.159  -9.480  1.000 11.705 0 153 ASN   A CA   1 ? 
ATOM   668  C  C    . ASN   A 1 41  ? -13.014 -2.037  -8.511  1.000 12.457 0 153 ASN   A C    1 ? 
ATOM   669  O  O    . ASN   A 1 41  ? -13.394 -0.926  -8.106  1.000 14.044 0 153 ASN   A O    1 ? 
ATOM   670  C  CB   . ASN   A 1 41  ? -12.228 -1.566  -10.842 1.000 11.712 0 153 ASN   A CB   1 ? 
ATOM   671  C  CG   . ASN   A 1 41  ? -12.595 -0.103  -10.722 1.000 12.800 0 153 ASN   A CG   1 ? 
ATOM   672  O  OD1  . ASN   A 1 41  ? -11.749 0.703   -10.328 1.000 14.214 0 153 ASN   A OD1  1 ? 
ATOM   673  N  ND2  . ASN   A 1 41  ? -13.857 0.196   -11.001 1.000 14.892 0 153 ASN   A ND2  1 ? 
ATOM   674  H  H    . ASN   A 1 41  ? -11.647 -4.038  -10.334 1.000 11.789 0 153 ASN   A H    1 c 
ATOM   675  H  HA   . ASN   A 1 41  ? -11.095 -1.618  -9.128  1.000 11.825 0 153 ASN   A HA   1 c 
ATOM   676  H  HB2  . ASN   A 1 41  ? -11.479 -1.659  -11.462 1.000 11.845 0 153 ASN   A HB2  1 c 
ATOM   677  H  HB3  . ASN   A 1 41  ? -12.986 -2.064  -11.206 1.000 11.944 0 153 ASN   A HB3  1 c 
ATOM   678  H  HD21 . ASN   A 1 41  ? -14.435 -0.442  -11.212 1.000 14.249 0 153 ASN   A HD21 1 c 
ATOM   679  H  HD22 . ASN   A 1 41  ? -14.123 1.042   -10.976 1.000 14.254 0 153 ASN   A HD22 1 c 
ATOM   680  N  N    . ASP   A 1 42  ? -13.670 -3.160  -8.189  1.000 12.254 0 154 ASP   A N    1 ? 
ATOM   681  C  CA   . ASP   A 1 42  ? -14.767 -3.101  -7.240  1.000 12.019 0 154 ASP   A CA   1 ? 
ATOM   682  C  C    . ASP   A 1 42  ? -14.244 -2.912  -5.811  1.000 11.231 0 154 ASP   A C    1 ? 
ATOM   683  O  O    . ASP   A 1 42  ? -13.168 -3.410  -5.473  1.000 12.196 0 154 ASP   A O    1 ? 
ATOM   684  C  CB   . ASP   A 1 42  ? -15.670 -4.306  -7.365  1.000 12.808 0 154 ASP   A CB   1 ? 
ATOM   685  C  CG   . ASP   A 1 42  ? -16.570 -4.290  -8.587  1.000 14.562 0 154 ASP   A CG   1 ? 
ATOM   686  O  OD1  . ASP   A 1 42  ? -16.593 -3.257  -9.340  1.000 15.479 0 154 ASP   A OD1  1 ? 
ATOM   687  O  OD2  . ASP   A 1 42  ? -17.274 -5.305  -8.767  1.000 14.845 0 154 ASP   A OD2  1 ? 
ATOM   688  H  H    . ASP   A 1 42  ? -13.441 -3.961  -8.564  1.000 12.191 0 154 ASP   A H    1 c 
ATOM   689  H  HA   . ASP   A 1 42  ? -15.317 -2.319  -7.463  1.000 12.106 0 154 ASP   A HA   1 c 
ATOM   690  H  HB2  . ASP   A 1 42  ? -15.120 -5.116  -7.398  1.000 12.889 0 154 ASP   A HB2  1 c 
ATOM   691  H  HB3  . ASP   A 1 42  ? -16.238 -4.360  -6.569  1.000 12.791 0 154 ASP   A HB3  1 c 
ATOM   692  N  N    . VAL   A 1 43  ? -15.023 -2.189  -5.004  1.000 10.713 0 155 VAL   A N    1 ? 
ATOM   693  C  CA   . VAL   A 1 43  ? -14.724 -2.052  -3.584  1.000 11.024 0 155 VAL   A CA   1 ? 
ATOM   694  C  C    . VAL   A 1 43  ? -15.754 -2.869  -2.827  1.000 10.745 0 155 VAL   A C    1 ? 
ATOM   695  O  O    . VAL   A 1 43  ? -16.906 -2.490  -2.703  1.000 11.756 0 155 VAL   A O    1 ? 
ATOM   696  C  CB   . VAL   A 1 43  ? -14.679 -0.588  -3.155  1.000 12.023 0 155 VAL   A CB   1 ? 
ATOM   697  C  CG1  . VAL   A 1 43  ? -14.336 -0.539  -1.680  1.000 12.165 0 155 VAL   A CG1  1 ? 
ATOM   698  C  CG2  . VAL   A 1 43  ? -13.697 0.222   -3.976  1.000 13.163 0 155 VAL   A CG2  1 ? 
ATOM   699  H  H    . VAL   A 1 43  ? -15.761 -1.769  -5.342  1.000 10.807 0 155 VAL   A H    1 c 
ATOM   700  H  HA   . VAL   A 1 43  ? -13.843 -2.440  -3.418  1.000 11.087 0 155 VAL   A HA   1 c 
ATOM   701  H  HB   . VAL   A 1 43  ? -15.581 -0.213  -3.284  1.000 12.026 0 155 VAL   A HB   1 c 
ATOM   702  H  HG11 . VAL   A 1 43  ? -13.500 -1.010  -1.525  1.000 12.154 0 155 VAL   A HG11 1 c 
ATOM   703  H  HG12 . VAL   A 1 43  ? -15.044 -0.960  -1.164  1.000 12.159 0 155 VAL   A HG12 1 c 
ATOM   704  H  HG13 . VAL   A 1 43  ? -14.241 0.386   -1.401  1.000 12.027 0 155 VAL   A HG13 1 c 
ATOM   705  H  HG21 . VAL   A 1 43  ? -13.690 1.141   -3.659  1.000 12.883 0 155 VAL   A HG21 1 c 
ATOM   706  H  HG22 . VAL   A 1 43  ? -13.961 0.205   -4.911  1.000 13.012 0 155 VAL   A HG22 1 c 
ATOM   707  H  HG23 . VAL   A 1 43  ? -12.807 -0.157  -3.884  1.000 12.901 0 155 VAL   A HG23 1 c 
ATOM   708  N  N    . ALA   A 1 44  ? -15.310 -4.050  -2.343  1.000 10.590 0 156 ALA   A N    1 ? 
ATOM   709  C  CA   . ALA   A 1 44  ? -16.206 -4.919  -1.596  1.000 11.334 0 156 ALA   A CA   1 ? 
ATOM   710  C  C    . ALA   A 1 44  ? -16.659 -4.250  -0.301  1.000 11.055 0 156 ALA   A C    1 ? 
ATOM   711  O  O    . ALA   A 1 44  ? -17.823 -4.382  0.087   1.000 11.881 0 156 ALA   A O    1 ? 
ATOM   712  C  CB   . ALA   A 1 44  ? -15.516 -6.229  -1.269  1.000 12.370 0 156 ALA   A CB   1 ? 
ATOM   713  H  H    . ALA   A 1 44  ? -14.446 -4.312  -2.484  1.000 10.706 0 156 ALA   A H    1 c 
ATOM   714  H  HA   . ALA   A 1 44  ? -17.010 -5.099  -2.155  1.000 11.248 0 156 ALA   A HA   1 c 
ATOM   715  H  HB1  . ALA   A 1 44  ? -15.259 -6.677  -2.092  1.000 12.181 0 156 ALA   A HB1  1 c 
ATOM   716  H  HB2  . ALA   A 1 44  ? -14.722 -6.057  -0.736  1.000 12.159 0 156 ALA   A HB2  1 c 
ATOM   717  H  HB3  . ALA   A 1 44  ? -16.122 -6.801  -0.768  1.000 12.102 0 156 ALA   A HB3  1 c 
ATOM   718  N  N    . PHE   A 1 45  ? -15.717 -3.556  0.349   1.000 10.664 0 157 PHE   A N    1 ? 
ATOM   719  C  CA   . PHE   A 1 45  ? -16.001 -2.950  1.643   1.000 10.488 0 157 PHE   A CA   1 ? 
ATOM   720  C  C    . PHE   A 1 45  ? -15.159 -1.694  1.806   1.000 10.427 0 157 PHE   A C    1 ? 
ATOM   721  O  O    . PHE   A 1 45  ? -13.939 -1.751  1.860   1.000 10.680 0 157 PHE   A O    1 ? 
ATOM   722  C  CB   . PHE   A 1 45  ? -15.771 -3.954  2.774   1.000 11.115 0 157 PHE   A CB   1 ? 
ATOM   723  C  CG   . PHE   A 1 45  ? -15.998 -3.419  4.184   1.000 10.960 0 157 PHE   A CG   1 ? 
ATOM   724  C  CD1  . PHE   A 1 45  ? -17.057 -2.575  4.509   1.000 11.499 0 157 PHE   A CD1  1 ? 
ATOM   725  C  CD2  . PHE   A 1 45  ? -15.133 -3.797  5.190   1.000 11.998 0 157 PHE   A CD2  1 ? 
ATOM   726  C  CE1  . PHE   A 1 45  ? -17.201 -2.110  5.824   1.000 11.748 0 157 PHE   A CE1  1 ? 
ATOM   727  C  CE2  . PHE   A 1 45  ? -15.293 -3.345  6.488   1.000 11.781 0 157 PHE   A CE2  1 ? 
ATOM   728  C  CZ   . PHE   A 1 45  ? -16.326 -2.501  6.791   1.000 12.159 0 157 PHE   A CZ   1 ? 
ATOM   729  H  H    . PHE   A 1 45  ? -14.883 -3.464  -0.013  1.000 10.674 0 157 PHE   A H    1 c 
ATOM   730  H  HA   . PHE   A 1 45  ? -16.959 -2.687  1.656   1.000 10.632 0 157 PHE   A HA   1 c 
ATOM   731  H  HB2  . PHE   A 1 45  ? -16.369 -4.721  2.630   1.000 10.974 0 157 PHE   A HB2  1 c 
ATOM   732  H  HB3  . PHE   A 1 45  ? -14.848 -4.285  2.708   1.000 11.000 0 157 PHE   A HB3  1 c 
ATOM   733  H  HD1  . PHE   A 1 45  ? -17.661 -2.298  3.839   1.000 11.389 0 157 PHE   A HD1  1 c 
ATOM   734  H  HD2  . PHE   A 1 45  ? -14.415 -4.375  4.986   1.000 11.649 0 157 PHE   A HD2  1 c 
ATOM   735  H  HE1  . PHE   A 1 45  ? -17.917 -1.536  6.042   1.000 11.742 0 157 PHE   A HE1  1 c 
ATOM   736  H  HE2  . PHE   A 1 45  ? -14.686 -3.611  7.159   1.000 11.713 0 157 PHE   A HE2  1 c 
ATOM   737  H  HZ   . PHE   A 1 45  ? -16.436 -2.193  7.677   1.000 11.944 0 157 PHE   A HZ   1 c 
ATOM   738  N  N    . HIS   A 1 46  ? -15.884 -0.565  1.792   1.000 11.121 0 158 HIS   A N    1 ? 
ATOM   739  C  CA   . HIS   A 1 46  ? -15.345 0.765   2.036   1.000 11.178 0 158 HIS   A CA   1 ? 
ATOM   740  C  C    . HIS   A 1 46  ? -15.773 1.160   3.446   1.000 10.409 0 158 HIS   A C    1 ? 
ATOM   741  O  O    . HIS   A 1 46  ? -16.953 1.220   3.695   1.000 12.219 0 158 HIS   A O    1 ? 
ATOM   742  C  CB   . HIS   A 1 46  ? -15.883 1.734   0.992   1.000 11.499 0 158 HIS   A CB   1 ? 
ATOM   743  C  CG   . HIS   A 1 46  ? -15.521 3.168   1.112   1.000 12.069 0 158 HIS   A CG   1 ? 
ATOM   744  N  ND1  . HIS   A 1 46  ? -14.308 3.676   0.713   1.000 12.671 0 158 HIS   A ND1  1 ? 
ATOM   745  C  CD2  . HIS   A 1 46  ? -16.272 4.221   1.528   1.000 12.840 0 158 HIS   A CD2  1 ? 
ATOM   746  C  CE1  . HIS   A 1 46  ? -14.359 5.023   0.840   1.000 13.313 0 158 HIS   A CE1  1 ? 
ATOM   747  N  NE2  . HIS   A 1 46  ? -15.535 5.379   1.322   1.000 12.812 0 158 HIS   A NE2  1 ? 
ATOM   748  H  H    . HIS   A 1 46  ? -16.778 -0.634  1.614   1.000 10.874 0 158 HIS   A H    1 c 
ATOM   749  H  HA   . HIS   A 1 46  ? -14.360 0.734   1.993   1.000 11.145 0 158 HIS   A HA   1 c 
ATOM   750  H  HB2  . HIS   A 1 46  ? -15.594 1.419   0.109   1.000 11.537 0 158 HIS   A HB2  1 c 
ATOM   751  H  HB3  . HIS   A 1 46  ? -16.862 1.667   0.992   1.000 11.526 0 158 HIS   A HB3  1 c 
ATOM   752  H  HD1  . HIS   A 1 46  ? -13.655 3.206   0.357   0.000 12.717 0 158 HIS   A HD1  1 c 
ATOM   753  H  HD2  . HIS   A 1 46  ? -17.159 4.187   1.830   1.000 12.661 0 158 HIS   A HD2  1 c 
ATOM   754  H  HE1  . HIS   A 1 46  ? -13.642 5.606   0.662   1.000 13.026 0 158 HIS   A HE1  1 c 
ATOM   755  H  HE2  . HIS   A 1 46  ? -15.787 6.203   1.493   0.000 12.859 0 158 HIS   A HE2  1 c 
ATOM   756  N  N    . PHE   A 1 47  ? -14.787 1.451   4.302   1.000 11.110 0 159 PHE   A N    1 ? 
ATOM   757  C  CA   . PHE   A 1 47  ? -15.009 1.869   5.675   1.000 11.482 0 159 PHE   A CA   1 ? 
ATOM   758  C  C    . PHE   A 1 47  ? -14.463 3.290   5.787   1.000 10.932 0 159 PHE   A C    1 ? 
ATOM   759  O  O    . PHE   A 1 47  ? -13.259 3.480   5.664   1.000 11.217 0 159 PHE   A O    1 ? 
ATOM   760  C  CB   . PHE   A 1 47  ? -14.306 0.873   6.594   1.000 11.117 0 159 PHE   A CB   1 ? 
ATOM   761  C  CG   . PHE   A 1 47  ? -14.264 1.262   8.062   1.000 11.588 0 159 PHE   A CG   1 ? 
ATOM   762  C  CD1  . PHE   A 1 47  ? -15.350 1.003   8.866   1.000 11.918 0 159 PHE   A CD1  1 ? 
ATOM   763  C  CD2  . PHE   A 1 47  ? -13.170 1.916   8.597   1.000 10.971 0 159 PHE   A CD2  1 ? 
ATOM   764  C  CE1  . PHE   A 1 47  ? -15.322 1.320   10.218  1.000 12.047 0 159 PHE   A CE1  1 ? 
ATOM   765  C  CE2  . PHE   A 1 47  ? -13.180 2.280   9.942   1.000 12.177 0 159 PHE   A CE2  1 ? 
ATOM   766  C  CZ   . PHE   A 1 47  ? -14.241 1.987   10.735  1.000 12.116 0 159 PHE   A CZ   1 ? 
ATOM   767  H  H    . PHE   A 1 47  ? -13.924 1.383   4.009   1.000 11.027 0 159 PHE   A H    1 c 
ATOM   768  H  HA   . PHE   A 1 47  ? -15.983 1.868   5.869   1.000 11.222 0 159 PHE   A HA   1 c 
ATOM   769  H  HB2  . PHE   A 1 47  ? -14.760 0.005   6.513   1.000 11.261 0 159 PHE   A HB2  1 c 
ATOM   770  H  HB3  . PHE   A 1 47  ? -13.385 0.755   6.274   1.000 11.295 0 159 PHE   A HB3  1 c 
ATOM   771  H  HD1  . PHE   A 1 47  ? -16.092 0.541   8.510   1.000 11.876 0 159 PHE   A HD1  1 c 
ATOM   772  H  HD2  . PHE   A 1 47  ? -12.428 2.126   8.051   1.000 11.215 0 159 PHE   A HD2  1 c 
ATOM   773  H  HE1  . PHE   A 1 47  ? -16.071 1.136   10.762  1.000 11.945 0 159 PHE   A HE1  1 c 
ATOM   774  H  HE2  . PHE   A 1 47  ? -12.429 2.717   10.311  1.000 11.828 0 159 PHE   A HE2  1 c 
ATOM   775  H  HZ   . PHE   A 1 47  ? -14.227 2.225   11.648  1.000 12.095 0 159 PHE   A HZ   1 c 
ATOM   776  N  N    . ASN   A 1 48  ? -15.342 4.253   6.032   1.000 11.279 0 160 ASN   A N    1 ? 
ATOM   777  C  CA   . ASN   A 1 48  ? -15.000 5.669   5.840   1.000 11.997 0 160 ASN   A CA   1 ? 
ATOM   778  C  C    . ASN   A 1 48  ? -15.447 6.556   7.012   1.000 11.690 0 160 ASN   A C    1 ? 
ATOM   779  O  O    . ASN   A 1 48  ? -16.535 7.125   6.987   1.000 12.430 0 160 ASN   A O    1 ? 
ATOM   780  C  CB   . ASN   A 1 48  ? -15.590 6.112   4.511   1.000 12.810 0 160 ASN   A CB   1 ? 
ATOM   781  C  CG   . ASN   A 1 48  ? -15.426 7.577   4.214   1.000 13.703 0 160 ASN   A CG   1 ? 
ATOM   782  O  OD1  . ASN   A 1 48  ? -16.297 8.137   3.555   1.000 16.078 0 160 ASN   A OD1  1 ? 
ATOM   783  N  ND2  . ASN   A 1 48  ? -14.317 8.186   4.599   1.000 14.142 0 160 ASN   A ND2  1 ? 
ATOM   784  H  H    . ASN   A 1 48  ? -16.178 4.037   6.330   1.000 11.224 0 160 ASN   A H    1 c 
ATOM   785  H  HA   . ASN   A 1 48  ? -14.025 5.738   5.762   1.000 12.002 0 160 ASN   A HA   1 c 
ATOM   786  H  HB2  . ASN   A 1 48  ? -15.164 5.599   3.796   1.000 12.826 0 160 ASN   A HB2  1 c 
ATOM   787  H  HB3  . ASN   A 1 48  ? -16.543 5.897   4.502   1.000 12.789 0 160 ASN   A HB3  1 c 
ATOM   788  H  HD21 . ASN   A 1 48  ? -13.591 7.715   4.797   1.000 13.959 0 160 ASN   A HD21 1 c 
ATOM   789  H  HD22 . ASN   A 1 48  ? -14.300 9.073   4.656   1.000 13.799 0 160 ASN   A HD22 1 c 
ATOM   790  N  N    . PRO   A 1 49  ? -14.633 6.650   8.091   1.000 12.534 0 161 PRO   A N    1 ? 
ATOM   791  C  CA   . PRO   A 1 49  ? -14.812 7.689   9.111   1.000 12.393 0 161 PRO   A CA   1 ? 
ATOM   792  C  C    . PRO   A 1 49  ? -14.726 9.090   8.495   1.000 12.818 0 161 PRO   A C    1 ? 
ATOM   793  O  O    . PRO   A 1 49  ? -13.709 9.435   7.880   1.000 14.908 0 161 PRO   A O    1 ? 
ATOM   794  C  CB   . PRO   A 1 49  ? -13.686 7.425   10.118  1.000 13.217 0 161 PRO   A CB   1 ? 
ATOM   795  C  CG   . PRO   A 1 49  ? -13.317 5.956   9.876   1.000 12.519 0 161 PRO   A CG   1 ? 
ATOM   796  C  CD   . PRO   A 1 49  ? -13.534 5.729   8.419   1.000 12.516 0 161 PRO   A CD   1 ? 
ATOM   797  H  HA   . PRO   A 1 49  ? -15.689 7.563   9.552   1.000 12.549 0 161 PRO   A HA   1 c 
ATOM   798  H  HB2  . PRO   A 1 49  ? -12.914 8.015   9.950   1.000 12.958 0 161 PRO   A HB2  1 c 
ATOM   799  H  HB3  . PRO   A 1 49  ? -14.001 7.562   11.042  1.000 12.920 0 161 PRO   A HB3  1 c 
ATOM   800  H  HG2  . PRO   A 1 49  ? -12.382 5.789   10.115  1.000 12.560 0 161 PRO   A HG2  1 c 
ATOM   801  H  HG3  . PRO   A 1 49  ? -13.888 5.362   10.407  1.000 12.644 0 161 PRO   A HG3  1 c 
ATOM   802  H  HD2  . PRO   A 1 49  ? -12.726 5.944   7.907   1.000 12.518 0 161 PRO   A HD2  1 c 
ATOM   803  H  HD3  . PRO   A 1 49  ? -13.789 4.796   8.243   1.000 12.480 0 161 PRO   A HD3  1 c 
ATOM   804  N  N    . ARG   A 1 50  ? -15.776 9.861   8.731   1.000 13.221 0 162 ARG   A N    1 ? 
ATOM   805  C  CA   . ARG   A 1 50  ? -15.846 11.258  8.368   1.000 14.238 0 162 ARG   A CA   1 ? 
ATOM   806  C  C    . ARG   A 1 50  ? -15.928 12.084  9.652   1.000 14.960 0 162 ARG   A C    1 ? 
ATOM   807  O  O    . ARG   A 1 50  ? -16.865 11.958  10.441  1.000 15.403 0 162 ARG   A O    1 ? 
ATOM   808  C  CB   . ARG   A 1 50  ? -17.084 11.510  7.498   1.000 14.661 0 162 ARG   A CB   1 ? 
ATOM   809  C  CG   . ARG   A 1 50  ? -17.003 10.730  6.208   1.000 15.314 0 162 ARG   A CG   1 ? 
ATOM   810  C  CD   . ARG   A 1 50  ? -18.215 10.939  5.319   1.000 15.694 0 162 ARG   A CD   1 ? 
ATOM   811  N  NE   . ARG   A 1 50  ? -18.175 10.068  4.132   1.000 14.781 0 162 ARG   A NE   1 ? 
ATOM   812  C  CZ   . ARG   A 1 50  ? -19.061 10.069  3.153   1.000 15.568 0 162 ARG   A CZ   1 ? 
ATOM   813  N  NH1  . ARG   A 1 50  ? -20.125 10.843  3.195   1.000 14.815 0 162 ARG   A NH1  1 ? 
ATOM   814  N  NH2  . ARG   A 1 50  ? -18.915 9.257   2.126   1.000 15.022 0 162 ARG   A NH2  1 ? 
ATOM   815  H  H    . ARG   A 1 50  ? -16.501 9.491   9.147   1.000 13.271 0 162 ARG   A H    1 c 
ATOM   816  H  HA   . ARG   A 1 50  ? -15.027 11.504  7.868   1.000 14.272 0 162 ARG   A HA   1 c 
ATOM   817  H  HB2  . ARG   A 1 50  ? -17.889 11.242  7.990   1.000 14.606 0 162 ARG   A HB2  1 c 
ATOM   818  H  HB3  . ARG   A 1 50  ? -17.152 12.467  7.295   1.000 14.686 0 162 ARG   A HB3  1 c 
ATOM   819  H  HG2  . ARG   A 1 50  ? -16.197 11.002  5.718   1.000 15.261 0 162 ARG   A HG2  1 c 
ATOM   820  H  HG3  . ARG   A 1 50  ? -16.922 9.773   6.414   1.000 15.309 0 162 ARG   A HG3  1 c 
ATOM   821  H  HD2  . ARG   A 1 50  ? -19.028 10.751  5.830   1.000 15.519 0 162 ARG   A HD2  1 c 
ATOM   822  H  HD3  . ARG   A 1 50  ? -18.247 11.875  5.031   1.000 15.347 0 162 ARG   A HD3  1 c 
ATOM   823  H  HE   . ARG   A 1 50  ? -17.513 9.505   4.069   1.000 15.023 0 162 ARG   A HE   1 c 
ATOM   824  H  HH11 . ARG   A 1 50  ? -20.690 10.852  2.516   1.000 14.854 0 162 ARG   A HH11 1 c 
ATOM   825  H  HH12 . ARG   A 1 50  ? -20.278 11.355  3.899   1.000 14.961 0 162 ARG   A HH12 1 c 
ATOM   826  H  HH21 . ARG   A 1 50  ? -19.504 9.267   1.467   1.000 15.204 0 162 ARG   A HH21 1 c 
ATOM   827  H  HH22 . ARG   A 1 50  ? -18.228 8.702   2.097   1.000 15.165 0 162 ARG   A HH22 1 c 
ATOM   828  N  N    . PHE   A 1 51  ? -14.980 13.001  9.799   1.000 14.634 0 163 PHE   A N    1 ? 
ATOM   829  C  CA   . PHE   A 1 51  ? -14.878 13.813  11.014  1.000 16.290 0 163 PHE   A CA   1 ? 
ATOM   830  C  C    . PHE   A 1 51  ? -15.727 15.081  10.961  1.000 17.890 0 163 PHE   A C    1 ? 
ATOM   831  O  O    . PHE   A 1 51  ? -15.977 15.664  12.013  1.000 19.069 0 163 PHE   A O    1 ? 
ATOM   832  C  CB   . PHE   A 1 51  ? -13.416 14.155  11.293  1.000 17.751 0 163 PHE   A CB   1 ? 
ATOM   833  C  CG   . PHE   A 1 51  ? -12.581 12.970  11.755  1.000 17.914 0 163 PHE   A CG   1 ? 
ATOM   834  C  CD1  . PHE   A 1 51  ? -12.181 12.007  10.847  1.000 18.485 0 163 PHE   A CD1  1 ? 
ATOM   835  C  CD2  . PHE   A 1 51  ? -12.167 12.831  13.072  1.000 20.205 0 163 PHE   A CD2  1 ? 
ATOM   836  C  CE1  . PHE   A 1 51  ? -11.402 10.935  11.231  1.000 19.906 0 163 PHE   A CE1  1 ? 
ATOM   837  C  CE2  . PHE   A 1 51  ? -11.385 11.760  13.456  1.000 19.748 0 163 PHE   A CE2  1 ? 
ATOM   838  C  CZ   . PHE   A 1 51  ? -10.989 10.814  12.530  1.000 19.226 0 163 PHE   A CZ   1 ? 
ATOM   839  H  H    . PHE   A 1 51  ? -14.377 13.137  9.127   1.000 15.024 0 163 PHE   A H    1 c 
ATOM   840  H  HA   . PHE   A 1 51  ? -15.206 13.263  11.774  1.000 16.377 0 163 PHE   A HA   1 c 
ATOM   841  H  HB2  . PHE   A 1 51  ? -13.019 14.524  10.473  1.000 17.516 0 163 PHE   A HB2  1 c 
ATOM   842  H  HB3  . PHE   A 1 51  ? -13.384 14.854  11.984  1.000 17.529 0 163 PHE   A HB3  1 c 
ATOM   843  H  HD1  . PHE   A 1 51  ? -12.443 12.088  9.944   1.000 18.519 0 163 PHE   A HD1  1 c 
ATOM   844  H  HD2  . PHE   A 1 51  ? -12.418 13.481  13.710  1.000 19.722 0 163 PHE   A HD2  1 c 
ATOM   845  H  HE1  . PHE   A 1 51  ? -11.143 10.290  10.593  1.000 19.491 0 163 PHE   A HE1  1 c 
ATOM   846  H  HE2  . PHE   A 1 51  ? -11.113 11.678  14.356  1.000 19.908 0 163 PHE   A HE2  1 c 
ATOM   847  H  HZ   . PHE   A 1 51  ? -10.469 10.074  12.798  1.000 19.325 0 163 PHE   A HZ   1 c 
ATOM   848  N  N    . ASN   A 1 52  ? -16.137 15.500  9.757   1.000 19.373 0 164 ASN   A N    1 ? 
ATOM   849  C  CA   . ASN   A 1 52  ? -16.945 16.702  9.655   1.000 22.782 0 164 ASN   A CA   1 ? 
ATOM   850  C  C    . ASN   A 1 52  ? -17.846 16.641  8.430   1.000 21.237 0 164 ASN   A C    1 ? 
ATOM   851  O  O    . ASN   A 1 52  ? -17.671 17.371  7.457   1.000 26.950 0 164 ASN   A O    1 ? 
ATOM   852  C  CB   . ASN   A 1 52  ? -16.109 17.973  9.612   1.000 27.462 0 164 ASN   A CB   1 ? 
ATOM   853  C  CG   . ASN   A 1 52  ? -16.997 19.198  9.646   1.000 33.272 0 164 ASN   A CG   1 ? 
ATOM   854  O  OD1  . ASN   A 1 52  ? -18.221 19.098  9.481   1.000 35.886 0 164 ASN   A OD1  1 ? 
ATOM   855  N  ND2  . ASN   A 1 52  ? -16.404 20.365  9.800   1.000 39.687 0 164 ASN   A ND2  1 ? 
ATOM   856  H  H    . ASN   A 1 52  ? -15.909 15.044  8.999   1.000 19.311 0 164 ASN   A H    1 c 
ATOM   857  H  HA   . ASN   A 1 52  ? -17.519 16.756  10.452  1.000 22.385 0 164 ASN   A HA   1 c 
ATOM   858  H  HB2  . ASN   A 1 52  ? -15.503 17.989  10.380  1.000 27.171 0 164 ASN   A HB2  1 c 
ATOM   859  H  HB3  . ASN   A 1 52  ? -15.570 17.983  8.796   1.000 27.221 0 164 ASN   A HB3  1 c 
ATOM   860  H  HD21 . ASN   A 1 52  ? -15.522 20.408  9.876   1.000 37.829 0 164 ASN   A HD21 1 c 
ATOM   861  H  HD22 . ASN   A 1 52  ? -16.889 21.107  9.826   1.000 38.372 0 164 ASN   A HD22 1 c 
ATOM   862  N  N    . GLU   A 1 53  ? -18.849 15.787  8.521   1.000 19.702 0 165 GLU   A N    1 ? 
ATOM   863  C  CA   . GLU   A 1 53  ? -19.910 15.771  7.545   1.000 20.006 0 165 GLU   A CA   1 ? 
ATOM   864  C  C    . GLU   A 1 53  ? -21.079 16.525  8.159   1.000 21.218 0 165 GLU   A C    1 ? 
ATOM   865  O  O    . GLU   A 1 53  ? -21.685 16.076  9.137   1.000 21.488 0 165 GLU   A O    1 ? 
ATOM   866  C  CB   . GLU   A 1 53  ? -20.290 14.334  7.205   1.000 20.346 0 165 GLU   A CB   1 ? 
ATOM   867  C  CG   . GLU   A 1 53  ? -21.356 14.263  6.126   1.000 20.515 0 165 GLU   A CG   1 ? 
ATOM   868  C  CD   . GLU   A 1 53  ? -22.031 12.919  5.944   1.000 21.124 0 165 GLU   A CD   1 ? 
ATOM   869  O  OE1  . GLU   A 1 53  ? -22.883 12.548  6.792   1.000 24.764 0 165 GLU   A OE1  1 ? 
ATOM   870  O  OE2  . GLU   A 1 53  ? -21.767 12.291  4.907   1.000 23.177 0 165 GLU   A OE2  1 ? 
ATOM   871  H  H    . GLU   A 1 53  ? -18.875 15.192  9.215   1.000 20.165 0 165 GLU   A H    1 c 
ATOM   872  H  HA   . GLU   A 1 53  ? -19.606 16.238  6.726   1.000 20.064 0 165 GLU   A HA   1 c 
ATOM   873  H  HB2  . GLU   A 1 53  ? -19.489 13.856  6.903   1.000 20.211 0 165 GLU   A HB2  1 c 
ATOM   874  H  HB3  . GLU   A 1 53  ? -20.617 13.890  8.016   1.000 20.428 0 165 GLU   A HB3  1 c 
ATOM   875  H  HG2  . GLU   A 1 53  ? -22.051 14.925  6.325   1.000 20.735 0 165 GLU   A HG2  1 c 
ATOM   876  H  HG3  . GLU   A 1 53  ? -20.952 14.520  5.270   1.000 20.423 0 165 GLU   A HG3  1 c 
ATOM   877  N  N    . ASN   A 1 54  ? -21.350 17.713  7.633   1.000 21.471 0 166 ASN   A N    1 ? 
ATOM   878  C  CA   . ASN   A 1 54  ? -22.394 18.551  8.203   1.000 22.087 0 166 ASN   A CA   1 ? 
ATOM   879  C  C    . ASN   A 1 54  ? -22.165 18.780  9.698   1.000 21.148 0 166 ASN   A C    1 ? 
ATOM   880  O  O    . ASN   A 1 54  ? -23.092 18.716  10.503  1.000 22.246 0 166 ASN   A O    1 ? 
ATOM   881  C  CB   . ASN   A 1 54  ? -23.779 17.980  7.918   1.000 25.331 0 166 ASN   A CB   1 ? 
ATOM   882  C  CG   . ASN   A 1 54  ? -24.896 18.902  8.342   1.000 31.089 0 166 ASN   A CG   1 ? 
ATOM   883  O  OD1  . ASN   A 1 54  ? -25.975 18.420  8.708   1.000 39.744 0 166 ASN   A OD1  1 ? 
ATOM   884  N  ND2  . ASN   A 1 54  ? -24.689 20.206  8.250   1.000 34.154 0 166 ASN   A ND2  1 ? 
ATOM   885  H  H    . ASN   A 1 54  ? -20.881 18.015  6.909   1.000 21.605 0 166 ASN   A H    1 c 
ATOM   886  H  HA   . ASN   A 1 54  ? -22.344 19.424  7.755   1.000 22.369 0 166 ASN   A HA   1 c 
ATOM   887  H  HB2  . ASN   A 1 54  ? -23.859 17.804  6.959   1.000 25.560 0 166 ASN   A HB2  1 c 
ATOM   888  H  HB3  . ASN   A 1 54  ? -23.877 17.128  8.388   1.000 25.292 0 166 ASN   A HB3  1 c 
ATOM   889  H  HD21 . ASN   A 1 54  ? -24.084 20.531  7.689   1.000 33.047 0 166 ASN   A HD21 1 c 
ATOM   890  H  HD22 . ASN   A 1 54  ? -25.172 20.760  8.750   1.000 33.561 0 166 ASN   A HD22 1 c 
ATOM   891  N  N    . ASN   A 1 55  ? -20.906 19.071  10.034  1.000 20.882 0 167 ASN   A N    1 ? 
ATOM   892  C  CA   . ASN   A 1 55  ? -20.484 19.325  11.410  1.000 20.169 0 167 ASN   A CA   1 ? 
ATOM   893  C  C    . ASN   A 1 55  ? -20.788 18.182  12.396  1.000 21.425 0 167 ASN   A C    1 ? 
ATOM   894  O  O    . ASN   A 1 55  ? -20.969 18.438  13.592  1.000 25.030 0 167 ASN   A O    1 ? 
ATOM   895  C  CB   . ASN   A 1 55  ? -21.073 20.628  11.914  1.000 21.077 0 167 ASN   A CB   1 ? 
ATOM   896  C  CG   . ASN   A 1 55  ? -20.541 21.755  11.085  1.000 22.567 0 167 ASN   A CG   1 ? 
ATOM   897  O  OD1  . ASN   A 1 55  ? -21.296 22.424  10.355  1.000 23.977 0 167 ASN   A OD1  1 ? 
ATOM   898  N  ND2  . ASN   A 1 55  ? -19.243 21.980  11.237  1.000 26.368 0 167 ASN   A ND2  1 ? 
ATOM   899  H  H    . ASN   A 1 55  ? -20.277 19.122  9.374   1.000 20.665 0 167 ASN   A H    1 c 
ATOM   900  H  HA   . ASN   A 1 55  ? -19.509 19.440  11.401  1.000 20.718 0 167 ASN   A HA   1 c 
ATOM   901  H  HB2  . ASN   A 1 55  ? -22.048 20.601  11.850  1.000 21.125 0 167 ASN   A HB2  1 c 
ATOM   902  H  HB3  . ASN   A 1 55  ? -20.825 20.765  12.850  1.000 21.011 0 167 ASN   A HB3  1 c 
ATOM   903  H  HD21 . ASN   A 1 55  ? -18.788 21.571  11.879  1.000 25.167 0 167 ASN   A HD21 1 c 
ATOM   904  H  HD22 . ASN   A 1 55  ? -18.832 22.547  10.692  1.000 25.209 0 167 ASN   A HD22 1 c 
ATOM   905  N  N    A ARG   A 1 56  ? -20.819 16.952  11.881  0.500 22.747 0 168 ARG   A N    1 ? 
ATOM   906  N  N    B ARG   A 1 56  ? -20.898 16.938  11.904  0.500 21.891 0 168 ARG   A N    1 ? 
ATOM   907  C  CA   A ARG   A 1 56  ? -21.025 15.752  12.673  0.500 23.409 0 168 ARG   A CA   1 ? 
ATOM   908  C  CA   B ARG   A 1 56  ? -21.131 15.746  12.718  0.500 22.078 0 168 ARG   A CA   1 ? 
ATOM   909  C  C    A ARG   A 1 56  ? -19.888 14.784  12.363  0.500 19.401 0 168 ARG   A C    1 ? 
ATOM   910  C  C    B ARG   A 1 56  ? -20.123 14.667  12.304  0.500 17.797 0 168 ARG   A C    1 ? 
ATOM   911  O  O    A ARG   A 1 56  ? -19.165 14.950  11.382  0.500 18.751 0 168 ARG   A O    1 ? 
ATOM   912  O  O    B ARG   A 1 56  ? -19.765 14.600  11.134  0.500 17.026 0 168 ARG   A O    1 ? 
ATOM   913  C  CB   A ARG   A 1 56  ? -22.376 15.105  12.317  0.500 25.956 0 168 ARG   A CB   1 ? 
ATOM   914  C  CB   B ARG   A 1 56  ? -22.524 15.123  12.490  0.500 23.399 0 168 ARG   A CB   1 ? 
ATOM   915  C  CG   A ARG   A 1 56  ? -23.562 16.030  12.536  0.500 28.736 0 168 ARG   A CG   1 ? 
ATOM   916  C  CG   B ARG   A 1 56  ? -23.751 15.757  13.139  0.500 25.707 0 168 ARG   A CG   1 ? 
ATOM   917  C  CD   A ARG   A 1 56  ? -24.915 15.393  12.341  0.500 27.858 0 168 ARG   A CD   1 ? 
ATOM   918  C  CD   B ARG   A 1 56  ? -24.574 16.513  12.091  0.500 24.918 0 168 ARG   A CD   1 ? 
ATOM   919  N  NE   A ARG   A 1 56  ? -25.909 16.473  12.256  0.500 30.251 0 168 ARG   A NE   1 ? 
ATOM   920  N  NE   B ARG   A 1 56  ? -25.945 16.840  12.513  0.500 27.190 0 168 ARG   A NE   1 ? 
ATOM   921  C  CZ   A ARG   A 1 56  ? -27.195 16.357  12.516  0.500 29.636 0 168 ARG   A CZ   1 ? 
ATOM   922  C  CZ   B ARG   A 1 56  ? -26.436 18.064  12.544  0.500 29.639 0 168 ARG   A CZ   1 ? 
ATOM   923  N  NH1  A ARG   A 1 56  ? -27.996 17.393  12.350  0.500 32.518 0 168 ARG   A NH1  1 ? 
ATOM   924  N  NH1  B ARG   A 1 56  ? -27.635 18.272  13.053  0.500 32.339 0 168 ARG   A NH1  1 ? 
ATOM   925  N  NH2  A ARG   A 1 56  ? -27.677 15.212  12.948  0.500 33.141 0 168 ARG   A NH2  1 ? 
ATOM   926  N  NH2  B ARG   A 1 56  ? -25.710 19.080  12.128  0.500 30.797 0 168 ARG   A NH2  1 ? 
ATOM   927  H  H    A ARG   A 1 56  ? -20.689 16.853  10.983  0.500 22.492 0 168 ARG   A H    1 c 
ATOM   928  H  H    B ARG   A 1 56  ? -20.809 16.825  11.002  0.500 21.662 0 168 ARG   A H    1 c 
ATOM   929  H  HA   A ARG   A 1 56  ? -21.001 15.989  13.635  0.500 23.125 0 168 ARG   A HA   1 c 
ATOM   930  H  HA   B ARG   A 1 56  ? -21.001 15.971  13.674  0.500 21.717 0 168 ARG   A HA   1 c 
ATOM   931  H  HB2  A ARG   A 1 56  ? -22.359 14.827  11.377  0.500 25.908 0 168 ARG   A HB2  1 c 
ATOM   932  H  HB2  B ARG   A 1 56  ? -22.679 15.102  11.522  0.500 23.628 0 168 ARG   A HB2  1 c 
ATOM   933  H  HB3  A ARG   A 1 56  ? -22.496 14.301  12.866  0.500 25.805 0 168 ARG   A HB3  1 c 
ATOM   934  H  HB3  B ARG   A 1 56  ? -22.480 14.190  12.790  0.500 23.439 0 168 ARG   A HB3  1 c 
ATOM   935  H  HG2  A ARG   A 1 56  ? -23.516 16.386  13.452  0.500 28.388 0 168 ARG   A HG2  1 c 
ATOM   936  H  HG2  B ARG   A 1 56  ? -24.307 15.058  13.547  0.500 25.029 0 168 ARG   A HG2  1 c 
ATOM   937  H  HG3  A ARG   A 1 56  ? -23.485 16.794  11.927  0.500 28.060 0 168 ARG   A HG3  1 c 
ATOM   938  H  HG3  B ARG   A 1 56  ? -23.466 16.382  13.841  0.500 25.233 0 168 ARG   A HG3  1 c 
ATOM   939  H  HD2  A ARG   A 1 56  ? -24.927 14.866  11.517  0.500 28.190 0 168 ARG   A HD2  1 c 
ATOM   940  H  HD2  B ARG   A 1 56  ? -24.107 17.342  11.877  0.500 25.422 0 168 ARG   A HD2  1 c 
ATOM   941  H  HD3  A ARG   A 1 56  ? -25.128 14.806  13.095  0.500 28.309 0 168 ARG   A HD3  1 c 
ATOM   942  H  HD3  B ARG   A 1 56  ? -24.613 15.975  11.274  0.500 25.297 0 168 ARG   A HD3  1 c 
ATOM   943  H  HE   A ARG   A 1 56  ? -25.627 17.261  12.013  0.500 29.677 0 168 ARG   A HE   1 c 
ATOM   944  H  HE   B ARG   A 1 56  ? -26.467 16.187  12.757  0.500 27.211 0 168 ARG   A HE   1 c 
ATOM   945  H  HH11 A ARG   A 1 56  ? -28.863 17.306  12.501  0.500 31.859 0 168 ARG   A HH11 1 c 
ATOM   946  H  HH11 B ARG   A 1 56  ? -27.962 19.092  13.085  0.500 31.382 0 168 ARG   A HH11 1 c 
ATOM   947  H  HH12 A ARG   A 1 56  ? -27.663 18.169  12.088  0.500 31.752 0 168 ARG   A HH12 1 c 
ATOM   948  H  HH12 B ARG   A 1 56  ? -28.105 17.589  13.360  0.500 31.664 0 168 ARG   A HH12 1 c 
ATOM   949  H  HH21 A ARG   A 1 56  ? -28.541 15.135  13.116  0.500 31.969 0 168 ARG   A HH21 1 c 
ATOM   950  H  HH21 B ARG   A 1 56  ? -26.044 19.898  12.154  0.500 30.496 0 168 ARG   A HH21 1 c 
ATOM   951  H  HH22 A ARG   A 1 56  ? -27.134 14.524  13.067  0.500 32.032 0 168 ARG   A HH22 1 c 
ATOM   952  H  HH22 B ARG   A 1 56  ? -24.891 18.940  11.825  0.500 30.426 0 168 ARG   A HH22 1 c 
ATOM   953  N  N    . ARG   A 1 57  ? -19.707 13.796  13.231  1.000 17.607 0 169 ARG   A N    1 ? 
ATOM   954  C  CA   . ARG   A 1 57  ? -18.801 12.696  12.936  1.000 16.548 0 169 ARG   A CA   1 ? 
ATOM   955  C  C    . ARG   A 1 57  ? -19.674 11.479  12.656  1.000 15.810 0 169 ARG   A C    1 ? 
ATOM   956  O  O    . ARG   A 1 57  ? -20.631 11.236  13.362  1.000 19.826 0 169 ARG   A O    1 ? 
ATOM   957  C  CB   . ARG   A 1 57  ? -17.824 12.464  14.091  1.000 18.380 0 169 ARG   A CB   1 ? 
ATOM   958  C  CG   . ARG   A 1 57  ? -17.141 13.767  14.470  1.000 19.610 0 169 ARG   A CG   1 ? 
ATOM   959  C  CD   . ARG   A 1 57  ? -15.999 13.663  15.462  1.000 21.211 0 169 ARG   A CD   1 ? 
ATOM   960  N  NE   . ARG   A 1 57  ? -16.327 12.930  16.690  1.000 22.237 0 169 ARG   A NE   1 ? 
ATOM   961  C  CZ   . ARG   A 1 57  ? -15.424 12.490  17.544  1.000 23.275 0 169 ARG   A CZ   1 ? 
ATOM   962  N  NH1  . ARG   A 1 57  ? -15.796 11.791  18.593  1.000 25.687 0 169 ARG   A NH1  1 ? 
ATOM   963  N  NH2  . ARG   A 1 57  ? -14.145 12.757  17.358  1.000 26.750 0 169 ARG   A NH2  1 ? 
ATOM   964  H  H    . ARG   A 1 57  ? -20.071 13.851  14.067  1.000 17.710 0 169 ARG   A H    1 c 
ATOM   965  H  HA   . ARG   A 1 57  ? -18.283 12.916  12.124  1.000 16.840 0 169 ARG   A HA   1 c 
ATOM   966  H  HB2  . ARG   A 1 57  ? -18.308 12.109  14.867  1.000 18.230 0 169 ARG   A HB2  1 c 
ATOM   967  H  HB3  . ARG   A 1 57  ? -17.148 11.807  13.822  1.000 18.187 0 169 ARG   A HB3  1 c 
ATOM   968  H  HG2  . ARG   A 1 57  ? -16.801 14.186  13.652  1.000 19.594 0 169 ARG   A HG2  1 c 
ATOM   969  H  HG3  . ARG   A 1 57  ? -17.815 14.376  14.842  1.000 19.652 0 169 ARG   A HG3  1 c 
ATOM   970  H  HD2  . ARG   A 1 57  ? -15.248 13.219  15.017  1.000 21.091 0 169 ARG   A HD2  1 c 
ATOM   971  H  HD3  . ARG   A 1 57  ? -15.708 14.567  15.700  1.000 21.096 0 169 ARG   A HD3  1 c 
ATOM   972  H  HE   . ARG   A 1 57  ? -17.167 12.779  16.865  1.000 22.267 0 169 ARG   A HE   1 c 
ATOM   973  H  HH11 . ARG   A 1 57  ? -15.191 11.509  19.173  1.000 25.072 0 169 ARG   A HH11 1 c 
ATOM   974  H  HH12 . ARG   A 1 57  ? -16.651 11.602  18.719  1.000 25.087 0 169 ARG   A HH12 1 c 
ATOM   975  H  HH21 . ARG   A 1 57  ? -13.534 12.288  17.790  1.000 25.601 0 169 ARG   A HH21 1 c 
ATOM   976  H  HH22 . ARG   A 1 57  ? -13.895 13.401  16.806  1.000 25.588 0 169 ARG   A HH22 1 c 
ATOM   977  N  N    . VAL   A 1 58  ? -19.345 10.732  11.599  1.000 15.422 0 170 VAL   A N    1 ? 
ATOM   978  C  CA   . VAL   A 1 58  ? -20.115 9.593   11.172  1.000 16.029 0 170 VAL   A CA   1 ? 
ATOM   979  C  C    . VAL   A 1 58  ? -19.172 8.581   10.525  1.000 14.600 0 170 VAL   A C    1 ? 
ATOM   980  O  O    . VAL   A 1 58  ? -18.190 8.979   9.904   1.000 16.582 0 170 VAL   A O    1 ? 
ATOM   981  C  CB   . VAL   A 1 58  ? -21.222 10.032  10.200  1.000 17.430 0 170 VAL   A CB   1 ? 
ATOM   982  C  CG1  . VAL   A 1 58  ? -20.675 10.635  8.895   1.000 16.601 0 170 VAL   A CG1  1 ? 
ATOM   983  C  CG2  . VAL   A 1 58  ? -22.189 8.899   9.874   1.000 20.132 0 170 VAL   A CG2  1 ? 
ATOM   984  H  H    . VAL   A 1 58  ? -18.596 10.952  11.123  1.000 15.648 0 170 VAL   A H    1 c 
ATOM   985  H  HA   . VAL   A 1 58  ? -20.528 9.182   11.956  1.000 15.860 0 170 VAL   A HA   1 c 
ATOM   986  H  HB   . VAL   A 1 58  ? -21.739 10.737  10.654  1.000 17.285 0 170 VAL   A HB   1 c 
ATOM   987  H  HG11 . VAL   A 1 58  ? -20.152 9.969   8.420   1.000 16.860 0 170 VAL   A HG11 1 c 
ATOM   988  H  HG12 . VAL   A 1 58  ? -20.113 11.401  9.101   1.000 16.796 0 170 VAL   A HG12 1 c 
ATOM   989  H  HG13 . VAL   A 1 58  ? -21.416 10.921  8.335   1.000 16.666 0 170 VAL   A HG13 1 c 
ATOM   990  H  HG21 . VAL   A 1 58  ? -22.887 9.228   9.283   1.000 19.558 0 170 VAL   A HG21 1 c 
ATOM   991  H  HG22 . VAL   A 1 58  ? -22.591 8.568   10.695  1.000 19.576 0 170 VAL   A HG22 1 c 
ATOM   992  H  HG23 . VAL   A 1 58  ? -21.710 8.176   9.435   1.000 19.530 0 170 VAL   A HG23 1 c 
ATOM   993  N  N    . ILE   A 1 59  ? -19.505 7.287   10.641  1.000 14.144 0 171 ILE   A N    1 ? 
ATOM   994  C  CA   . ILE   A 1 59  ? -18.856 6.241   9.862   1.000 14.330 0 171 ILE   A CA   1 ? 
ATOM   995  C  C    . ILE   A 1 59  ? -19.776 5.878   8.693   1.000 13.285 0 171 ILE   A C    1 ? 
ATOM   996  O  O    . ILE   A 1 59  ? -20.927 5.472   8.914   1.000 15.058 0 171 ILE   A O    1 ? 
ATOM   997  C  CB   . ILE   A 1 59  ? -18.603 4.986   10.715  1.000 16.672 0 171 ILE   A CB   1 ? 
ATOM   998  C  CG1  . ILE   A 1 59  ? -18.034 5.255   12.120  1.000 18.924 0 171 ILE   A CG1  1 ? 
ATOM   999  C  CG2  . ILE   A 1 59  ? -17.791 3.978   9.911   1.000 15.826 0 171 ILE   A CG2  1 ? 
ATOM   1000 C  CD1  . ILE   A 1 59  ? -16.553 5.528   12.151  1.000 19.055 0 171 ILE   A CD1  1 ? 
ATOM   1001 H  H    . ILE   A 1 59  ? -20.164 7.049   11.227  1.000 14.180 0 171 ILE   A H    1 c 
ATOM   1002 H  HA   . ILE   A 1 59  ? -18.005 6.573   9.517   1.000 14.407 0 171 ILE   A HA   1 c 
ATOM   1003 H  HB   . ILE   A 1 59  ? -19.478 4.577   10.861  1.000 16.390 0 171 ILE   A HB   1 c 
ATOM   1004 H  HG12 . ILE   A 1 59  ? -18.502 6.022   12.509  1.000 18.498 0 171 ILE   A HG12 1 c 
ATOM   1005 H  HG13 . ILE   A 1 59  ? -18.220 4.477   12.684  1.000 18.424 0 171 ILE   A HG13 1 c 
ATOM   1006 H  HG21 . ILE   A 1 59  ? -17.585 3.208   10.467  1.000 15.873 0 171 ILE   A HG21 1 c 
ATOM   1007 H  HG22 . ILE   A 1 59  ? -16.962 4.390   9.612   1.000 16.005 0 171 ILE   A HG22 1 c 
ATOM   1008 H  HG23 . ILE   A 1 59  ? -18.302 3.687   9.137   1.000 15.971 0 171 ILE   A HG23 1 c 
ATOM   1009 H  HD11 . ILE   A 1 59  ? -16.064 4.750   11.823  1.000 18.926 0 171 ILE   A HD11 1 c 
ATOM   1010 H  HD12 . ILE   A 1 59  ? -16.278 5.717   13.069  1.000 18.951 0 171 ILE   A HD12 1 c 
ATOM   1011 H  HD13 . ILE   A 1 59  ? -16.351 6.299   11.588  1.000 19.121 0 171 ILE   A HD13 1 c 
ATOM   1012 N  N    . VAL   A 1 60  ? -19.263 5.986   7.457   1.000 12.879 0 172 VAL   A N    1 ? 
ATOM   1013 C  CA   . VAL   A 1 60  ? -19.982 5.554   6.271   1.000 12.679 0 172 VAL   A CA   1 ? 
ATOM   1014 C  C    . VAL   A 1 60  ? -19.334 4.277   5.744   1.000 12.473 0 172 VAL   A C    1 ? 
ATOM   1015 O  O    . VAL   A 1 60  ? -18.141 4.268   5.526   1.000 13.059 0 172 VAL   A O    1 ? 
ATOM   1016 C  CB   . VAL   A 1 60  ? -19.925 6.679   5.214   1.000 14.492 0 172 VAL   A CB   1 ? 
ATOM   1017 C  CG1  . VAL   A 1 60  ? -20.660 6.284   3.957   1.000 15.640 0 172 VAL   A CG1  1 ? 
ATOM   1018 C  CG2  . VAL   A 1 60  ? -20.534 7.946   5.771   1.000 16.471 0 172 VAL   A CG2  1 ? 
ATOM   1019 H  H    . VAL   A 1 60  ? -18.430 6.347   7.353   1.000 12.881 0 172 VAL   A H    1 c 
ATOM   1020 H  HA   . VAL   A 1 60  ? -20.913 5.376   6.504   1.000 12.857 0 172 VAL   A HA   1 c 
ATOM   1021 H  HB   . VAL   A 1 60  ? -18.977 6.843   4.999   1.000 14.508 0 172 VAL   A HB   1 c 
ATOM   1022 H  HG11 . VAL   A 1 60  ? -21.582 6.066   4.174   1.000 15.419 0 172 VAL   A HG11 1 c 
ATOM   1023 H  HG12 . VAL   A 1 60  ? -20.231 5.509   3.556   1.000 15.433 0 172 VAL   A HG12 1 c 
ATOM   1024 H  HG13 . VAL   A 1 60  ? -20.643 7.023   3.326   1.000 15.352 0 172 VAL   A HG13 1 c 
ATOM   1025 H  HG21 . VAL   A 1 60  ? -20.529 8.637   5.088   1.000 16.040 0 172 VAL   A HG21 1 c 
ATOM   1026 H  HG22 . VAL   A 1 60  ? -20.018 8.248   6.538   1.000 16.020 0 172 VAL   A HG22 1 c 
ATOM   1027 H  HG23 . VAL   A 1 60  ? -21.450 7.773   6.047   1.000 16.017 0 172 VAL   A HG23 1 c 
ATOM   1028 N  N    . CYS   A 1 61  ? -20.148 3.255   5.520   1.000 11.740 0 173 CYS   A N    1 ? 
ATOM   1029 C  CA   . CYS   A 1 61  ? -19.692 2.040   4.844   1.000 12.096 0 173 CYS   A CA   1 ? 
ATOM   1030 C  C    . CYS   A 1 61  ? -20.468 1.847   3.547   1.000 11.710 0 173 CYS   A C    1 ? 
ATOM   1031 O  O    . CYS   A 1 61  ? -21.674 2.112   3.484   1.000 13.325 0 173 CYS   A O    1 ? 
ATOM   1032 C  CB   . CYS   A 1 61  ? -19.826 0.831   5.759   1.000 11.885 0 173 CYS   A CB   1 ? 
ATOM   1033 S  SG   . CYS   A 1 61  ? -18.844 0.910   7.267   1.000 14.354 0 173 CYS   A SG   1 ? 
ATOM   1034 H  H    . CYS   A 1 61  ? -21.018 3.305   5.795   1.000 11.865 0 173 CYS   A H    1 c 
ATOM   1035 H  HA   . CYS   A 1 61  ? -18.738 2.156   4.621   1.000 11.953 0 173 CYS   A HA   1 c 
ATOM   1036 H  HB2  . CYS   A 1 61  ? -20.770 0.728   6.012   1.000 12.225 0 173 CYS   A HB2  1 c 
ATOM   1037 H  HB3  . CYS   A 1 61  ? -19.560 0.026   5.261   1.000 12.179 0 173 CYS   A HB3  1 c 
ATOM   1038 H  HG   . CYS   A 1 61  ? -19.179 -0.161  7.730   0.000 14.360 0 173 CYS   A HG   1 c 
ATOM   1039 N  N    . ASN   A 1 62  ? -19.787 1.301   2.529   1.000 11.914 0 174 ASN   A N    1 ? 
ATOM   1040 C  CA   . ASN   A 1 62  ? -20.450 1.042   1.243   1.000 11.488 0 174 ASN   A CA   1 ? 
ATOM   1041 C  C    . ASN   A 1 62  ? -19.625 0.037   0.446   1.000 11.259 0 174 ASN   A C    1 ? 
ATOM   1042 O  O    . ASN   A 1 62  ? -18.533 -0.340  0.827   1.000 11.992 0 174 ASN   A O    1 ? 
ATOM   1043 C  CB   . ASN   A 1 62  ? -20.669 2.355   0.503   1.000 11.602 0 174 ASN   A CB   1 ? 
ATOM   1044 C  CG   . ASN   A 1 62  ? -21.840 2.376   -0.473  1.000 12.390 0 174 ASN   A CG   1 ? 
ATOM   1045 O  OD1  . ASN   A 1 62  ? -22.469 1.364   -0.773  1.000 13.172 0 174 ASN   A OD1  1 ? 
ATOM   1046 N  ND2  . ASN   A 1 62  ? -22.219 3.561   -0.912  1.000 13.080 0 174 ASN   A ND2  1 ? 
ATOM   1047 H  H    . ASN   A 1 62  ? -18.904 1.087   2.629   1.000 11.766 0 174 ASN   A H    1 c 
ATOM   1048 H  HA   . ASN   A 1 62  ? -21.333 0.649   1.424   1.000 11.545 0 174 ASN   A HA   1 c 
ATOM   1049 H  HB2  . ASN   A 1 62  ? -20.806 3.065   1.160   1.000 11.584 0 174 ASN   A HB2  1 c 
ATOM   1050 H  HB3  . ASN   A 1 62  ? -19.853 2.570   0.007   1.000 11.772 0 174 ASN   A HB3  1 c 
ATOM   1051 H  HD21 . ASN   A 1 62  ? -21.827 4.294   -0.602  1.000 12.880 0 174 ASN   A HD21 1 c 
ATOM   1052 H  HD22 . ASN   A 1 62  ? -22.862 3.627   -1.517  1.000 12.865 0 174 ASN   A HD22 1 c 
ATOM   1053 N  N    . THR   A 1 63  ? -20.199 -0.255  -0.737  1.000 11.831 0 175 THR   A N    1 ? 
ATOM   1054 C  CA   . THR   A 1 63  ? -19.603 -1.098  -1.785  1.000 11.407 0 175 THR   A CA   1 ? 
ATOM   1055 C  C    . THR   A 1 63  ? -19.700 -0.372  -3.130  1.000 11.344 0 175 THR   A C    1 ? 
ATOM   1056 O  O    . THR   A 1 63  ? -20.681 0.319   -3.338  1.000 12.770 0 175 THR   A O    1 ? 
ATOM   1057 C  CB   . THR   A 1 63  ? -20.361 -2.449  -1.807  1.000 12.184 0 175 THR   A CB   1 ? 
ATOM   1058 O  OG1  . THR   A 1 63  ? -20.173 -3.173  -0.583  1.000 12.312 0 175 THR   A OG1  1 ? 
ATOM   1059 C  CG2  . THR   A 1 63  ? -20.019 -3.327  -3.001  1.000 13.567 0 175 THR   A CG2  1 ? 
ATOM   1060 H  H    . THR   A 1 63  ? -21.034 0.079   -0.895  1.000 11.577 0 175 THR   A H    1 c 
ATOM   1061 H  HA   . THR   A 1 63  ? -18.661 -1.258  -1.566  1.000 11.589 0 175 THR   A HA   1 c 
ATOM   1062 H  HB   . THR   A 1 63  ? -21.323 -2.240  -1.885  1.000 12.269 0 175 THR   A HB   1 c 
ATOM   1063 H  HG1  . THR   A 1 63  ? -19.331 -3.340  -0.476  0.000 12.349 0 175 THR   A HG1  1 c 
ATOM   1064 H  HG21 . THR   A 1 63  ? -20.534 -4.150  -2.955  1.000 13.274 0 175 THR   A HG21 1 c 
ATOM   1065 H  HG22 . THR   A 1 63  ? -19.072 -3.540  -2.988  1.000 13.239 0 175 THR   A HG22 1 c 
ATOM   1066 H  HG23 . THR   A 1 63  ? -20.235 -2.859  -3.823  1.000 13.302 0 175 THR   A HG23 1 c 
ATOM   1067 N  N    . LYS   A 1 64  ? -18.623 -0.454  -3.919  1.000 11.321 0 176 LYS   A N    1 ? 
ATOM   1068 C  CA   . LYS   A 1 64  ? -18.588 0.112   -5.260  1.000 11.829 0 176 LYS   A CA   1 ? 
ATOM   1069 C  C    . LYS   A 1 64  ? -18.530 -1.043  -6.259  1.000 12.512 0 176 LYS   A C    1 ? 
ATOM   1070 O  O    . LYS   A 1 64  ? -17.614 -1.868  -6.227  1.000 13.428 0 176 LYS   A O    1 ? 
ATOM   1071 C  CB   . LYS   A 1 64  ? -17.388 1.065   -5.344  1.000 14.087 0 176 LYS   A CB   1 ? 
ATOM   1072 C  CG   . LYS   A 1 64  ? -17.375 1.987   -6.539  1.000 15.805 0 176 LYS   A CG   1 ? 
ATOM   1073 C  CD   . LYS   A 1 64  ? -16.049 2.741   -6.656  1.000 19.859 0 176 LYS   A CD   1 ? 
ATOM   1074 C  CE   . LYS   A 1 64  ? -16.168 3.995   -7.401  1.000 24.134 0 176 LYS   A CE   1 ? 
ATOM   1075 N  NZ   . LYS   A 1 64  ? -14.818 4.510   -7.644  1.000 29.703 0 176 LYS   A NZ   1 ? 
ATOM   1076 H  H    . LYS   A 1 64  ? -17.878 -0.883  -3.608  1.000 11.318 0 176 LYS   A H    1 c 
ATOM   1077 H  HA   . LYS   A 1 64  ? -19.418 0.628   -5.408  1.000 12.144 0 176 LYS   A HA   1 c 
ATOM   1078 H  HB2  . LYS   A 1 64  ? -17.367 1.614   -4.533  1.000 13.723 0 176 LYS   A HB2  1 c 
ATOM   1079 H  HB3  . LYS   A 1 64  ? -16.566 0.530   -5.360  1.000 13.828 0 176 LYS   A HB3  1 c 
ATOM   1080 H  HG2  . LYS   A 1 64  ? -17.522 1.456   -7.352  1.000 15.973 0 176 LYS   A HG2  1 c 
ATOM   1081 H  HG3  . LYS   A 1 64  ? -18.111 2.631   -6.451  1.000 15.895 0 176 LYS   A HG3  1 c 
ATOM   1082 H  HD2  . LYS   A 1 64  ? -15.712 2.936   -5.755  1.000 19.523 0 176 LYS   A HD2  1 c 
ATOM   1083 H  HD3  . LYS   A 1 64  ? -15.395 2.162   -7.105  1.000 19.645 0 176 LYS   A HD3  1 c 
ATOM   1084 H  HE2  . LYS   A 1 64  ? -16.616 3.842   -8.252  1.000 23.714 0 176 LYS   A HE2  1 c 
ATOM   1085 H  HE3  . LYS   A 1 64  ? -16.679 4.646   -6.887  1.000 23.727 0 176 LYS   A HE3  1 c 
ATOM   1086 H  HZ1  . LYS   A 1 64  ? -14.349 3.925   -8.152  1.000 28.238 0 176 LYS   A HZ1  1 c 
ATOM   1087 H  HZ2  . LYS   A 1 64  ? -14.389 4.633   -6.856  1.000 28.321 0 176 LYS   A HZ2  1 c 
ATOM   1088 H  HZ3  . LYS   A 1 64  ? -14.870 5.303   -8.079  1.000 28.299 0 176 LYS   A HZ3  1 c 
ATOM   1089 N  N    . LEU   A 1 65  ? -19.526 -1.094  -7.149  1.000 12.118 0 177 LEU   A N    1 ? 
ATOM   1090 C  CA   . LEU   A 1 65  ? -19.635 -2.126  -8.173  1.000 13.690 0 177 LEU   A CA   1 ? 
ATOM   1091 C  C    . LEU   A 1 65  ? -19.712 -1.432  -9.541  1.000 13.967 0 177 LEU   A C    1 ? 
ATOM   1092 O  O    . LEU   A 1 65  ? -20.516 -0.532  -9.743  1.000 15.447 0 177 LEU   A O    1 ? 
ATOM   1093 C  CB   . LEU   A 1 65  ? -20.874 -3.006  -7.979  1.000 14.892 0 177 LEU   A CB   1 ? 
ATOM   1094 C  CG   . LEU   A 1 65  ? -20.946 -3.736  -6.638  1.000 16.597 0 177 LEU   A CG   1 ? 
ATOM   1095 C  CD1  . LEU   A 1 65  ? -22.258 -4.479  -6.558  1.000 19.347 0 177 LEU   A CD1  1 ? 
ATOM   1096 C  CD2  . LEU   A 1 65  ? -19.762 -4.673  -6.488  1.000 18.064 0 177 LEU   A CD2  1 ? 
ATOM   1097 H  H    . LEU   A 1 65  ? -20.173 -0.449  -7.118  1.000 12.326 0 177 LEU   A H    1 c 
ATOM   1098 H  HA   . LEU   A 1 65  ? -18.825 -2.689  -8.145  1.000 13.700 0 177 LEU   A HA   1 c 
ATOM   1099 H  HB2  . LEU   A 1 65  ? -21.673 -2.438  -8.069  1.000 14.854 0 177 LEU   A HB2  1 c 
ATOM   1100 H  HB3  . LEU   A 1 65  ? -20.893 -3.676  -8.701  1.000 14.824 0 177 LEU   A HB3  1 c 
ATOM   1101 H  HG   . LEU   A 1 65  ? -20.915 -3.063  -5.911  1.000 16.684 0 177 LEU   A HG   1 c 
ATOM   1102 H  HD11 . LEU   A 1 65  ? -22.994 -3.848  -6.633  1.000 18.678 0 177 LEU   A HD11 1 c 
ATOM   1103 H  HD12 . LEU   A 1 65  ? -22.317 -4.944  -5.706  1.000 18.723 0 177 LEU   A HD12 1 c 
ATOM   1104 H  HD13 . LEU   A 1 65  ? -22.311 -5.125  -7.283  1.000 18.761 0 177 LEU   A HD13 1 c 
ATOM   1105 H  HD21 . LEU   A 1 65  ? -18.937 -4.161  -6.479  1.000 17.628 0 177 LEU   A HD21 1 c 
ATOM   1106 H  HD22 . LEU   A 1 65  ? -19.746 -5.298  -7.233  1.000 17.776 0 177 LEU   A HD22 1 c 
ATOM   1107 H  HD23 . LEU   A 1 65  ? -19.844 -5.167  -5.655  1.000 17.762 0 177 LEU   A HD23 1 c 
ATOM   1108 N  N    . ASP   A 1 66  ? -18.830 -1.821  -10.452 1.000 14.499 0 178 ASP   A N    1 ? 
ATOM   1109 C  CA   . ASP   A 1 66  ? -18.838 -1.253  -11.802 1.000 16.509 0 178 ASP   A CA   1 ? 
ATOM   1110 C  C    . ASP   A 1 66  ? -18.732 0.273   -11.742 1.000 16.650 0 178 ASP   A C    1 ? 
ATOM   1111 O  O    . ASP   A 1 66  ? -19.370 1.009   -12.510 1.000 17.973 0 178 ASP   A O    1 ? 
ATOM   1112 C  CB   . ASP   A 1 66  ? -20.058 -1.734  -12.590 1.000 20.278 0 178 ASP   A CB   1 ? 
ATOM   1113 C  CG   . ASP   A 1 66  ? -20.011 -3.199  -13.007 1.000 24.570 0 178 ASP   A CG   1 ? 
ATOM   1114 O  OD1  . ASP   A 1 66  ? -18.955 -3.833  -12.841 1.000 25.423 0 178 ASP   A OD1  1 ? 
ATOM   1115 O  OD2  . ASP   A 1 66  ? -21.006 -3.687  -13.559 1.000 31.016 0 178 ASP   A OD2  1 ? 
ATOM   1116 H  H    . ASP   A 1 66  ? -18.207 -2.456  -10.241 1.000 14.723 0 178 ASP   A H    1 c 
ATOM   1117 H  HA   . ASP   A 1 66  ? -18.044 -1.589  -12.275 1.000 16.681 0 178 ASP   A HA   1 c 
ATOM   1118 H  HB2  . ASP   A 1 66  ? -20.869 -1.593  -12.060 1.000 19.972 0 178 ASP   A HB2  1 c 
ATOM   1119 H  HB3  . ASP   A 1 66  ? -20.139 -1.198  -13.406 1.000 19.969 0 178 ASP   A HB3  1 c 
ATOM   1120 N  N    . ASN   A 1 67  ? -17.912 0.727   -10.787 1.000 16.065 0 179 ASN   A N    1 ? 
ATOM   1121 C  CA   . ASN   A 1 67  ? -17.588 2.126   -10.574 1.000 16.813 0 179 ASN   A CA   1 ? 
ATOM   1122 C  C    . ASN   A 1 67  ? -18.751 2.929   -9.985  1.000 17.960 0 179 ASN   A C    1 ? 
ATOM   1123 O  O    . ASN   A 1 67  ? -18.668 4.153   -10.009 1.000 21.137 0 179 ASN   A O    1 ? 
ATOM   1124 C  CB   . ASN   A 1 67  ? -17.020 2.759   -11.844 1.000 18.356 0 179 ASN   A CB   1 ? 
ATOM   1125 C  CG   . ASN   A 1 67  ? -15.769 3.544   -11.538 1.000 21.382 0 179 ASN   A CG   1 ? 
ATOM   1126 O  OD1  . ASN   A 1 67  ? -14.912 3.078   -10.749 1.000 21.185 0 179 ASN   A OD1  1 ? 
ATOM   1127 N  ND2  . ASN   A 1 67  ? -15.620 4.666   -12.242 1.000 22.765 0 179 ASN   A ND2  1 ? 
ATOM   1128 H  H    . ASN   A 1 67  ? -17.514 0.114   -10.239 1.000 16.318 0 179 ASN   A H    1 c 
ATOM   1129 H  HA   . ASN   A 1 67  ? -16.868 2.148   -9.904  1.000 17.069 0 179 ASN   A HA   1 c 
ATOM   1130 H  HB2  . ASN   A 1 67  ? -16.809 2.058   -12.492 1.000 18.324 0 179 ASN   A HB2  1 c 
ATOM   1131 H  HB3  . ASN   A 1 67  ? -17.689 3.351   -12.242 1.000 18.590 0 179 ASN   A HB3  1 c 
ATOM   1132 H  HD21 . ASN   A 1 67  ? -16.216 4.892   -12.859 1.000 22.428 0 179 ASN   A HD21 1 c 
ATOM   1133 H  HD22 . ASN   A 1 67  ? -14.919 5.188   -12.093 1.000 22.332 0 179 ASN   A HD22 1 c 
ATOM   1134 N  N    . ASN   A 1 68  ? -19.823 2.256   -9.520  1.000 17.337 0 180 ASN   A N    1 ? 
ATOM   1135 C  CA   . ASN   A 1 68  ? -20.950 2.927   -8.880  1.000 18.877 0 180 ASN   A CA   1 ? 
ATOM   1136 C  C    . ASN   A 1 68  ? -21.060 2.576   -7.393  1.000 16.402 0 180 ASN   A C    1 ? 
ATOM   1137 O  O    . ASN   A 1 68  ? -21.131 1.404   -7.011  1.000 16.104 0 180 ASN   A O    1 ? 
ATOM   1138 C  CB   . ASN   A 1 68  ? -22.291 2.606   -9.554  1.000 21.251 0 180 ASN   A CB   1 ? 
ATOM   1139 C  CG   . ASN   A 1 68  ? -22.313 2.842   -11.037 1.000 26.013 0 180 ASN   A CG   1 ? 
ATOM   1140 O  OD1  . ASN   A 1 68  ? -22.693 1.945   -11.801 1.000 34.305 0 180 ASN   A OD1  1 ? 
ATOM   1141 N  ND2  . ASN   A 1 68  ? -21.931 4.034   -11.440 1.000 27.748 0 180 ASN   A ND2  1 ? 
ATOM   1142 H  H    . ASN   A 1 68  ? -19.846 1.346   -9.596  1.000 17.699 0 180 ASN   A H    1 c 
ATOM   1143 H  HA   . ASN   A 1 68  ? -20.812 3.897   -8.956  1.000 18.494 0 180 ASN   A HA   1 c 
ATOM   1144 H  HB2  . ASN   A 1 68  ? -22.512 1.669   -9.383  1.000 21.509 0 180 ASN   A HB2  1 c 
ATOM   1145 H  HB3  . ASN   A 1 68  ? -22.988 3.154   -9.141  1.000 21.293 0 180 ASN   A HB3  1 c 
ATOM   1146 H  HD21 . ASN   A 1 68  ? -21.878 4.706   -10.863 1.000 27.186 0 180 ASN   A HD21 1 c 
ATOM   1147 H  HD22 . ASN   A 1 68  ? -21.728 4.165   -12.295 1.000 27.422 0 180 ASN   A HD22 1 c 
ATOM   1148 N  N    . TRP   A 1 69  ? -21.204 3.615   -6.572  1.000 15.620 0 181 TRP   A N    1 ? 
ATOM   1149 C  CA   . TRP   A 1 69  ? -21.448 3.382   -5.148  1.000 14.159 0 181 TRP   A CA   1 ? 
ATOM   1150 C  C    . TRP   A 1 69  ? -22.883 2.892   -4.917  1.000 14.678 0 181 TRP   A C    1 ? 
ATOM   1151 O  O    . TRP   A 1 69  ? -23.827 3.366   -5.519  1.000 18.626 0 181 TRP   A O    1 ? 
ATOM   1152 C  CB   . TRP   A 1 69  ? -21.164 4.671   -4.341  1.000 14.547 0 181 TRP   A CB   1 ? 
ATOM   1153 C  CG   . TRP   A 1 69  ? -19.699 5.011   -4.250  1.000 14.084 0 181 TRP   A CG   1 ? 
ATOM   1154 C  CD1  . TRP   A 1 69  ? -19.021 5.988   -4.915  1.000 15.956 0 181 TRP   A CD1  1 ? 
ATOM   1155 C  CD2  . TRP   A 1 69  ? -18.701 4.300   -3.486  1.000 14.465 0 181 TRP   A CD2  1 ? 
ATOM   1156 N  NE1  . TRP   A 1 69  ? -17.690 5.953   -4.617  1.000 16.393 0 181 TRP   A NE1  1 ? 
ATOM   1157 C  CE2  . TRP   A 1 69  ? -17.463 4.926   -3.729  1.000 13.990 0 181 TRP   A CE2  1 ? 
ATOM   1158 C  CE3  . TRP   A 1 69  ? -18.732 3.190   -2.629  1.000 14.337 0 181 TRP   A CE3  1 ? 
ATOM   1159 C  CZ2  . TRP   A 1 69  ? -16.276 4.496   -3.148  1.000 15.265 0 181 TRP   A CZ2  1 ? 
ATOM   1160 C  CZ3  . TRP   A 1 69  ? -17.553 2.771   -2.060  1.000 13.976 0 181 TRP   A CZ3  1 ? 
ATOM   1161 C  CH2  . TRP   A 1 69  ? -16.342 3.403   -2.312  1.000 14.254 0 181 TRP   A CH2  1 ? 
ATOM   1162 H  H    . TRP   A 1 69  ? -21.153 4.471   -6.887  1.000 15.398 0 181 TRP   A H    1 c 
ATOM   1163 H  HA   . TRP   A 1 69  ? -20.819 2.677   -4.835  1.000 14.479 0 181 TRP   A HA   1 c 
ATOM   1164 H  HB2  . TRP   A 1 69  ? -21.639 5.417   -4.765  1.000 14.402 0 181 TRP   A HB2  1 c 
ATOM   1165 H  HB3  . TRP   A 1 69  ? -21.521 4.558   -3.434  1.000 14.292 0 181 TRP   A HB3  1 c 
ATOM   1166 H  HD1  . TRP   A 1 69  ? -19.416 6.614   -5.500  1.000 15.526 0 181 TRP   A HD1  1 c 
ATOM   1167 H  HE1  . TRP   A 1 69  ? -17.087 6.508   -4.919  1.000 15.584 0 181 TRP   A HE1  1 c 
ATOM   1168 H  HE3  . TRP   A 1 69  ? -19.544 2.752   -2.440  1.000 14.219 0 181 TRP   A HE3  1 c 
ATOM   1169 H  HZ2  . TRP   A 1 69  ? -15.458 4.925   -3.333  1.000 14.767 0 181 TRP   A HZ2  1 c 
ATOM   1170 H  HZ3  . TRP   A 1 69  ? -17.566 2.033   -1.473  1.000 14.090 0 181 TRP   A HZ3  1 c 
ATOM   1171 H  HH2  . TRP   A 1 69  ? -15.557 3.087   -1.900  1.000 14.322 0 181 TRP   A HH2  1 c 
ATOM   1172 N  N    . GLY   A 1 70  ? -23.049 2.001   -3.930  1.000 14.127 0 182 GLY   A N    1 ? 
ATOM   1173 C  CA   . GLY   A 1 70  ? -24.342 1.434   -3.589  1.000 14.214 0 182 GLY   A CA   1 ? 
ATOM   1174 C  C    . GLY   A 1 70  ? -24.969 2.182   -2.422  1.000 15.449 0 182 GLY   A C    1 ? 
ATOM   1175 O  O    . GLY   A 1 70  ? -24.719 3.374   -2.211  1.000 15.394 0 182 GLY   A O    1 ? 
ATOM   1176 H  H    . GLY   A 1 70  ? -22.319 1.737   -3.449  1.000 14.158 0 182 GLY   A H    1 c 
ATOM   1177 H  HA2  . GLY   A 1 70  ? -24.939 1.480   -4.372  1.000 14.436 0 182 GLY   A HA2  1 c 
ATOM   1178 H  HA3  . GLY   A 1 70  ? -24.224 0.485   -3.350  1.000 14.265 0 182 GLY   A HA3  1 c 
ATOM   1179 N  N    . ARG   A 1 71  ? -25.784 1.447   -1.666  1.000 15.632 0 183 ARG   A N    1 ? 
ATOM   1180 C  CA   A ARG   A 1 71  ? -26.482 1.964   -0.503  0.600 16.655 0 183 ARG   A CA   1 ? 
ATOM   1181 C  CA   B ARG   A 1 71  ? -26.476 2.008   -0.515  0.400 16.538 0 183 ARG   A CA   1 ? 
ATOM   1182 C  C    . ARG   A 1 71  ? -25.537 2.104   0.696   1.000 14.705 0 183 ARG   A C    1 ? 
ATOM   1183 O  O    . ARG   A 1 71  ? -24.866 1.125   1.100   1.000 16.053 0 183 ARG   A O    1 ? 
ATOM   1184 C  CB   A ARG   A 1 71  ? -27.572 0.939   -0.186  0.600 19.520 0 183 ARG   A CB   1 ? 
ATOM   1185 C  CB   B ARG   A 1 71  ? -27.754 1.219   -0.217  0.400 19.099 0 183 ARG   A CB   1 ? 
ATOM   1186 C  CG   A ARG   A 1 71  ? -28.101 0.980   1.237   0.600 20.831 0 183 ARG   A CG   1 ? 
ATOM   1187 C  CG   B ARG   A 1 71  ? -28.810 1.353   -1.308  0.400 21.188 0 183 ARG   A CG   1 ? 
ATOM   1188 C  CD   A ARG   A 1 71  ? -28.897 2.227   1.355   0.600 23.589 0 183 ARG   A CD   1 ? 
ATOM   1189 C  CD   B ARG   A 1 71  ? -30.195 1.216   -0.708  0.400 24.679 0 183 ARG   A CD   1 ? 
ATOM   1190 N  NE   A ARG   A 1 71  ? -30.080 2.262   0.480   0.600 27.639 0 183 ARG   A NE   1 ? 
ATOM   1191 N  NE   B ARG   A 1 71  ? -30.227 2.071   0.481   0.400 27.278 0 183 ARG   A NE   1 ? 
ATOM   1192 C  CZ   A ARG   A 1 71  ? -31.006 3.200   0.586   0.600 28.362 0 183 ARG   A CZ   1 ? 
ATOM   1193 C  CZ   B ARG   A 1 71  ? -30.994 3.132   0.657   0.400 27.787 0 183 ARG   A CZ   1 ? 
ATOM   1194 N  NH1  A ARG   A 1 71  ? -30.865 4.122   1.517   0.600 29.517 0 183 ARG   A NH1  1 ? 
ATOM   1195 N  NH1  B ARG   A 1 71  ? -30.689 3.985   1.614   0.400 28.400 0 183 ARG   A NH1  1 ? 
ATOM   1196 N  NH2  A ARG   A 1 71  ? -32.047 3.221   -0.238  0.600 28.444 0 183 ARG   A NH2  1 ? 
ATOM   1197 N  NH2  B ARG   A 1 71  ? -31.998 3.369   -0.172  0.400 28.158 0 183 ARG   A NH2  1 ? 
ATOM   1198 H  H    . ARG   A 1 71  ? -25.915 0.570   -1.887  1.000 15.818 0 183 ARG   A H    1 c 
ATOM   1199 H  HA   A ARG   A 1 71  ? -26.876 2.846   -0.725  0.600 16.425 0 183 ARG   A HA   1 c 
ATOM   1200 H  HA   B ARG   A 1 71  ? -26.757 2.928   -0.753  0.400 16.308 0 183 ARG   A HA   1 c 
ATOM   1201 H  HB2  A ARG   A 1 71  ? -28.318 1.081   -0.806  0.600 19.099 0 183 ARG   A HB2  1 c 
ATOM   1202 H  HB2  B ARG   A 1 71  ? -27.522 0.271   -0.115  0.400 18.819 0 183 ARG   A HB2  1 c 
ATOM   1203 H  HB3  A ARG   A 1 71  ? -27.217 0.041   -0.356  0.600 19.043 0 183 ARG   A HB3  1 c 
ATOM   1204 H  HB3  B ARG   A 1 71  ? -28.131 1.530   0.633   0.400 18.840 0 183 ARG   A HB3  1 c 
ATOM   1205 H  HG2  A ARG   A 1 71  ? -28.674 0.201   1.406   0.600 20.881 0 183 ARG   A HG2  1 c 
ATOM   1206 H  HG2  B ARG   A 1 71  ? -28.727 2.228   -1.744  0.400 21.207 0 183 ARG   A HG2  1 c 
ATOM   1207 H  HG3  A ARG   A 1 71  ? -27.361 0.990   1.882   0.600 20.862 0 183 ARG   A HG3  1 c 
ATOM   1208 H  HG3  B ARG   A 1 71  ? -28.678 0.650   -1.982  0.400 21.165 0 183 ARG   A HG3  1 c 
ATOM   1209 H  HD2  A ARG   A 1 71  ? -29.186 2.311   2.286   0.600 23.479 0 183 ARG   A HD2  1 c 
ATOM   1210 H  HD2  B ARG   A 1 71  ? -30.873 1.512   -1.347  0.400 24.278 0 183 ARG   A HD2  1 c 
ATOM   1211 H  HD3  A ARG   A 1 71  ? -28.326 2.996   1.151   0.600 23.434 0 183 ARG   A HD3  1 c 
ATOM   1212 H  HD3  B ARG   A 1 71  ? -30.376 0.288   -0.455  0.400 24.236 0 183 ARG   A HD3  1 c 
ATOM   1213 H  HE   A ARG   A 1 71  ? -30.187 1.636   -0.115  0.600 26.669 0 183 ARG   A HE   1 c 
ATOM   1214 H  HE   B ARG   A 1 71  ? -29.692 1.865   1.137   0.400 26.916 0 183 ARG   A HE   1 c 
ATOM   1215 H  HH11 A ARG   A 1 71  ? -31.502 4.722   1.627   0.600 29.528 0 183 ARG   A HH11 1 c 
ATOM   1216 H  HH11 B ARG   A 1 71  ? -31.148 4.737   1.691   0.400 28.416 0 183 ARG   A HH11 1 c 
ATOM   1217 H  HH12 A ARG   A 1 71  ? -30.145 4.156   2.025   0.600 28.999 0 183 ARG   A HH12 1 c 
ATOM   1218 H  HH12 B ARG   A 1 71  ? -30.026 3.806   2.170   0.400 28.168 0 183 ARG   A HH12 1 c 
ATOM   1219 H  HH21 A ARG   A 1 71  ? -32.651 3.862   -0.167  0.600 28.337 0 183 ARG   A HH21 1 c 
ATOM   1220 H  HH21 B ARG   A 1 71  ? -32.470 4.111   -0.090  0.400 28.056 0 183 ARG   A HH21 1 c 
ATOM   1221 H  HH22 A ARG   A 1 71  ? -32.133 2.595   -0.856  0.600 28.532 0 183 ARG   A HH22 1 c 
ATOM   1222 H  HH22 B ARG   A 1 71  ? -32.192 2.780   -0.802  0.400 28.136 0 183 ARG   A HH22 1 c 
ATOM   1223 N  N    . GLU   A 1 72  ? -25.441 3.336   1.237   1.000 14.319 0 184 GLU   A N    1 ? 
ATOM   1224 C  CA   . GLU   A 1 72  ? -24.644 3.554   2.430   1.000 14.052 0 184 GLU   A CA   1 ? 
ATOM   1225 C  C    . GLU   A 1 72  ? -25.273 2.938   3.677   1.000 14.804 0 184 GLU   A C    1 ? 
ATOM   1226 O  O    . GLU   A 1 72  ? -26.477 2.998   3.884   1.000 16.103 0 184 GLU   A O    1 ? 
ATOM   1227 C  CB   . GLU   A 1 72  ? -24.405 5.043   2.644   1.000 14.892 0 184 GLU   A CB   1 ? 
ATOM   1228 C  CG   . GLU   A 1 72  ? -23.471 5.675   1.620   1.000 15.166 0 184 GLU   A CG   1 ? 
ATOM   1229 C  CD   . GLU   A 1 72  ? -23.320 7.185   1.704   1.000 16.429 0 184 GLU   A CD   1 ? 
ATOM   1230 O  OE1  . GLU   A 1 72  ? -24.067 7.843   2.478   1.000 18.855 0 184 GLU   A OE1  1 ? 
ATOM   1231 O  OE2  . GLU   A 1 72  ? -22.406 7.694   1.015   1.000 17.018 0 184 GLU   A OE2  1 ? 
ATOM   1232 H  H    . GLU   A 1 72  ? -25.875 4.044   0.856   1.000 14.356 0 184 GLU   A H    1 c 
ATOM   1233 H  HA   . GLU   A 1 72  ? -23.762 3.130   2.284   1.000 14.315 0 184 GLU   A HA   1 c 
ATOM   1234 H  HB2  . GLU   A 1 72  ? -25.268 5.507   2.615   1.000 14.747 0 184 GLU   A HB2  1 c 
ATOM   1235 H  HB3  . GLU   A 1 72  ? -24.025 5.176   3.538   1.000 14.813 0 184 GLU   A HB3  1 c 
ATOM   1236 H  HG2  . GLU   A 1 72  ? -22.581 5.274   1.717   1.000 15.379 0 184 GLU   A HG2  1 c 
ATOM   1237 H  HG3  . GLU   A 1 72  ? -23.792 5.450   0.722   1.000 15.283 0 184 GLU   A HG3  1 c 
ATOM   1238 N  N    . GLU   A 1 73  ? -24.388 2.393   4.508   1.000 14.105 0 185 GLU   A N    1 ? 
ATOM   1239 C  CA   . GLU   A 1 73  ? -24.727 2.041   5.891   1.000 14.170 0 185 GLU   A CA   1 ? 
ATOM   1240 C  C    . GLU   A 1 73  ? -23.934 2.947   6.809   1.000 14.497 0 185 GLU   A C    1 ? 
ATOM   1241 O  O    . GLU   A 1 73  ? -22.717 3.048   6.704   1.000 15.932 0 185 GLU   A O    1 ? 
ATOM   1242 C  CB   . GLU   A 1 73  ? -24.398 0.575   6.165   1.000 14.750 0 185 GLU   A CB   1 ? 
ATOM   1243 C  CG   . GLU   A 1 73  ? -25.148 -0.433  5.291   1.000 16.952 0 185 GLU   A CG   1 ? 
ATOM   1244 C  CD   . GLU   A 1 73  ? -24.768 -1.889  5.516   1.000 17.505 0 185 GLU   A CD   1 ? 
ATOM   1245 O  OE1  . GLU   A 1 73  ? -24.528 -2.330  6.660   1.000 19.784 0 185 GLU   A OE1  1 ? 
ATOM   1246 O  OE2  . GLU   A 1 73  ? -24.793 -2.664  4.551   1.000 17.015 0 185 GLU   A OE2  1 ? 
ATOM   1247 H  H    . GLU   A 1 73  ? -23.539 2.227   4.211   1.000 14.156 0 185 GLU   A H    1 c 
ATOM   1248 H  HA   . GLU   A 1 73  ? -25.695 2.195   6.033   1.000 14.387 0 185 GLU   A HA   1 c 
ATOM   1249 H  HB2  . GLU   A 1 73  ? -23.436 0.442   6.035   1.000 14.953 0 185 GLU   A HB2  1 c 
ATOM   1250 H  HB3  . GLU   A 1 73  ? -24.600 0.380   7.104   1.000 14.970 0 185 GLU   A HB3  1 c 
ATOM   1251 H  HG2  . GLU   A 1 73  ? -26.111 -0.337  5.452   1.000 16.610 0 185 GLU   A HG2  1 c 
ATOM   1252 H  HG3  . GLU   A 1 73  ? -24.987 -0.216  4.348   1.000 16.658 0 185 GLU   A HG3  1 c 
ATOM   1253 N  N    . ARG   A 1 74  ? -24.666 3.657   7.666   1.000 15.051 0 186 ARG   A N    1 ? 
ATOM   1254 C  CA   . ARG   A 1 74  ? -24.065 4.691   8.488   1.000 15.979 0 186 ARG   A CA   1 ? 
ATOM   1255 C  C    . ARG   A 1 74  ? -24.184 4.344   9.983   1.000 16.603 0 186 ARG   A C    1 ? 
ATOM   1256 O  O    . ARG   A 1 74  ? -25.165 3.733   10.394  1.000 20.068 0 186 ARG   A O    1 ? 
ATOM   1257 C  CB   . ARG   A 1 74  ? -24.754 6.028   8.196   1.000 17.328 0 186 ARG   A CB   1 ? 
ATOM   1258 C  CG   . ARG   A 1 74  ? -24.336 6.629   6.859   1.000 17.644 0 186 ARG   A CG   1 ? 
ATOM   1259 C  CD   . ARG   A 1 74  ? -25.375 7.542   6.247   1.000 19.068 0 186 ARG   A CD   1 ? 
ATOM   1260 N  NE   . ARG   A 1 74  ? -24.773 8.362   5.191   1.000 18.811 0 186 ARG   A NE   1 ? 
ATOM   1261 C  CZ   . ARG   A 1 74  ? -24.044 9.480   5.352   1.000 16.385 0 186 ARG   A CZ   1 ? 
ATOM   1262 N  NH1  . ARG   A 1 74  ? -24.018 10.103  6.515   1.000 19.844 0 186 ARG   A NH1  1 ? 
ATOM   1263 N  NH2  . ARG   A 1 74  ? -23.421 10.038  4.327   1.000 18.074 0 186 ARG   A NH2  1 ? 
ATOM   1264 H  H    . ARG   A 1 74  ? -25.561 3.493   7.746   1.000 14.981 0 186 ARG   A H    1 c 
ATOM   1265 H  HA   . ARG   A 1 74  ? -23.109 4.766   8.252   1.000 16.149 0 186 ARG   A HA   1 c 
ATOM   1266 H  HB2  . ARG   A 1 74  ? -25.726 5.893   8.196   1.000 17.076 0 186 ARG   A HB2  1 c 
ATOM   1267 H  HB3  . ARG   A 1 74  ? -24.538 6.663   8.913   1.000 17.227 0 186 ARG   A HB3  1 c 
ATOM   1268 H  HG2  . ARG   A 1 74  ? -23.505 7.137   6.985   1.000 17.788 0 186 ARG   A HG2  1 c 
ATOM   1269 H  HG3  . ARG   A 1 74  ? -24.144 5.902   6.227   1.000 17.660 0 186 ARG   A HG3  1 c 
ATOM   1270 H  HD2  . ARG   A 1 74  ? -26.098 7.002   5.867   1.000 18.791 0 186 ARG   A HD2  1 c 
ATOM   1271 H  HD3  . ARG   A 1 74  ? -25.758 8.120   6.937   1.000 18.850 0 186 ARG   A HD3  1 c 
ATOM   1272 H  HE   . ARG   A 1 74  ? -24.901 8.101   4.370   1.000 18.304 0 186 ARG   A HE   1 c 
ATOM   1273 H  HH11 . ARG   A 1 74  ? -23.495 10.804  6.625   1.000 18.881 0 186 ARG   A HH11 1 c 
ATOM   1274 H  HH12 . ARG   A 1 74  ? -24.519 9.824   7.185   1.000 18.985 0 186 ARG   A HH12 1 c 
ATOM   1275 H  HH21 . ARG   A 1 74  ? -22.932 10.763  4.445   1.000 17.558 0 186 ARG   A HH21 1 c 
ATOM   1276 H  HH22 . ARG   A 1 74  ? -23.496 9.682   3.521   1.000 17.735 0 186 ARG   A HH22 1 c 
ATOM   1277 N  N    . GLN   A 1 75  ? -23.180 4.764   10.768  1.000 18.088 0 187 GLN   A N    1 ? 
ATOM   1278 C  CA   . GLN   A 1 75  ? -23.094 4.585   12.227  1.000 20.945 0 187 GLN   A CA   1 ? 
ATOM   1279 C  C    . GLN   A 1 75  ? -22.656 5.923   12.815  1.000 20.922 0 187 GLN   A C    1 ? 
ATOM   1280 O  O    . GLN   A 1 75  ? -21.641 6.456   12.381  1.000 20.812 0 187 GLN   A O    1 ? 
ATOM   1281 C  CB   . GLN   A 1 75  ? -22.058 3.473   12.470  1.000 23.088 0 187 GLN   A CB   1 ? 
ATOM   1282 C  CG   . GLN   A 1 75  ? -21.518 3.262   13.874  1.000 28.084 0 187 GLN   A CG   1 ? 
ATOM   1283 C  CD   . GLN   A 1 75  ? -22.582 2.833   14.849  1.000 32.965 0 187 GLN   A CD   1 ? 
ATOM   1284 O  OE1  . GLN   A 1 75  ? -23.330 3.650   15.401  1.000 37.479 0 187 GLN   A OE1  1 ? 
ATOM   1285 N  NE2  . GLN   A 1 75  ? -22.593 1.537   15.133  1.000 39.287 0 187 GLN   A NE2  1 ? 
ATOM   1286 H  H    . GLN   A 1 75  ? -22.490 5.201   10.359  1.000 18.073 0 187 GLN   A H    1 c 
ATOM   1287 H  HA   . GLN   A 1 75  ? -23.984 4.332   12.581  1.000 20.641 0 187 GLN   A HA   1 c 
ATOM   1288 H  HB2  . GLN   A 1 75  ? -22.459 2.630   12.173  1.000 23.186 0 187 GLN   A HB2  1 c 
ATOM   1289 H  HB3  . GLN   A 1 75  ? -21.297 3.648   11.879  1.000 23.171 0 187 GLN   A HB3  1 c 
ATOM   1290 H  HG2  . GLN   A 1 75  ? -20.811 2.582   13.850  1.000 27.531 0 187 GLN   A HG2  1 c 
ATOM   1291 H  HG3  . GLN   A 1 75  ? -21.115 4.096   14.195  1.000 27.444 0 187 GLN   A HG3  1 c 
ATOM   1292 H  HE21 . GLN   A 1 75  ? -22.026 0.984   14.734  1.000 37.237 0 187 GLN   A HE21 1 c 
ATOM   1293 H  HE22 . GLN   A 1 75  ? -23.176 1.222   15.723  1.000 37.433 0 187 GLN   A HE22 1 c 
ATOM   1294 N  N    . SER   A 1 76  ? -23.329 6.399   13.876  1.000 22.530 0 188 SER   A N    1 ? 
ATOM   1295 C  CA   . SER   A 1 76  ? -22.895 7.621   14.556  1.000 22.662 0 188 SER   A CA   1 ? 
ATOM   1296 C  C    . SER   A 1 76  ? -21.904 7.337   15.682  1.000 22.459 0 188 SER   A C    1 ? 
ATOM   1297 O  O    . SER   A 1 76  ? -21.152 8.236   16.078  1.000 22.631 0 188 SER   A O    1 ? 
ATOM   1298 C  CB   . SER   A 1 76  ? -24.060 8.489   15.033  1.000 23.103 0 188 SER   A CB   1 ? 
ATOM   1299 O  OG   . SER   A 1 76  ? -24.687 9.086   13.905  1.000 28.534 0 188 SER   A OG   1 ? 
ATOM   1300 H  H    . SER   A 1 76  ? -24.068 5.958   14.183  1.000 22.260 0 188 SER   A H    1 c 
ATOM   1301 H  HA   . SER   A 1 76  ? -22.405 8.160   13.884  1.000 22.813 0 188 SER   A HA   1 c 
ATOM   1302 H  HB2  . SER   A 1 76  ? -24.704 7.937   15.516  1.000 23.713 0 188 SER   A HB2  1 c 
ATOM   1303 H  HB3  . SER   A 1 76  ? -23.729 9.183   15.633  1.000 23.882 0 188 SER   A HB3  1 c 
ATOM   1304 H  HG   . SER   A 1 76  ? -25.325 9.564   14.171  0.000 29.025 0 188 SER   A HG   1 c 
ATOM   1305 N  N    . VAL   A 1 77  ? -21.859 6.097   16.184  1.000 19.368 0 189 VAL   A N    1 ? 
ATOM   1306 C  CA   . VAL   A 1 77  ? -20.812 5.754   17.128  1.000 20.491 0 189 VAL   A CA   1 ? 
ATOM   1307 C  C    . VAL   A 1 77  ? -19.478 5.965   16.421  1.000 17.725 0 189 VAL   A C    1 ? 
ATOM   1308 O  O    . VAL   A 1 77  ? -19.245 5.443   15.329  1.000 19.960 0 189 VAL   A O    1 ? 
ATOM   1309 C  CB   . VAL   A 1 77  ? -20.949 4.334   17.694  1.000 24.027 0 189 VAL   A CB   1 ? 
ATOM   1310 C  CG1  . VAL   A 1 77  ? -19.786 3.961   18.615  1.000 26.845 0 189 VAL   A CG1  1 ? 
ATOM   1311 C  CG2  . VAL   A 1 77  ? -22.275 4.192   18.436  1.000 26.589 0 189 VAL   A CG2  1 ? 
ATOM   1312 H  H    . VAL   A 1 77  ? -22.476 5.469   15.942  1.000 20.126 0 189 VAL   A H    1 c 
ATOM   1313 H  HA   . VAL   A 1 77  ? -20.866 6.381   17.876  1.000 20.057 0 189 VAL   A HA   1 c 
ATOM   1314 H  HB   . VAL   A 1 77  ? -20.951 3.711   16.931  1.000 24.020 0 189 VAL   A HB   1 c 
ATOM   1315 H  HG11 . VAL   A 1 77  ? -19.727 4.604   19.342  1.000 26.286 0 189 VAL   A HG11 1 c 
ATOM   1316 H  HG12 . VAL   A 1 77  ? -18.955 3.965   18.111  1.000 26.185 0 189 VAL   A HG12 1 c 
ATOM   1317 H  HG13 . VAL   A 1 77  ? -19.935 3.073   18.982  1.000 26.067 0 189 VAL   A HG13 1 c 
ATOM   1318 H  HG21 . VAL   A 1 77  ? -22.352 3.290   18.791  1.000 25.933 0 189 VAL   A HG21 1 c 
ATOM   1319 H  HG22 . VAL   A 1 77  ? -23.012 4.362   17.827  1.000 25.957 0 189 VAL   A HG22 1 c 
ATOM   1320 H  HG23 . VAL   A 1 77  ? -22.307 4.830   19.168  1.000 26.076 0 189 VAL   A HG23 1 c 
ATOM   1321 N  N    . PHE   A 1 78  ? -18.614 6.750   17.046  1.000 16.212 0 190 PHE   A N    1 ? 
ATOM   1322 C  CA   . PHE   A 1 78  ? -17.447 7.256   16.351  1.000 15.688 0 190 PHE   A CA   1 ? 
ATOM   1323 C  C    . PHE   A 1 78  ? -16.265 7.174   17.300  1.000 16.484 0 190 PHE   A C    1 ? 
ATOM   1324 O  O    . PHE   A 1 78  ? -16.092 8.052   18.136  1.000 19.585 0 190 PHE   A O    1 ? 
ATOM   1325 C  CB   . PHE   A 1 78  ? -17.705 8.689   15.889  1.000 16.227 0 190 PHE   A CB   1 ? 
ATOM   1326 C  CG   . PHE   A 1 78  ? -16.656 9.171   14.906  1.000 15.989 0 190 PHE   A CG   1 ? 
ATOM   1327 C  CD1  . PHE   A 1 78  ? -15.464 9.734   15.338  1.000 15.568 0 190 PHE   A CD1  1 ? 
ATOM   1328 C  CD2  . PHE   A 1 78  ? -16.856 9.025   13.538  1.000 14.640 0 190 PHE   A CD2  1 ? 
ATOM   1329 C  CE1  . PHE   A 1 78  ? -14.538 10.185  14.424  1.000 16.492 0 190 PHE   A CE1  1 ? 
ATOM   1330 C  CE2  . PHE   A 1 78  ? -15.905 9.461   12.643  1.000 15.701 0 190 PHE   A CE2  1 ? 
ATOM   1331 C  CZ   . PHE   A 1 78  ? -14.761 10.019  13.063  1.000 14.765 0 190 PHE   A CZ   1 ? 
ATOM   1332 H  H    . PHE   A 1 78  ? -18.747 6.976   17.922  1.000 16.317 0 190 PHE   A H    1 c 
ATOM   1333 H  HA   . PHE   A 1 78  ? -17.269 6.691   15.556  1.000 16.073 0 190 PHE   A HA   1 c 
ATOM   1334 H  HB2  . PHE   A 1 78  ? -18.589 8.729   15.463  1.000 16.065 0 190 PHE   A HB2  1 c 
ATOM   1335 H  HB3  . PHE   A 1 78  ? -17.712 9.282   16.673  1.000 16.209 0 190 PHE   A HB3  1 c 
ATOM   1336 H  HD1  . PHE   A 1 78  ? -15.309 9.850   16.262  1.000 15.880 0 190 PHE   A HD1  1 c 
ATOM   1337 H  HD2  . PHE   A 1 78  ? -17.654 8.634   13.222  1.000 15.076 0 190 PHE   A HD2  1 c 
ATOM   1338 H  HE1  . PHE   A 1 78  ? -13.730 10.569  14.726  1.000 15.921 0 190 PHE   A HE1  1 c 
ATOM   1339 H  HE2  . PHE   A 1 78  ? -16.059 9.360   11.717  1.000 15.438 0 190 PHE   A HE2  1 c 
ATOM   1340 H  HZ   . PHE   A 1 78  ? -14.120 10.316  12.437  1.000 15.121 0 190 PHE   A HZ   1 c 
ATOM   1341 N  N    . PRO   A 1 79  ? -15.484 6.091   17.284  1.000 15.411 0 191 PRO   A N    1 ? 
ATOM   1342 C  CA   . PRO   A 1 79  ? -14.417 5.869   18.262  1.000 16.297 0 191 PRO   A CA   1 ? 
ATOM   1343 C  C    . PRO   A 1 79  ? -13.064 6.531   18.039  1.000 17.884 0 191 PRO   A C    1 ? 
ATOM   1344 O  O    . PRO   A 1 79  ? -12.202 6.411   18.911  1.000 22.491 0 191 PRO   A O    1 ? 
ATOM   1345 C  CB   . PRO   A 1 79  ? -14.307 4.325   18.220  1.000 16.957 0 191 PRO   A CB   1 ? 
ATOM   1346 C  CG   . PRO   A 1 79  ? -14.541 4.017   16.794  1.000 17.130 0 191 PRO   A CG   1 ? 
ATOM   1347 C  CD   . PRO   A 1 79  ? -15.679 4.929   16.417  1.000 16.791 0 191 PRO   A CD   1 ? 
ATOM   1348 H  HA   . PRO   A 1 79  ? -14.759 6.139   19.151  1.000 16.378 0 191 PRO   A HA   1 c 
ATOM   1349 H  HB2  . PRO   A 1 79  ? -13.413 4.024   18.507  1.000 16.830 0 191 PRO   A HB2  1 c 
ATOM   1350 H  HB3  . PRO   A 1 79  ? -14.992 3.905   18.791  1.000 16.827 0 191 PRO   A HB3  1 c 
ATOM   1351 H  HG2  . PRO   A 1 79  ? -13.744 4.209   16.256  1.000 17.066 0 191 PRO   A HG2  1 c 
ATOM   1352 H  HG3  . PRO   A 1 79  ? -14.790 3.077   16.672  1.000 16.986 0 191 PRO   A HG3  1 c 
ATOM   1353 H  HD2  . PRO   A 1 79  ? -15.626 5.182   15.469  1.000 16.820 0 191 PRO   A HD2  1 c 
ATOM   1354 H  HD3  . PRO   A 1 79  ? -16.547 4.501   16.589  1.000 16.523 0 191 PRO   A HD3  1 c 
ATOM   1355 N  N    . PHE   A 1 80  ? -12.931 7.298   16.951  1.000 16.433 0 192 PHE   A N    1 ? 
ATOM   1356 C  CA   . PHE   A 1 80  ? -11.709 7.983   16.614  1.000 15.515 0 192 PHE   A CA   1 ? 
ATOM   1357 C  C    . PHE   A 1 80  ? -11.679 9.398   17.181  1.000 15.892 0 192 PHE   A C    1 ? 
ATOM   1358 O  O    . PHE   A 1 80  ? -12.700 10.033  17.363  1.000 18.426 0 192 PHE   A O    1 ? 
ATOM   1359 C  CB   . PHE   A 1 80  ? -11.504 8.073   15.099  1.000 14.245 0 192 PHE   A CB   1 ? 
ATOM   1360 C  CG   . PHE   A 1 80  ? -11.547 6.723   14.413  1.000 12.913 0 192 PHE   A CG   1 ? 
ATOM   1361 C  CD1  . PHE   A 1 80  ? -10.427 5.917   14.358  1.000 12.568 0 192 PHE   A CD1  1 ? 
ATOM   1362 C  CD2  . PHE   A 1 80  ? -12.731 6.265   13.866  1.000 14.194 0 192 PHE   A CD2  1 ? 
ATOM   1363 C  CE1  . PHE   A 1 80  ? -10.521 4.667   13.766  1.000 12.466 0 192 PHE   A CE1  1 ? 
ATOM   1364 C  CE2  . PHE   A 1 80  ? -12.805 5.005   13.282  1.000 13.381 0 192 PHE   A CE2  1 ? 
ATOM   1365 C  CZ   . PHE   A 1 80  ? -11.705 4.227   13.230  1.000 13.245 0 192 PHE   A CZ   1 ? 
ATOM   1366 H  H    . PHE   A 1 80  ? -13.646 7.392   16.390  1.000 16.440 0 192 PHE   A H    1 c 
ATOM   1367 H  HA   . PHE   A 1 80  ? -10.949 7.472   17.001  1.000 15.562 0 192 PHE   A HA   1 c 
ATOM   1368 H  HB2  . PHE   A 1 80  ? -12.204 8.649   14.720  1.000 14.070 0 192 PHE   A HB2  1 c 
ATOM   1369 H  HB3  . PHE   A 1 80  ? -10.633 8.495   14.924  1.000 14.159 0 192 PHE   A HB3  1 c 
ATOM   1370 H  HD1  . PHE   A 1 80  ? -9.613  6.207   14.738  1.000 12.533 0 192 PHE   A HD1  1 c 
ATOM   1371 H  HD2  . PHE   A 1 80  ? -13.505 6.804   13.915  1.000 13.551 0 192 PHE   A HD2  1 c 
ATOM   1372 H  HE1  . PHE   A 1 80  ? -9.756  4.116   13.720  1.000 12.543 0 192 PHE   A HE1  1 c 
ATOM   1373 H  HE2  . PHE   A 1 80  ? -13.617 4.705   12.904  1.000 13.332 0 192 PHE   A HE2  1 c 
ATOM   1374 H  HZ   . PHE   A 1 80  ? -11.747 3.380   12.814  1.000 13.210 0 192 PHE   A HZ   1 c 
ATOM   1375 N  N    . GLU   A 1 81  ? -10.462 9.832   17.467  1.000 15.898 0 193 GLU   A N    1 ? 
ATOM   1376 C  CA   . GLU   A 1 81  ? -10.231 11.181  17.921  1.000 16.396 0 193 GLU   A CA   1 ? 
ATOM   1377 C  C    . GLU   A 1 81  ? -9.009  11.713  17.193  1.000 16.837 0 193 GLU   A C    1 ? 
ATOM   1378 O  O    . GLU   A 1 81  ? -7.987  11.049  17.109  1.000 16.534 0 193 GLU   A O    1 ? 
ATOM   1379 C  CB   . GLU   A 1 81  ? -10.009 11.254  19.437  1.000 17.283 0 193 GLU   A CB   1 ? 
ATOM   1380 C  CG   . GLU   A 1 81  ? -11.204 10.785  20.258  1.000 19.489 0 193 GLU   A CG   1 ? 
ATOM   1381 C  CD   . GLU   A 1 81  ? -12.388 11.725  20.159  1.000 20.252 0 193 GLU   A CD   1 ? 
ATOM   1382 O  OE1  . GLU   A 1 81  ? -12.228 12.942  19.887  1.000 24.614 0 193 GLU   A OE1  1 ? 
ATOM   1383 O  OE2  . GLU   A 1 81  ? -13.518 11.222  20.354  1.000 24.431 0 193 GLU   A OE2  1 ? 
ATOM   1384 H  H    . GLU   A 1 81  ? -9.748  9.269   17.378  1.000 15.860 0 193 GLU   A H    1 c 
ATOM   1385 H  HA   . GLU   A 1 81  ? -11.017 11.734  17.681  1.000 16.551 0 193 GLU   A HA   1 c 
ATOM   1386 H  HB2  . GLU   A 1 81  ? -9.235  10.699  19.668  1.000 17.451 0 193 GLU   A HB2  1 c 
ATOM   1387 H  HB3  . GLU   A 1 81  ? -9.794  12.179  19.681  1.000 17.478 0 193 GLU   A HB3  1 c 
ATOM   1388 H  HG2  . GLU   A 1 81  ? -11.480 9.896   19.951  1.000 19.111 0 193 GLU   A HG2  1 c 
ATOM   1389 H  HG3  . GLU   A 1 81  ? -10.939 10.710  21.200  1.000 19.221 0 193 GLU   A HG3  1 c 
ATOM   1390 N  N    A SER   A 1 82  ? -9.115  12.951  16.710  0.500 17.438 0 194 SER   A N    1 ? 
ATOM   1391 N  N    B SER   A 1 82  ? -9.103  12.947  16.687  0.500 17.972 0 194 SER   A N    1 ? 
ATOM   1392 C  CA   A SER   A 1 82  ? -7.970  13.648  16.153  0.500 17.665 0 194 SER   A CA   1 ? 
ATOM   1393 C  CA   B SER   A 1 82  ? -7.959  13.570  16.042  0.500 18.946 0 194 SER   A CA   1 ? 
ATOM   1394 C  C    A SER   A 1 82  ? -6.767  13.574  17.091  0.500 16.500 0 194 SER   A C    1 ? 
ATOM   1395 C  C    B SER   A 1 82  ? -6.781  13.656  17.014  0.500 16.807 0 194 SER   A C    1 ? 
ATOM   1396 O  O    A SER   A 1 82  ? -6.900  13.767  18.300  0.500 17.788 0 194 SER   A O    1 ? 
ATOM   1397 O  O    B SER   A 1 82  ? -6.951  14.066  18.163  0.500 18.531 0 194 SER   A O    1 ? 
ATOM   1398 C  CB   A SER   A 1 82  ? -8.341  15.072  15.841  0.500 19.228 0 194 SER   A CB   1 ? 
ATOM   1399 C  CB   B SER   A 1 82  ? -8.318  14.931  15.472  0.500 21.844 0 194 SER   A CB   1 ? 
ATOM   1400 O  OG   A SER   A 1 82  ? -9.101  15.099  14.638  0.500 21.306 0 194 SER   A OG   1 ? 
ATOM   1401 O  OG   B SER   A 1 82  ? -8.774  15.827  16.475  0.500 23.920 0 194 SER   A OG   1 ? 
ATOM   1402 H  H    A SER   A 1 82  ? -9.924  13.376  16.727  0.500 17.260 0 194 SER   A H    1 c 
ATOM   1403 H  H    B SER   A 1 82  ? -9.889  13.409  16.745  0.500 17.771 0 194 SER   A H    1 c 
ATOM   1404 H  HA   A SER   A 1 82  ? -7.727  13.199  15.304  0.500 17.675 0 194 SER   A HA   1 c 
ATOM   1405 H  HA   B SER   A 1 82  ? -7.689  12.989  15.289  0.500 18.743 0 194 SER   A HA   1 c 
ATOM   1406 H  HB2  A SER   A 1 82  ? -8.868  15.443  16.574  0.500 19.067 0 194 SER   A HB2  1 c 
ATOM   1407 H  HB2  B SER   A 1 82  ? -7.533  15.312  15.035  0.500 21.547 0 194 SER   A HB2  1 c 
ATOM   1408 H  HB3  A SER   A 1 82  ? -7.531  15.607  15.734  0.500 19.199 0 194 SER   A HB3  1 c 
ATOM   1409 H  HB3  B SER   A 1 82  ? -9.015  14.822  14.798  0.500 21.561 0 194 SER   A HB3  1 c 
ATOM   1410 H  HG   A SER   A 1 82  ? -9.307  15.894  14.460  0.000 21.824 0 194 SER   A HG   1 c 
ATOM   1411 H  HG   B SER   A 1 82  ? -8.961  16.567  16.117  0.000 24.124 0 194 SER   A HG   1 c 
ATOM   1412 N  N    . GLY   A 1 83  ? -5.600  13.261  16.528  1.000 15.941 0 195 GLY   A N    1 ? 
ATOM   1413 C  CA   . GLY   A 1 83  ? -4.352  13.260  17.271  1.000 14.647 0 195 GLY   A CA   1 ? 
ATOM   1414 C  C    . GLY   A 1 83  ? -4.064  11.969  18.032  1.000 14.764 0 195 GLY   A C    1 ? 
ATOM   1415 O  O    . GLY   A 1 83  ? -2.948  11.832  18.543  1.000 17.003 0 195 GLY   A O    1 ? 
ATOM   1416 H  H    . GLY   A 1 83  ? -5.572  13.002  15.652  1.000 16.147 0 195 GLY   A H    1 c 
ATOM   1417 H  HA2  . GLY   A 1 83  ? -3.613  13.426  16.640  1.000 14.802 0 195 GLY   A HA2  1 c 
ATOM   1418 H  HA3  . GLY   A 1 83  ? -4.364  14.010  17.911  1.000 14.612 0 195 GLY   A HA3  1 c 
ATOM   1419 N  N    . LYS   A 1 84  ? -5.019  11.021  18.083  1.000 13.451 0 196 LYS   A N    1 ? 
ATOM   1420 C  CA   . LYS   A 1 84  ? -4.868  9.874   18.968  1.000 12.877 0 196 LYS   A CA   1 ? 
ATOM   1421 C  C    . LYS   A 1 84  ? -4.520  8.588   18.216  1.000 13.024 0 196 LYS   A C    1 ? 
ATOM   1422 O  O    . LYS   A 1 84  ? -4.978  8.361   17.082  1.000 13.867 0 196 LYS   A O    1 ? 
ATOM   1423 C  CB   . LYS   A 1 84  ? -6.109  9.556   19.807  1.000 13.389 0 196 LYS   A CB   1 ? 
ATOM   1424 C  CG   . LYS   A 1 84  ? -6.463  10.615  20.825  1.000 13.417 0 196 LYS   A CG   1 ? 
ATOM   1425 C  CD   . LYS   A 1 84  ? -7.427  10.106  21.885  1.000 13.567 0 196 LYS   A CD   1 ? 
ATOM   1426 C  CE   . LYS   A 1 84  ? -8.132  11.229  22.580  1.000 14.082 0 196 LYS   A CE   1 ? 
ATOM   1427 N  NZ   . LYS   A 1 84  ? -8.786  10.759  23.807  1.000 13.641 0 196 LYS   A NZ   1 ? 
ATOM   1428 H  H    . LYS   A 1 84  ? -5.762  11.080  17.555  1.000 13.547 0 196 LYS   A H    1 c 
ATOM   1429 H  HA   . LYS   A 1 84  ? -4.133  10.074  19.598  1.000 13.153 0 196 LYS   A HA   1 c 
ATOM   1430 H  HB2  . LYS   A 1 84  ? -6.874  9.436   19.205  1.000 13.296 0 196 LYS   A HB2  1 c 
ATOM   1431 H  HB3  . LYS   A 1 84  ? -5.965  8.708   20.279  1.000 13.328 0 196 LYS   A HB3  1 c 
ATOM   1432 H  HG2  . LYS   A 1 84  ? -5.639  10.923  21.259  1.000 13.413 0 196 LYS   A HG2  1 c 
ATOM   1433 H  HG3  . LYS   A 1 84  ? -6.869  11.378  20.359  1.000 13.498 0 196 LYS   A HG3  1 c 
ATOM   1434 H  HD2  . LYS   A 1 84  ? -8.091  9.519   21.463  1.000 13.627 0 196 LYS   A HD2  1 c 
ATOM   1435 H  HD3  . LYS   A 1 84  ? -6.928  9.579   22.547  1.000 13.499 0 196 LYS   A HD3  1 c 
ATOM   1436 H  HE2  . LYS   A 1 84  ? -7.493  11.928  22.806  1.000 13.898 0 196 LYS   A HE2  1 c 
ATOM   1437 H  HE3  . LYS   A 1 84  ? -8.804  11.611  21.987  1.000 13.909 0 196 LYS   A HE3  1 c 
ATOM   1438 H  HZ1  . LYS   A 1 84  ? -8.172  10.389  24.360  1.000 13.749 0 196 LYS   A HZ1  1 c 
ATOM   1439 H  HZ2  . LYS   A 1 84  ? -9.412  10.138  23.601  1.000 13.764 0 196 LYS   A HZ2  1 c 
ATOM   1440 H  HZ3  . LYS   A 1 84  ? -9.185  11.455  24.228  1.000 13.622 0 196 LYS   A HZ3  1 c 
ATOM   1441 N  N    . PRO   A 1 85  ? -3.700  7.726   18.849  1.000 12.929 0 197 PRO   A N    1 ? 
ATOM   1442 C  CA   . PRO   A 1 85  ? -3.414  6.390   18.328  1.000 13.705 0 197 PRO   A CA   1 ? 
ATOM   1443 C  C    . PRO   A 1 85  ? -4.653  5.508   18.285  1.000 12.061 0 197 PRO   A C    1 ? 
ATOM   1444 O  O    . PRO   A 1 85  ? -5.447  5.512   19.230  1.000 13.483 0 197 PRO   A O    1 ? 
ATOM   1445 C  CB   . PRO   A 1 85  ? -2.331  5.848   19.229  1.000 14.892 0 197 PRO   A CB   1 ? 
ATOM   1446 C  CG   . PRO   A 1 85  ? -2.400  6.650   20.447  1.000 16.115 0 197 PRO   A CG   1 ? 
ATOM   1447 C  CD   . PRO   A 1 85  ? -3.093  7.949   20.160  1.000 13.781 0 197 PRO   A CD   1 ? 
ATOM   1448 H  HA   . PRO   A 1 85  ? -3.050  6.489   17.416  1.000 13.378 0 197 PRO   A HA   1 c 
ATOM   1449 H  HB2  . PRO   A 1 85  ? -2.487  4.895   19.431  1.000 14.692 0 197 PRO   A HB2  1 c 
ATOM   1450 H  HB3  . PRO   A 1 85  ? -1.447  5.937   18.804  1.000 14.855 0 197 PRO   A HB3  1 c 
ATOM   1451 H  HG2  . PRO   A 1 85  ? -2.889  6.161   21.141  1.000 15.302 0 197 PRO   A HG2  1 c 
ATOM   1452 H  HG3  . PRO   A 1 85  ? -1.497  6.826   20.782  1.000 15.385 0 197 PRO   A HG3  1 c 
ATOM   1453 H  HD2  . PRO   A 1 85  ? -3.776  8.139   20.841  1.000 13.904 0 197 PRO   A HD2  1 c 
ATOM   1454 H  HD3  . PRO   A 1 85  ? -2.449  8.691   20.132  1.000 13.885 0 197 PRO   A HD3  1 c 
ATOM   1455 N  N    . PHE   A 1 86  ? -4.802  4.746   17.189  1.000 12.568 0 198 PHE   A N    1 ? 
ATOM   1456 C  CA   . PHE   A 1 86  ? -5.925  3.837   17.026  1.000 11.799 0 198 PHE   A CA   1 ? 
ATOM   1457 C  C    . PHE   A 1 86  ? -5.453  2.466   16.577  1.000 11.754 0 198 PHE   A C    1 ? 
ATOM   1458 O  O    . PHE   A 1 86  ? -4.355  2.292   16.046  1.000 12.137 0 198 PHE   A O    1 ? 
ATOM   1459 C  CB   . PHE   A 1 86  ? -6.935  4.426   16.034  1.000 13.005 0 198 PHE   A CB   1 ? 
ATOM   1460 C  CG   . PHE   A 1 86  ? -6.393  4.450   14.619  1.000 13.338 0 198 PHE   A CG   1 ? 
ATOM   1461 C  CD1  . PHE   A 1 86  ? -6.449  3.346   13.811  1.000 13.110 0 198 PHE   A CD1  1 ? 
ATOM   1462 C  CD2  . PHE   A 1 86  ? -5.807  5.599   14.132  1.000 15.328 0 198 PHE   A CD2  1 ? 
ATOM   1463 C  CE1  . PHE   A 1 86  ? -5.900  3.394   12.546  1.000 14.072 0 198 PHE   A CE1  1 ? 
ATOM   1464 C  CE2  . PHE   A 1 86  ? -5.240  5.643   12.888  1.000 16.681 0 198 PHE   A CE2  1 ? 
ATOM   1465 C  CZ   . PHE   A 1 86  ? -5.316  4.530   12.082  1.000 15.749 0 198 PHE   A CZ   1 ? 
ATOM   1466 H  H    . PHE   A 1 86  ? -4.178  4.796   16.523  1.000 12.260 0 198 PHE   A H    1 c 
ATOM   1467 H  HA   . PHE   A 1 86  ? -6.375  3.738   17.904  1.000 11.874 0 198 PHE   A HA   1 c 
ATOM   1468 H  HB2  . PHE   A 1 86  ? -7.756  3.886   16.059  1.000 12.883 0 198 PHE   A HB2  1 c 
ATOM   1469 H  HB3  . PHE   A 1 86  ? -7.156  5.342   16.314  1.000 12.807 0 198 PHE   A HB3  1 c 
ATOM   1470 H  HD1  . PHE   A 1 86  ? -6.842  2.549   14.128  1.000 13.357 0 198 PHE   A HD1  1 c 
ATOM   1471 H  HD2  . PHE   A 1 86  ? -5.746  6.355   14.694  1.000 14.802 0 198 PHE   A HD2  1 c 
ATOM   1472 H  HE1  . PHE   A 1 86  ? -5.946  2.633   11.990  1.000 14.319 0 198 PHE   A HE1  1 c 
ATOM   1473 H  HE2  . PHE   A 1 86  ? -4.851  6.441   12.567  1.000 15.961 0 198 PHE   A HE2  1 c 
ATOM   1474 H  HZ   . PHE   A 1 86  ? -4.958  4.553   11.208  1.000 15.247 0 198 PHE   A HZ   1 c 
ATOM   1475 N  N    . LYS   A 1 87  ? -6.381  1.532   16.727  1.000 11.910 0 199 LYS   A N    1 ? 
ATOM   1476 C  CA   . LYS   A 1 87  ? -6.230  0.196   16.177  1.000 12.416 0 199 LYS   A CA   1 ? 
ATOM   1477 C  C    . LYS   A 1 87  ? -7.575  -0.156  15.575  1.000 11.643 0 199 LYS   A C    1 ? 
ATOM   1478 O  O    . LYS   A 1 87  ? -8.593  -0.164  16.274  1.000 13.600 0 199 LYS   A O    1 ? 
ATOM   1479 C  CB   . LYS   A 1 87  ? -5.898  -0.842  17.246  1.000 13.276 0 199 LYS   A CB   1 ? 
ATOM   1480 C  CG   . LYS   A 1 87  ? -5.858  -2.292  16.802  1.000 13.956 0 199 LYS   A CG   1 ? 
ATOM   1481 C  CD   . LYS   A 1 87  ? -5.302  -3.223  17.855  1.000 16.336 0 199 LYS   A CD   1 ? 
ATOM   1482 C  CE   . LYS   A 1 87  ? -6.252  -3.443  18.983  1.000 17.392 0 199 LYS   A CE   1 ? 
ATOM   1483 N  NZ   . LYS   A 1 87  ? -5.612  -4.228  20.036  1.000 22.879 0 199 LYS   A NZ   1 ? 
ATOM   1484 H  H    . LYS   A 1 87  ? -7.141  1.730   17.195  1.000 11.836 0 199 LYS   A H    1 c 
ATOM   1485 H  HA   . LYS   A 1 87  ? -5.537  0.208   15.472  1.000 12.348 0 199 LYS   A HA   1 c 
ATOM   1486 H  HB2  . LYS   A 1 87  ? -5.022  -0.618  17.626  1.000 13.157 0 199 LYS   A HB2  1 c 
ATOM   1487 H  HB3  . LYS   A 1 87  ? -6.559  -0.762  17.966  1.000 13.263 0 199 LYS   A HB3  1 c 
ATOM   1488 H  HG2  . LYS   A 1 87  ? -6.770  -2.576  16.574  1.000 14.167 0 199 LYS   A HG2  1 c 
ATOM   1489 H  HG3  . LYS   A 1 87  ? -5.308  -2.358  15.992  1.000 14.071 0 199 LYS   A HG3  1 c 
ATOM   1490 H  HD2  . LYS   A 1 87  ? -5.093  -4.088  17.439  1.000 15.901 0 199 LYS   A HD2  1 c 
ATOM   1491 H  HD3  . LYS   A 1 87  ? -4.467  -2.846  18.208  1.000 15.936 0 199 LYS   A HD3  1 c 
ATOM   1492 H  HE2  . LYS   A 1 87  ? -6.543  -2.590  19.351  1.000 17.703 0 199 LYS   A HE2  1 c 
ATOM   1493 H  HE3  . LYS   A 1 87  ? -7.038  -3.921  18.662  1.000 17.870 0 199 LYS   A HE3  1 c 
ATOM   1494 H  HZ1  . LYS   A 1 87  ? -4.888  -3.784  20.351  1.000 21.070 0 199 LYS   A HZ1  1 c 
ATOM   1495 H  HZ2  . LYS   A 1 87  ? -5.348  -5.028  19.704  1.000 21.334 0 199 LYS   A HZ2  1 c 
ATOM   1496 H  HZ3  . LYS   A 1 87  ? -6.192  -4.366  20.715  1.000 21.268 0 199 LYS   A HZ3  1 c 
ATOM   1497 N  N    . ILE   A 1 88  ? -7.594  -0.374  14.249  1.000 11.653 0 200 ILE   A N    1 ? 
ATOM   1498 C  CA   . ILE   A 1 88  ? -8.769  -0.916  13.569  1.000 11.470 0 200 ILE   A CA   1 ? 
ATOM   1499 C  C    . ILE   A 1 88  ? -8.523  -2.393  13.330  1.000 11.360 0 200 ILE   A C    1 ? 
ATOM   1500 O  O    . ILE   A 1 88  ? -7.517  -2.761  12.737  1.000 12.660 0 200 ILE   A O    1 ? 
ATOM   1501 C  CB   . ILE   A 1 88  ? -9.038  -0.199  12.233  1.000 12.081 0 200 ILE   A CB   1 ? 
ATOM   1502 C  CG1  . ILE   A 1 88  ? -9.244  1.305   12.422  1.000 12.229 0 200 ILE   A CG1  1 ? 
ATOM   1503 C  CG2  . ILE   A 1 88  ? -10.245 -0.846  11.552  1.000 13.313 0 200 ILE   A CG2  1 ? 
ATOM   1504 C  CD1  . ILE   A 1 88  ? -9.147  2.098   11.145  1.000 12.994 0 200 ILE   A CD1  1 ? 
ATOM   1505 H  H    . ILE   A 1 88  ? -6.852  -0.177  13.753  1.000 11.555 0 200 ILE   A H    1 c 
ATOM   1506 H  HA   . ILE   A 1 88  ? -9.549  -0.809  14.146  1.000 11.590 0 200 ILE   A HA   1 c 
ATOM   1507 H  HB   . ILE   A 1 88  ? -8.258  -0.328  11.658  1.000 12.181 0 200 ILE   A HB   1 c 
ATOM   1508 H  HG12 . ILE   A 1 88  ? -10.127 1.454   12.818  1.000 12.309 0 200 ILE   A HG12 1 c 
ATOM   1509 H  HG13 . ILE   A 1 88  ? -8.574  1.640   13.051  1.000 12.366 0 200 ILE   A HG13 1 c 
ATOM   1510 H  HG21 . ILE   A 1 88  ? -10.444 -0.377  10.725  1.000 13.125 0 200 ILE   A HG21 1 c 
ATOM   1511 H  HG22 . ILE   A 1 88  ? -11.016 -0.797  12.142  1.000 13.098 0 200 ILE   A HG22 1 c 
ATOM   1512 H  HG23 . ILE   A 1 88  ? -10.051 -1.776  11.353  1.000 12.998 0 200 ILE   A HG23 1 c 
ATOM   1513 H  HD11 . ILE   A 1 88  ? -8.267  1.963   10.744  1.000 12.828 0 200 ILE   A HD11 1 c 
ATOM   1514 H  HD12 . ILE   A 1 88  ? -9.271  3.046   11.341  1.000 12.808 0 200 ILE   A HD12 1 c 
ATOM   1515 H  HD13 . ILE   A 1 88  ? -9.835  1.804   10.519  1.000 12.852 0 200 ILE   A HD13 1 c 
ATOM   1516 N  N    . GLN   A 1 89  ? -9.463  -3.227  13.751  1.000 11.966 0 201 GLN   A N    1 ? 
ATOM   1517 C  CA   . GLN   A 1 89  ? -9.399  -4.646  13.453  1.000 11.921 0 201 GLN   A CA   1 ? 
ATOM   1518 C  C    . GLN   A 1 89  ? -10.634 -5.051  12.673  1.000 12.295 0 201 GLN   A C    1 ? 
ATOM   1519 O  O    . GLN   A 1 89  ? -11.749 -4.753  13.056  1.000 13.971 0 201 GLN   A O    1 ? 
ATOM   1520 C  CB   . GLN   A 1 89  ? -9.298  -5.463  14.730  1.000 13.872 0 201 GLN   A CB   1 ? 
ATOM   1521 C  CG   . GLN   A 1 89  ? -7.914  -5.292  15.328  1.000 16.598 0 201 GLN   A CG   1 ? 
ATOM   1522 C  CD   . GLN   A 1 89  ? -7.757  -6.032  16.611  1.000 20.235 0 201 GLN   A CD   1 ? 
ATOM   1523 O  OE1  . GLN   A 1 89  ? -8.578  -5.838  17.511  1.000 21.178 0 201 GLN   A OE1  1 ? 
ATOM   1524 N  NE2  . GLN   A 1 89  ? -6.718  -6.850  16.688  1.000 22.744 0 201 GLN   A NE2  1 ? 
ATOM   1525 H  H    . GLN   A 1 89  ? -10.167 -2.909  14.240  1.000 11.763 0 201 GLN   A H    1 c 
ATOM   1526 H  HA   . GLN   A 1 89  ? -8.598  -4.816  12.902  1.000 12.209 0 201 GLN   A HA   1 c 
ATOM   1527 H  HB2  . GLN   A 1 89  ? -9.976  -5.159  15.370  1.000 13.848 0 201 GLN   A HB2  1 c 
ATOM   1528 H  HB3  . GLN   A 1 89  ? -9.460  -6.408  14.533  1.000 13.768 0 201 GLN   A HB3  1 c 
ATOM   1529 H  HG2  . GLN   A 1 89  ? -7.244  -5.610  14.687  1.000 16.381 0 201 GLN   A HG2  1 c 
ATOM   1530 H  HG3  . GLN   A 1 89  ? -7.745  -4.340  15.488  1.000 16.500 0 201 GLN   A HG3  1 c 
ATOM   1531 H  HE21 . GLN   A 1 89  ? -6.157  -6.933  16.006  1.000 22.046 0 201 GLN   A HE21 1 c 
ATOM   1532 H  HE22 . GLN   A 1 89  ? -6.583  -7.319  17.429  1.000 21.995 0 201 GLN   A HE22 1 c 
ATOM   1533 N  N    . VAL   A 1 90  ? -10.363 -5.662  11.519  1.000 11.623 0 202 VAL   A N    1 ? 
ATOM   1534 C  CA   . VAL   A 1 90  ? -11.387 -6.167  10.624  1.000 12.447 0 202 VAL   A CA   1 ? 
ATOM   1535 C  C    . VAL   A 1 90  ? -11.303 -7.687  10.608  1.000 12.564 0 202 VAL   A C    1 ? 
ATOM   1536 O  O    . VAL   A 1 90  ? -10.290 -8.230  10.186  1.000 13.766 0 202 VAL   A O    1 ? 
ATOM   1537 C  CB   . VAL   A 1 90  ? -11.268 -5.622  9.198   1.000 12.083 0 202 VAL   A CB   1 ? 
ATOM   1538 C  CG1  . VAL   A 1 90  ? -12.469 -6.095  8.409   1.000 13.842 0 202 VAL   A CG1  1 ? 
ATOM   1539 C  CG2  . VAL   A 1 90  ? -11.189 -4.088  9.159   1.000 12.144 0 202 VAL   A CG2  1 ? 
ATOM   1540 H  H    . VAL   A 1 90  ? -9.488  -5.770  11.276  1.000 11.926 0 202 VAL   A H    1 c 
ATOM   1541 H  HA   . VAL   A 1 90  ? -12.259 -5.908  10.977  1.000 12.262 0 202 VAL   A HA   1 c 
ATOM   1542 H  HB   . VAL   A 1 90  ? -10.448 -5.997  8.798   1.000 12.345 0 202 VAL   A HB   1 c 
ATOM   1543 H  HG11 . VAL   A 1 90  ? -13.284 -5.798  8.849   1.000 13.449 0 202 VAL   A HG11 1 c 
ATOM   1544 H  HG12 . VAL   A 1 90  ? -12.466 -7.065  8.355   1.000 13.472 0 202 VAL   A HG12 1 c 
ATOM   1545 H  HG13 . VAL   A 1 90  ? -12.434 -5.723  7.512   1.000 13.420 0 202 VAL   A HG13 1 c 
ATOM   1546 H  HG21 . VAL   A 1 90  ? -11.128 -3.789  8.236   1.000 11.994 0 202 VAL   A HG21 1 c 
ATOM   1547 H  HG22 . VAL   A 1 90  ? -10.404 -3.789  9.648   1.000 12.143 0 202 VAL   A HG22 1 c 
ATOM   1548 H  HG23 . VAL   A 1 90  ? -11.987 -3.712  9.567   1.000 12.131 0 202 VAL   A HG23 1 c 
ATOM   1549 N  N    . LEU   A 1 91  ? -12.331 -8.325  11.184  1.000 12.519 0 203 LEU   A N    1 ? 
ATOM   1550 C  CA   . LEU   A 1 91  ? -12.441 -9.768  11.285  1.000 13.809 0 203 LEU   A CA   1 ? 
ATOM   1551 C  C    . LEU   A 1 91  ? -13.367 -10.234 10.184  1.000 12.655 0 203 LEU   A C    1 ? 
ATOM   1552 O  O    . LEU   A 1 91  ? -14.519 -9.829  10.120  1.000 14.212 0 203 LEU   A O    1 ? 
ATOM   1553 C  CB   . LEU   A 1 91  ? -12.989 -10.170 12.659  1.000 15.514 0 203 LEU   A CB   1 ? 
ATOM   1554 C  CG   . LEU   A 1 91  ? -13.133 -11.688 12.837  1.000 17.968 0 203 LEU   A CG   1 ? 
ATOM   1555 C  CD1  . LEU   A 1 91  ? -11.799 -12.372 12.694  1.000 18.972 0 203 LEU   A CD1  1 ? 
ATOM   1556 C  CD2  . LEU   A 1 91  ? -13.697 -11.962 14.183  1.000 21.415 0 203 LEU   A CD2  1 ? 
ATOM   1557 H  H    . LEU   A 1 91  ? -13.006 -7.820  11.537  1.000 12.670 0 203 LEU   A H    1 c 
ATOM   1558 H  HA   . LEU   A 1 91  ? -11.544 -10.164 11.155  1.000 13.581 0 203 LEU   A HA   1 c 
ATOM   1559 H  HB2  . LEU   A 1 91  ? -12.378 -9.827  13.352  1.000 15.427 0 203 LEU   A HB2  1 c 
ATOM   1560 H  HB3  . LEU   A 1 91  ? -13.872 -9.752  12.778  1.000 15.446 0 203 LEU   A HB3  1 c 
ATOM   1561 H  HG   . LEU   A 1 91  ? -13.755 -12.037 12.148  1.000 17.909 0 203 LEU   A HG   1 c 
ATOM   1562 H  HD11 . LEU   A 1 91  ? -11.464 -12.255 11.790  1.000 18.652 0 203 LEU   A HD11 1 c 
ATOM   1563 H  HD12 . LEU   A 1 91  ? -11.900 -13.321 12.878  1.000 18.722 0 203 LEU   A HD12 1 c 
ATOM   1564 H  HD13 . LEU   A 1 91  ? -11.167 -11.987 13.325  1.000 18.778 0 203 LEU   A HD13 1 c 
ATOM   1565 H  HD21 . LEU   A 1 91  ? -14.570 -11.543 14.261  1.000 20.503 0 203 LEU   A HD21 1 c 
ATOM   1566 H  HD22 . LEU   A 1 91  ? -13.104 -11.603 14.864  1.000 20.583 0 203 LEU   A HD22 1 c 
ATOM   1567 H  HD23 . LEU   A 1 91  ? -13.787 -12.922 14.308  1.000 20.552 0 203 LEU   A HD23 1 c 
ATOM   1568 N  N    . VAL   A 1 92  ? -12.846 -11.098 9.319   1.000 12.551 0 204 VAL   A N    1 ? 
ATOM   1569 C  CA   . VAL   A 1 92  ? -13.666 -11.656 8.257   1.000 12.970 0 204 VAL   A CA   1 ? 
ATOM   1570 C  C    . VAL   A 1 92  ? -14.445 -12.845 8.815   1.000 13.431 0 204 VAL   A C    1 ? 
ATOM   1571 O  O    . VAL   A 1 92  ? -13.855 -13.787 9.331   1.000 15.535 0 204 VAL   A O    1 ? 
ATOM   1572 C  CB   . VAL   A 1 92  ? -12.767 -12.055 7.081   1.000 14.200 0 204 VAL   A CB   1 ? 
ATOM   1573 C  CG1  . VAL   A 1 92  ? -13.592 -12.568 5.912   1.000 14.185 0 204 VAL   A CG1  1 ? 
ATOM   1574 C  CG2  . VAL   A 1 92  ? -11.872 -10.921 6.606   1.000 14.299 0 204 VAL   A CG2  1 ? 
ATOM   1575 H  H    . VAL   A 1 92  ? -11.972 -11.356 9.393   1.000 12.646 0 204 VAL   A H    1 c 
ATOM   1576 H  HA   . VAL   A 1 92  ? -14.297 -10.974 7.953   1.000 13.099 0 204 VAL   A HA   1 c 
ATOM   1577 H  HB   . VAL   A 1 92  ? -12.188 -12.790 7.392   1.000 14.042 0 204 VAL   A HB   1 c 
ATOM   1578 H  HG11 . VAL   A 1 92  ? -14.218 -11.880 5.631   1.000 14.171 0 204 VAL   A HG11 1 c 
ATOM   1579 H  HG12 . VAL   A 1 92  ? -14.083 -13.362 6.182   1.000 14.207 0 204 VAL   A HG12 1 c 
ATOM   1580 H  HG13 . VAL   A 1 92  ? -13.002 -12.790 5.172   1.000 14.253 0 204 VAL   A HG13 1 c 
ATOM   1581 H  HG21 . VAL   A 1 92  ? -11.338 -11.222 5.853   1.000 14.192 0 204 VAL   A HG21 1 c 
ATOM   1582 H  HG22 . VAL   A 1 92  ? -11.283 -10.645 7.328   1.000 14.196 0 204 VAL   A HG22 1 c 
ATOM   1583 H  HG23 . VAL   A 1 92  ? -12.421 -10.167 6.331   1.000 14.297 0 204 VAL   A HG23 1 c 
ATOM   1584 N  N    . GLU   A 1 93  ? -15.768 -12.780 8.719   1.000 13.895 0 205 GLU   A N    1 ? 
ATOM   1585 C  CA   . GLU   A 1 93  ? -16.618 -13.899 9.081   1.000 15.023 0 205 GLU   A CA   1 ? 
ATOM   1586 C  C    . GLU   A 1 93  ? -17.360 -14.397 7.850   1.000 14.864 0 205 GLU   A C    1 ? 
ATOM   1587 O  O    . GLU   A 1 93  ? -17.255 -13.781 6.788   1.000 14.223 0 205 GLU   A O    1 ? 
ATOM   1588 C  CB   . GLU   A 1 93  ? -17.595 -13.415 10.156  1.000 15.860 0 205 GLU   A CB   1 ? 
ATOM   1589 C  CG   . GLU   A 1 93  ? -16.919 -12.976 11.453  1.000 17.286 0 205 GLU   A CG   1 ? 
ATOM   1590 C  CD   . GLU   A 1 93  ? -17.850 -12.661 12.619  1.000 24.989 0 205 GLU   A CD   1 ? 
ATOM   1591 O  OE1  . GLU   A 1 93  ? -19.079 -12.616 12.436  1.000 32.071 0 205 GLU   A OE1  1 ? 
ATOM   1592 O  OE2  . GLU   A 1 93  ? -17.339 -12.439 13.736  1.000 36.250 0 205 GLU   A OE2  1 ? 
ATOM   1593 H  H    . GLU   A 1 93  ? -16.159 -12.010 8.419   1.000 13.928 0 205 GLU   A H    1 c 
ATOM   1594 H  HA   . GLU   A 1 93  ? -16.054 -14.628 9.442   1.000 14.868 0 205 GLU   A HA   1 c 
ATOM   1595 H  HB2  . GLU   A 1 93  ? -18.111 -12.664 9.797   1.000 15.943 0 205 GLU   A HB2  1 c 
ATOM   1596 H  HB3  . GLU   A 1 93  ? -18.224 -14.136 10.362  1.000 15.979 0 205 GLU   A HB3  1 c 
ATOM   1597 H  HG2  . GLU   A 1 93  ? -16.300 -13.681 11.739  1.000 17.718 0 205 GLU   A HG2  1 c 
ATOM   1598 H  HG3  . GLU   A 1 93  ? -16.380 -12.177 11.270  1.000 17.642 0 205 GLU   A HG3  1 c 
ATOM   1599 N  N    . PRO   A 1 94  ? -18.038 -15.566 7.922   1.000 13.590 0 206 PRO   A N    1 ? 
ATOM   1600 C  CA   . PRO   A 1 94  ? -18.638 -16.144 6.725   1.000 13.821 0 206 PRO   A CA   1 ? 
ATOM   1601 C  C    . PRO   A 1 94  ? -19.616 -15.223 6.012   1.000 14.250 0 206 PRO   A C    1 ? 
ATOM   1602 O  O    . PRO   A 1 94  ? -19.684 -15.237 4.770   1.000 16.174 0 206 PRO   A O    1 ? 
ATOM   1603 C  CB   . PRO   A 1 94  ? -19.245 -17.462 7.242   1.000 15.354 0 206 PRO   A CB   1 ? 
ATOM   1604 C  CG   . PRO   A 1 94  ? -18.373 -17.826 8.432   1.000 15.754 0 206 PRO   A CG   1 ? 
ATOM   1605 C  CD   . PRO   A 1 94  ? -18.103 -16.471 9.088   1.000 14.423 0 206 PRO   A CD   1 ? 
ATOM   1606 H  HA   . PRO   A 1 94  ? -17.902 -16.359 6.100   1.000 14.006 0 206 PRO   A HA   1 c 
ATOM   1607 H  HB2  . PRO   A 1 94  ? -20.183 -17.334 7.517   1.000 15.117 0 206 PRO   A HB2  1 c 
ATOM   1608 H  HB3  . PRO   A 1 94  ? -19.206 -18.163 6.549   1.000 15.071 0 206 PRO   A HB3  1 c 
ATOM   1609 H  HG2  . PRO   A 1 94  ? -18.844 -18.427 9.046   1.000 15.473 0 206 PRO   A HG2  1 c 
ATOM   1610 H  HG3  . PRO   A 1 94  ? -17.538 -18.250 8.143   1.000 15.393 0 206 PRO   A HG3  1 c 
ATOM   1611 H  HD2  . PRO   A 1 94  ? -18.834 -16.221 9.696   1.000 14.461 0 206 PRO   A HD2  1 c 
ATOM   1612 H  HD3  . PRO   A 1 94  ? -17.255 -16.483 9.584   1.000 14.403 0 206 PRO   A HD3  1 c 
ATOM   1613 N  N    . ASP   A 1 95  ? -20.368 -14.422 6.774   1.000 13.884 0 207 ASP   A N    1 ? 
ATOM   1614 C  CA   . ASP   A 1 95  ? -21.405 -13.577 6.204   1.000 14.017 0 207 ASP   A CA   1 ? 
ATOM   1615 C  C    . ASP   A 1 95  ? -21.154 -12.072 6.320   1.000 13.848 0 207 ASP   A C    1 ? 
ATOM   1616 O  O    . ASP   A 1 95  ? -21.924 -11.325 5.744   1.000 13.958 0 207 ASP   A O    1 ? 
ATOM   1617 C  CB   . ASP   A 1 95  ? -22.745 -13.914 6.797   1.000 15.505 0 207 ASP   A CB   1 ? 
ATOM   1618 C  CG   . ASP   A 1 95  ? -23.321 -15.234 6.338   1.000 16.209 0 207 ASP   A CG   1 ? 
ATOM   1619 O  OD1  . ASP   A 1 95  ? -22.953 -15.713 5.207   1.000 16.613 0 207 ASP   A OD1  1 ? 
ATOM   1620 O  OD2  . ASP   A 1 95  ? -24.224 -15.691 7.057   1.000 16.916 0 207 ASP   A OD2  1 ? 
ATOM   1621 H  H    . ASP   A 1 95  ? -20.242 -14.413 7.678   1.000 13.919 0 207 ASP   A H    1 c 
ATOM   1622 H  HA   . ASP   A 1 95  ? -21.470 -13.783 5.247   1.000 14.086 0 207 ASP   A HA   1 c 
ATOM   1623 H  HB2  . ASP   A 1 95  ? -22.658 -13.943 7.772   1.000 15.527 0 207 ASP   A HB2  1 c 
ATOM   1624 H  HB3  . ASP   A 1 95  ? -23.389 -13.211 6.575   1.000 15.333 0 207 ASP   A HB3  1 c 
ATOM   1625 N  N    . HIS   A 1 96  ? -20.143 -11.634 7.074   1.000 13.781 0 208 HIS   A N    1 ? 
ATOM   1626 C  CA   . HIS   A 1 96  ? -19.912 -10.222 7.228   1.000 12.687 0 208 HIS   A CA   1 ? 
ATOM   1627 C  C    . HIS   A 1 96  ? -18.451 -9.958  7.551   1.000 12.876 0 208 HIS   A C    1 ? 
ATOM   1628 O  O    . HIS   A 1 96  ? -17.699 -10.846 7.925   1.000 13.876 0 208 HIS   A O    1 ? 
ATOM   1629 C  CB   . HIS   A 1 96  ? -20.839 -9.604  8.275   1.000 16.509 0 208 HIS   A CB   1 ? 
ATOM   1630 C  CG   . HIS   A 1 96  ? -20.868 -10.299 9.544   1.000 19.541 0 208 HIS   A CG   1 ? 
ATOM   1631 N  ND1  . HIS   A 1 96  ? -21.839 -11.193 9.946   1.000 25.223 0 208 HIS   A ND1  1 ? 
ATOM   1632 C  CD2  . HIS   A 1 96  ? -19.939 -10.244 10.531  1.000 22.760 0 208 HIS   A CD2  1 ? 
ATOM   1633 C  CE1  . HIS   A 1 96  ? -21.511 -11.620 11.162  1.000 25.476 0 208 HIS   A CE1  1 ? 
ATOM   1634 N  NE2  . HIS   A 1 96  ? -20.366 -11.068 11.537  1.000 24.895 0 208 HIS   A NE2  1 ? 
ATOM   1635 H  H    . HIS   A 1 96  ? -19.593 -12.227 7.499   1.000 13.569 0 208 HIS   A H    1 c 
ATOM   1636 H  HA   . HIS   A 1 96  ? -20.110 -9.794  6.359   1.000 12.991 0 208 HIS   A HA   1 c 
ATOM   1637 H  HB2  . HIS   A 1 96  ? -20.562 -8.676  8.431   1.000 15.596 0 208 HIS   A HB2  1 c 
ATOM   1638 H  HB3  . HIS   A 1 96  ? -21.748 -9.580  7.910   1.000 15.881 0 208 HIS   A HB3  1 c 
ATOM   1639 H  HD1  . HIS   A 1 96  ? -22.538 -11.428 9.480   0.000 25.611 0 208 HIS   A HD1  1 c 
ATOM   1640 H  HD2  . HIS   A 1 96  ? -19.159 -9.724  10.542  1.000 22.035 0 208 HIS   A HD2  1 c 
ATOM   1641 H  HE1  . HIS   A 1 96  ? -22.013 -12.237 11.668  1.000 25.033 0 208 HIS   A HE1  1 c 
ATOM   1642 H  HE2  . HIS   A 1 96  ? -19.963 -11.216 12.316  0.000 24.961 0 208 HIS   A HE2  1 c 
ATOM   1643 N  N    . PHE   A 1 97  ? -18.071 -8.685  7.363   1.000 11.994 0 209 PHE   A N    1 ? 
ATOM   1644 C  CA   . PHE   A 1 97  ? -16.917 -8.120  8.035   1.000 13.018 0 209 PHE   A CA   1 ? 
ATOM   1645 C  C    . PHE   A 1 97  ? -17.356 -7.541  9.380   1.000 13.555 0 209 PHE   A C    1 ? 
ATOM   1646 O  O    . PHE   A 1 97  ? -18.382 -6.903  9.444   1.000 14.629 0 209 PHE   A O    1 ? 
ATOM   1647 C  CB   . PHE   A 1 97  ? -16.341 -6.970  7.221   1.000 12.920 0 209 PHE   A CB   1 ? 
ATOM   1648 C  CG   . PHE   A 1 97  ? -15.784 -7.337  5.866   1.000 13.422 0 209 PHE   A CG   1 ? 
ATOM   1649 C  CD1  . PHE   A 1 97  ? -14.501 -7.871  5.742   1.000 13.501 0 209 PHE   A CD1  1 ? 
ATOM   1650 C  CD2  . PHE   A 1 97  ? -16.542 -7.188  4.708   1.000 13.675 0 209 PHE   A CD2  1 ? 
ATOM   1651 C  CE1  . PHE   A 1 97  ? -13.988 -8.168  4.504   1.000 14.827 0 209 PHE   A CE1  1 ? 
ATOM   1652 C  CE2  . PHE   A 1 97  ? -16.012 -7.491  3.463   1.000 14.677 0 209 PHE   A CE2  1 ? 
ATOM   1653 C  CZ   . PHE   A 1 97  ? -14.745 -7.996  3.367   1.000 14.280 0 209 PHE   A CZ   1 ? 
ATOM   1654 H  H    . PHE   A 1 97  ? -18.550 -8.155  6.793   1.000 12.220 0 209 PHE   A H    1 c 
ATOM   1655 H  HA   . PHE   A 1 97  ? -16.226 -8.820  8.173   1.000 12.850 0 209 PHE   A HA   1 c 
ATOM   1656 H  HB2  . PHE   A 1 97  ? -17.048 -6.298  7.095   1.000 12.983 0 209 PHE   A HB2  1 c 
ATOM   1657 H  HB3  . PHE   A 1 97  ? -15.627 -6.547  7.747   1.000 13.057 0 209 PHE   A HB3  1 c 
ATOM   1658 H  HD1  . PHE   A 1 97  ? -13.965 -7.980  6.511   1.000 13.536 0 209 PHE   A HD1  1 c 
ATOM   1659 H  HD2  . PHE   A 1 97  ? -17.412 -6.827  4.768   1.000 13.793 0 209 PHE   A HD2  1 c 
ATOM   1660 H  HE1  . PHE   A 1 97  ? -13.116 -8.522  4.435   1.000 14.356 0 209 PHE   A HE1  1 c 
ATOM   1661 H  HE2  . PHE   A 1 97  ? -16.536 -7.376  2.687   1.000 14.347 0 209 PHE   A HE2  1 c 
ATOM   1662 H  HZ   . PHE   A 1 97  ? -14.389 -8.225  2.523   1.000 14.318 0 209 PHE   A HZ   1 c 
ATOM   1663 N  N    . LYS   A 1 98  ? -16.587 -7.830  10.441  1.000 12.679 0 210 LYS   A N    1 ? 
ATOM   1664 C  CA   . LYS   A 1 98  ? -16.812 -7.273  11.763  1.000 13.562 0 210 LYS   A CA   1 ? 
ATOM   1665 C  C    . LYS   A 1 98  ? -15.658 -6.324  12.039  1.000 13.120 0 210 LYS   A C    1 ? 
ATOM   1666 O  O    . LYS   A 1 98  ? -14.514 -6.678  11.872  1.000 16.123 0 210 LYS   A O    1 ? 
ATOM   1667 C  CB   . LYS   A 1 98  ? -16.857 -8.418  12.781  1.000 16.402 0 210 LYS   A CB   1 ? 
ATOM   1668 C  CG   . LYS   A 1 98  ? -17.115 -8.040  14.214  1.000 20.663 0 210 LYS   A CG   1 ? 
ATOM   1669 H  H    . LYS   A 1 98  ? -15.886 -8.406  10.328  1.000 13.017 0 210 LYS   A H    1 c 
ATOM   1670 H  HA   . LYS   A 1 98  ? -17.667 -6.773  11.766  1.000 13.630 0 210 LYS   A HA   1 c 
ATOM   1671 H  HB2  . LYS   A 1 98  ? -17.557 -9.047  12.502  1.000 16.342 0 210 LYS   A HB2  1 c 
ATOM   1672 H  HB3  . LYS   A 1 98  ? -16.002 -8.897  12.742  1.000 16.304 0 210 LYS   A HB3  1 c 
ATOM   1673 H  HG2  . LYS   A 1 98  ? -16.353 -7.513  14.538  1.000 19.350 0 210 LYS   A HG2  1 c 
ATOM   1674 H  HG3  . LYS   A 1 98  ? -17.923 -7.551  14.251  0.000 21.439 0 210 LYS   A HG3  1 c 
ATOM   1675 N  N    . VAL   A 1 99  ? -15.984 -5.120  12.498  1.000 11.940 0 211 VAL   A N    1 ? 
ATOM   1676 C  CA   . VAL   A 1 99  ? -14.990 -4.107  12.797  1.000 11.720 0 211 VAL   A CA   1 ? 
ATOM   1677 C  C    . VAL   A 1 99  ? -15.027 -3.772  14.285  1.000 11.376 0 211 VAL   A C    1 ? 
ATOM   1678 O  O    . VAL   A 1 99  ? -16.095 -3.514  14.836  1.000 12.516 0 211 VAL   A O    1 ? 
ATOM   1679 C  CB   . VAL   A 1 99  ? -15.194 -2.842  11.959  1.000 12.196 0 211 VAL   A CB   1 ? 
ATOM   1680 C  CG1  . VAL   A 1 99  ? -14.120 -1.806  12.255  1.000 12.756 0 211 VAL   A CG1  1 ? 
ATOM   1681 C  CG2  . VAL   A 1 99  ? -15.205 -3.181  10.492  1.000 13.018 0 211 VAL   A CG2  1 ? 
ATOM   1682 H  H    . VAL   A 1 99  ? -16.865 -4.919  12.632  1.000 12.115 0 211 VAL   A H    1 c 
ATOM   1683 H  HA   . VAL   A 1 99  ? -14.112 -4.471  12.585  1.000 11.821 0 211 VAL   A HA   1 c 
ATOM   1684 H  HB   . VAL   A 1 99  ? -16.072 -2.464  12.201  1.000 12.264 0 211 VAL   A HB   1 c 
ATOM   1685 H  HG11 . VAL   A 1 99  ? -13.242 -2.191  12.090  1.000 12.660 0 211 VAL   A HG11 1 c 
ATOM   1686 H  HG12 . VAL   A 1 99  ? -14.180 -1.527  13.184  1.000 12.642 0 211 VAL   A HG12 1 c 
ATOM   1687 H  HG13 . VAL   A 1 99  ? -14.246 -1.033  11.679  1.000 12.605 0 211 VAL   A HG13 1 c 
ATOM   1688 H  HG21 . VAL   A 1 99  ? -15.311 -2.367  9.971   1.000 12.855 0 211 VAL   A HG21 1 c 
ATOM   1689 H  HG22 . VAL   A 1 99  ? -15.944 -3.783  10.301  1.000 12.842 0 211 VAL   A HG22 1 c 
ATOM   1690 H  HG23 . VAL   A 1 99  ? -14.367 -3.611  10.251  1.000 12.821 0 211 VAL   A HG23 1 c 
ATOM   1691 N  N    . ALA   A 1 100 ? -13.840 -3.785  14.866  1.000 11.307 0 212 ALA   A N    1 ? 
ATOM   1692 C  CA   . ALA   A 1 100 ? -13.629 -3.328  16.236  1.000 11.602 0 212 ALA   A CA   1 ? 
ATOM   1693 C  C    . ALA   A 1 100 ? -12.553 -2.243  16.170  1.000 12.072 0 212 ALA   A C    1 ? 
ATOM   1694 O  O    . ALA   A 1 100 ? -11.546 -2.389  15.494  1.000 13.310 0 212 ALA   A O    1 ? 
ATOM   1695 C  CB   . ALA   A 1 100 ? -13.218 -4.444  17.172  1.000 14.171 0 212 ALA   A CB   1 ? 
ATOM   1696 H  H    . ALA   A 1 100 ? -13.120 -4.094  14.396  1.000 11.384 0 212 ALA   A H    1 c 
ATOM   1697 H  HA   . ALA   A 1 100 ? -14.474 -2.917  16.566  1.000 11.963 0 212 ALA   A HA   1 c 
ATOM   1698 H  HB1  . ALA   A 1 100 ? -13.909 -5.128  17.189  1.000 13.502 0 212 ALA   A HB1  1 c 
ATOM   1699 H  HB2  . ALA   A 1 100 ? -12.384 -4.838  16.864  1.000 13.498 0 212 ALA   A HB2  1 c 
ATOM   1700 H  HB3  . ALA   A 1 100 ? -13.094 -4.090  18.068  1.000 13.646 0 212 ALA   A HB3  1 c 
ATOM   1701 N  N    . VAL   A 1 101 ? -12.710 -1.200  16.980  1.000 11.716 0 213 VAL   A N    1 ? 
ATOM   1702 C  CA   . VAL   A 1 101 ? -11.720 -0.137  17.102  1.000 11.404 0 213 VAL   A CA   1 ? 
ATOM   1703 C  C    . VAL   A 1 101 ? -11.295 -0.051  18.566  1.000 11.734 0 213 VAL   A C    1 ? 
ATOM   1704 O  O    . VAL   A 1 101 ? -12.152 0.037   19.448  1.000 12.289 0 213 VAL   A O    1 ? 
ATOM   1705 C  CB   . VAL   A 1 101 ? -12.284 1.201   16.575  1.000 11.648 0 213 VAL   A CB   1 ? 
ATOM   1706 C  CG1  . VAL   A 1 101 ? -11.243 2.300   16.717  1.000 12.525 0 213 VAL   A CG1  1 ? 
ATOM   1707 C  CG2  . VAL   A 1 101 ? -12.746 1.039   15.129  1.000 11.948 0 213 VAL   A CG2  1 ? 
ATOM   1708 H  H    . VAL   A 1 101 ? -13.470 -1.145  17.485  1.000 11.656 0 213 VAL   A H    1 c 
ATOM   1709 H  HA   . VAL   A 1 101 ? -10.944 -0.375  16.565  1.000 11.591 0 213 VAL   A HA   1 c 
ATOM   1710 H  HB   . VAL   A 1 101 ? -13.065 1.434   17.130  1.000 11.760 0 213 VAL   A HB   1 c 
ATOM   1711 H  HG11 . VAL   A 1 101 ? -10.435 2.046   16.240  1.000 12.373 0 213 VAL   A HG11 1 c 
ATOM   1712 H  HG12 . VAL   A 1 101 ? -11.035 2.436   17.656  1.000 12.419 0 213 VAL   A HG12 1 c 
ATOM   1713 H  HG13 . VAL   A 1 101 ? -11.592 3.127   16.342  1.000 12.247 0 213 VAL   A HG13 1 c 
ATOM   1714 H  HG21 . VAL   A 1 101 ? -13.076 1.890   14.797  1.000 11.840 0 213 VAL   A HG21 1 c 
ATOM   1715 H  HG22 . VAL   A 1 101 ? -13.458 0.378   15.086  1.000 11.852 0 213 VAL   A HG22 1 c 
ATOM   1716 H  HG23 . VAL   A 1 101 ? -12.000 0.746   14.580  1.000 11.939 0 213 VAL   A HG23 1 c 
ATOM   1717 N  N    . ASN   A 1 102 ? -9.978  -0.057  18.793  1.000 12.191 0 214 ASN   A N    1 ? 
ATOM   1718 C  CA   . ASN   A 1 102 ? -9.438  0.046   20.132  1.000 12.072 0 214 ASN   A CA   1 ? 
ATOM   1719 C  C    . ASN   A 1 102 ? -10.114 -0.992  21.017  1.000 14.108 0 214 ASN   A C    1 ? 
ATOM   1720 O  O    . ASN   A 1 102 ? -10.438 -0.695  22.157  1.000 16.091 0 214 ASN   A O    1 ? 
ATOM   1721 C  CB   . ASN   A 1 102 ? -9.594  1.459   20.681  1.000 12.648 0 214 ASN   A CB   1 ? 
ATOM   1722 C  CG   . ASN   A 1 102 ? -8.945  2.495   19.799  1.000 11.920 0 214 ASN   A CG   1 ? 
ATOM   1723 O  OD1  . ASN   A 1 102 ? -8.048  2.204   19.001  1.000 12.400 0 214 ASN   A OD1  1 ? 
ATOM   1724 N  ND2  . ASN   A 1 102 ? -9.372  3.738   19.935  1.000 12.589 0 214 ASN   A ND2  1 ? 
ATOM   1725 H  H    . ASN   A 1 102 ? -9.400  -0.127  18.090  1.000 12.104 0 214 ASN   A H    1 c 
ATOM   1726 H  HA   . ASN   A 1 102 ? -8.476  -0.154  20.092  1.000 12.439 0 214 ASN   A HA   1 c 
ATOM   1727 H  HB2  . ASN   A 1 102 ? -10.546 1.666   20.770  1.000 12.414 0 214 ASN   A HB2  1 c 
ATOM   1728 H  HB3  . ASN   A 1 102 ? -9.192  1.503   21.571  1.000 12.418 0 214 ASN   A HB3  1 c 
ATOM   1729 H  HD21 . ASN   A 1 102 ? -9.998  3.931   20.534  1.000 12.416 0 214 ASN   A HD21 1 c 
ATOM   1730 H  HD22 . ASN   A 1 102 ? -9.031  4.380   19.428  1.000 12.448 0 214 ASN   A HD22 1 c 
ATOM   1731 N  N    . ASP   A 1 103 ? -10.242 -2.206  20.514  1.000 14.738 0 215 ASP   A N    1 ? 
ATOM   1732 C  CA   . ASP   A 1 103 ? -10.747 -3.362  21.251  1.000 15.842 0 215 ASP   A CA   1 ? 
ATOM   1733 C  C    . ASP   A 1 103 ? -12.210 -3.263  21.646  1.000 15.730 0 215 ASP   A C    1 ? 
ATOM   1734 O  O    . ASP   A 1 103 ? -12.648 -4.030  22.501  1.000 20.253 0 215 ASP   A O    1 ? 
ATOM   1735 C  CB   . ASP   A 1 103 ? -9.895  -3.753  22.432  1.000 16.433 0 215 ASP   A CB   1 ? 
ATOM   1736 C  CG   . ASP   A 1 103 ? -8.518  -4.191  22.002  1.000 19.302 0 215 ASP   A CG   1 ? 
ATOM   1737 O  OD1  . ASP   A 1 103 ? -8.444  -5.008  21.108  1.000 20.776 0 215 ASP   A OD1  1 ? 
ATOM   1738 O  OD2  . ASP   A 1 103 ? -7.545  -3.703  22.543  1.000 26.084 0 215 ASP   A OD2  1 ? 
ATOM   1739 H  H    . ASP   A 1 103 ? -9.985  -2.340  19.648  1.000 14.758 0 215 ASP   A H    1 c 
ATOM   1740 H  HA   . ASP   A 1 103 ? -10.684 -4.132  20.642  1.000 15.775 0 215 ASP   A HA   1 c 
ATOM   1741 H  HB2  . ASP   A 1 103 ? -9.813  -2.999  23.052  1.000 16.768 0 215 ASP   A HB2  1 c 
ATOM   1742 H  HB3  . ASP   A 1 103 ? -10.314 -4.499  22.911  1.000 16.606 0 215 ASP   A HB3  1 c 
ATOM   1743 N  N    . ALA   A 1 104 ? -12.979 -2.412  20.987  1.000 14.594 0 216 ALA   A N    1 ? 
ATOM   1744 C  CA   . ALA   A 1 104 ? -14.412 -2.312  21.211  1.000 15.663 0 216 ALA   A CA   1 ? 
ATOM   1745 C  C    . ALA   A 1 104 ? -15.117 -2.551  19.883  1.000 15.050 0 216 ALA   A C    1 ? 
ATOM   1746 O  O    . ALA   A 1 104 ? -14.838 -1.880  18.893  1.000 15.134 0 216 ALA   A O    1 ? 
ATOM   1747 C  CB   . ALA   A 1 104 ? -14.792 -0.942  21.741  1.000 17.586 0 216 ALA   A CB   1 ? 
ATOM   1748 H  H    . ALA   A 1 104 ? -12.602 -1.870  20.356  1.000 14.886 0 216 ALA   A H    1 c 
ATOM   1749 H  HA   . ALA   A 1 104 ? -14.693 -3.015  21.859  1.000 15.711 0 216 ALA   A HA   1 c 
ATOM   1750 H  HB1  . ALA   A 1 104 ? -14.352 -0.787  22.593  1.000 17.098 0 216 ALA   A HB1  1 c 
ATOM   1751 H  HB2  . ALA   A 1 104 ? -14.516 -0.258  21.108  1.000 17.277 0 216 ALA   A HB2  1 c 
ATOM   1752 H  HB3  . ALA   A 1 104 ? -15.756 -0.895  21.864  1.000 17.086 0 216 ALA   A HB3  1 c 
ATOM   1753 N  N    . HIS   A 1 105 ? -16.117 -3.427  19.877  1.000 15.127 0 217 HIS   A N    1 ? 
ATOM   1754 C  CA   . HIS   A 1 105 ? -16.922 -3.706  18.706  1.000 16.055 0 217 HIS   A CA   1 ? 
ATOM   1755 C  C    . HIS   A 1 105 ? -17.537 -2.410  18.184  1.000 16.105 0 217 HIS   A C    1 ? 
ATOM   1756 O  O    . HIS   A 1 105 ? -18.082 -1.636  18.980  1.000 17.310 0 217 HIS   A O    1 ? 
ATOM   1757 C  CB   . HIS   A 1 105 ? -18.028 -4.733  19.014  1.000 18.224 0 217 HIS   A CB   1 ? 
ATOM   1758 C  CG   . HIS   A 1 105 ? -18.919 -4.925  17.843  1.000 19.166 0 217 HIS   A CG   1 ? 
ATOM   1759 N  ND1  . HIS   A 1 105 ? -18.499 -5.604  16.730  1.000 22.170 0 217 HIS   A ND1  1 ? 
ATOM   1760 C  CD2  . HIS   A 1 105 ? -20.158 -4.489  17.574  1.000 19.322 0 217 HIS   A CD2  1 ? 
ATOM   1761 C  CE1  . HIS   A 1 105 ? -19.477 -5.589  15.819  1.000 21.139 0 217 HIS   A CE1  1 ? 
ATOM   1762 N  NE2  . HIS   A 1 105 ? -20.500 -4.940  16.329  1.000 19.699 0 217 HIS   A NE2  1 ? 
ATOM   1763 H  H    . HIS   A 1 105 ? -16.307 -3.877  20.650  1.000 14.957 0 217 HIS   A H    1 c 
ATOM   1764 H  HA   . HIS   A 1 105 ? -16.327 -4.074  18.007  1.000 16.137 0 217 HIS   A HA   1 c 
ATOM   1765 H  HB2  . HIS   A 1 105 ? -17.613 -5.590  19.251  1.000 17.889 0 217 HIS   A HB2  1 c 
ATOM   1766 H  HB3  . HIS   A 1 105 ? -18.557 -4.414  19.778  1.000 17.994 0 217 HIS   A HB3  1 c 
ATOM   1767 H  HD1  . HIS   A 1 105 ? -17.700 -5.952  16.626  0.000 22.379 0 217 HIS   A HD1  1 c 
ATOM   1768 H  HD2  . HIS   A 1 105 ? -20.712 -3.997  18.147  1.000 19.295 0 217 HIS   A HD2  1 c 
ATOM   1769 H  HE1  . HIS   A 1 105 ? -19.449 -6.003  14.976  1.000 21.232 0 217 HIS   A HE1  1 c 
ATOM   1770 H  HE2  . HIS   A 1 105 ? -21.266 -4.791  15.920  0.000 19.826 0 217 HIS   A HE2  1 c 
ATOM   1771 N  N    . LEU   A 1 106 ? -17.476 -2.195  16.845  1.000 14.070 0 218 LEU   A N    1 ? 
ATOM   1772 C  CA   . LEU   A 1 106 ? -18.081 -1.018  16.237  1.000 14.094 0 218 LEU   A CA   1 ? 
ATOM   1773 C  C    . LEU   A 1 106 ? -19.263 -1.375  15.336  1.000 14.698 0 218 LEU   A C    1 ? 
ATOM   1774 O  O    . LEU   A 1 106 ? -20.333 -0.807  15.468  1.000 16.514 0 218 LEU   A O    1 ? 
ATOM   1775 C  CB   . LEU   A 1 106 ? -17.015 -0.256  15.459  1.000 15.073 0 218 LEU   A CB   1 ? 
ATOM   1776 C  CG   . LEU   A 1 106 ? -17.500 1.003   14.753  1.000 14.825 0 218 LEU   A CG   1 ? 
ATOM   1777 C  CD1  . LEU   A 1 106 ? -18.067 2.045   15.693  1.000 16.611 0 218 LEU   A CD1  1 ? 
ATOM   1778 C  CD2  . LEU   A 1 106 ? -16.364 1.551   13.930  1.000 15.608 0 218 LEU   A CD2  1 ? 
ATOM   1779 H  H    . LEU   A 1 106 ? -17.046 -2.798  16.309  1.000 14.354 0 218 LEU   A H    1 c 
ATOM   1780 H  HA   . LEU   A 1 106 ? -18.419 -0.436  16.963  1.000 14.119 0 218 LEU   A HA   1 c 
ATOM   1781 H  HB2  . LEU   A 1 106 ? -16.297 -0.005  16.085  1.000 14.863 0 218 LEU   A HB2  1 c 
ATOM   1782 H  HB3  . LEU   A 1 106 ? -16.632 -0.863  14.786  1.000 14.814 0 218 LEU   A HB3  1 c 
ATOM   1783 H  HG   . LEU   A 1 106 ? -18.223 0.743   14.126  1.000 15.078 0 218 LEU   A HG   1 c 
ATOM   1784 H  HD11 . LEU   A 1 106 ? -18.846 1.685   16.149  1.000 16.083 0 218 LEU   A HD11 1 c 
ATOM   1785 H  HD12 . LEU   A 1 106 ? -18.326 2.833   15.186  1.000 16.183 0 218 LEU   A HD12 1 c 
ATOM   1786 H  HD13 . LEU   A 1 106 ? -17.394 2.291   16.350  1.000 16.254 0 218 LEU   A HD13 1 c 
ATOM   1787 H  HD21 . LEU   A 1 106 ? -16.087 0.888   13.276  1.000 15.552 0 218 LEU   A HD21 1 c 
ATOM   1788 H  HD22 . LEU   A 1 106 ? -15.615 1.764   14.512  1.000 15.472 0 218 LEU   A HD22 1 c 
ATOM   1789 H  HD23 . LEU   A 1 106 ? -16.655 2.357   13.471  1.000 15.310 0 218 LEU   A HD23 1 c 
ATOM   1790 N  N    . LEU   A 1 107 ? -19.046 -2.274  14.363  1.000 13.853 0 219 LEU   A N    1 ? 
ATOM   1791 C  CA   . LEU   A 1 107 ? -20.092 -2.542  13.384  1.000 14.342 0 219 LEU   A CA   1 ? 
ATOM   1792 C  C    . LEU   A 1 107 ? -19.835 -3.871  12.676  1.000 13.175 0 219 LEU   A C    1 ? 
ATOM   1793 O  O    . LEU   A 1 107 ? -18.738 -4.428  12.739  1.000 13.355 0 219 LEU   A O    1 ? 
ATOM   1794 C  CB   . LEU   A 1 107 ? -20.269 -1.392  12.376  1.000 15.287 0 219 LEU   A CB   1 ? 
ATOM   1795 C  CG   . LEU   A 1 107 ? -19.043 -1.073  11.521  1.000 14.922 0 219 LEU   A CG   1 ? 
ATOM   1796 C  CD1  . LEU   A 1 107 ? -18.917 -1.986  10.294  1.000 15.639 0 219 LEU   A CD1  1 ? 
ATOM   1797 C  CD2  . LEU   A 1 107 ? -19.083 0.379   11.043  1.000 16.059 0 219 LEU   A CD2  1 ? 
ATOM   1798 H  H    . LEU   A 1 107 ? -18.249 -2.718  14.306  1.000 14.074 0 219 LEU   A H    1 c 
ATOM   1799 H  HA   . LEU   A 1 107 ? -20.942 -2.641  13.884  1.000 14.254 0 219 LEU   A HA   1 c 
ATOM   1800 H  HB2  . LEU   A 1 107 ? -21.016 -1.621  11.776  1.000 15.099 0 219 LEU   A HB2  1 c 
ATOM   1801 H  HB3  . LEU   A 1 107 ? -20.523 -0.580  12.873  1.000 15.086 0 219 LEU   A HB3  1 c 
ATOM   1802 H  HG   . LEU   A 1 107 ? -18.233 -1.192  12.080  1.000 15.103 0 219 LEU   A HG   1 c 
ATOM   1803 H  HD11 . LEU   A 1 107 ? -18.790 -2.905  10.580  1.000 15.445 0 219 LEU   A HD11 1 c 
ATOM   1804 H  HD12 . LEU   A 1 107 ? -18.153 -1.708  9.761   1.000 15.413 0 219 LEU   A HD12 1 c 
ATOM   1805 H  HD13 . LEU   A 1 107 ? -19.725 -1.924  9.758   1.000 15.570 0 219 LEU   A HD13 1 c 
ATOM   1806 H  HD21 . LEU   A 1 107 ? -19.077 0.974   11.811  1.000 15.823 0 219 LEU   A HD21 1 c 
ATOM   1807 H  HD22 . LEU   A 1 107 ? -19.892 0.528   10.524  1.000 15.847 0 219 LEU   A HD22 1 c 
ATOM   1808 H  HD23 . LEU   A 1 107 ? -18.306 0.559   10.488  1.000 15.863 0 219 LEU   A HD23 1 c 
ATOM   1809 N  N    A GLN   A 1 108 ? -20.886 -4.343  12.010  0.500 14.764 0 220 GLN   A N    1 ? 
ATOM   1810 N  N    B GLN   A 1 108 ? -20.888 -4.375  12.039  0.500 14.172 0 220 GLN   A N    1 ? 
ATOM   1811 C  CA   A GLN   A 1 108 ? -20.774 -5.441  11.062  0.500 16.293 0 220 GLN   A CA   1 ? 
ATOM   1812 C  CA   B GLN   A 1 108 ? -20.749 -5.459  11.075  0.500 15.155 0 220 GLN   A CA   1 ? 
ATOM   1813 C  C    A GLN   A 1 108 ? -21.285 -4.958  9.711   0.500 14.678 0 220 GLN   A C    1 ? 
ATOM   1814 C  C    B GLN   A 1 108 ? -21.310 -5.002  9.732   0.500 14.195 0 220 GLN   A C    1 ? 
ATOM   1815 O  O    A GLN   A 1 108 ? -22.132 -4.067  9.645   0.500 16.948 0 220 GLN   A O    1 ? 
ATOM   1816 O  O    B GLN   A 1 108 ? -22.262 -4.216  9.702   0.500 14.961 0 220 GLN   A O    1 ? 
ATOM   1817 C  CB   A GLN   A 1 108 ? -21.531 -6.672  11.565  0.500 18.977 0 220 GLN   A CB   1 ? 
ATOM   1818 C  CB   B GLN   A 1 108 ? -21.515 -6.718  11.482  0.500 16.873 0 220 GLN   A CB   1 ? 
ATOM   1819 C  CG   A GLN   A 1 108 ? -21.116 -7.056  12.978  0.500 21.385 0 220 GLN   A CG   1 ? 
ATOM   1820 C  CG   B GLN   A 1 108 ? -23.006 -6.471  11.686  0.500 19.090 0 220 GLN   A CG   1 ? 
ATOM   1821 C  CD   A GLN   A 1 108 ? -21.600 -8.404  13.447  0.500 24.041 0 220 GLN   A CD   1 ? 
ATOM   1822 C  CD   B GLN   A 1 108 ? -23.835 -7.740  11.690  0.500 23.695 0 220 GLN   A CD   1 ? 
ATOM   1823 O  OE1  A GLN   A 1 108 ? -21.039 -8.985  14.386  0.500 27.753 0 220 GLN   A OE1  1 ? 
ATOM   1824 O  OE1  B GLN   A 1 108 ? -23.516 -8.700  12.387  0.500 25.828 0 220 GLN   A OE1  1 ? 
ATOM   1825 N  NE2  A GLN   A 1 108 ? -22.630 -8.915  12.791  0.500 24.332 0 220 GLN   A NE2  1 ? 
ATOM   1826 N  NE2  B GLN   A 1 108 ? -24.900 -7.766  10.897  0.500 28.265 0 220 GLN   A NE2  1 ? 
ATOM   1827 H  H    A GLN   A 1 108 ? -21.707 -3.967  12.149  0.500 14.578 0 220 GLN   A H    1 c 
ATOM   1828 H  H    B GLN   A 1 108 ? -21.720 -4.037  12.205  0.500 14.066 0 220 GLN   A H    1 c 
ATOM   1829 H  HA   A GLN   A 1 108 ? -19.819 -5.678  10.972  0.500 16.004 0 220 GLN   A HA   1 c 
ATOM   1830 H  HA   B GLN   A 1 108 ? -19.789 -5.672  10.970  0.500 15.010 0 220 GLN   A HA   1 c 
ATOM   1831 H  HB2  A GLN   A 1 108 ? -22.493 -6.486  11.550  0.500 18.774 0 220 GLN   A HB2  1 c 
ATOM   1832 H  HB2  B GLN   A 1 108 ? -21.395 -7.400  10.788  0.500 16.831 0 220 GLN   A HB2  1 c 
ATOM   1833 H  HB3  A GLN   A 1 108 ? -21.358 -7.424  10.961  0.500 18.738 0 220 GLN   A HB3  1 c 
ATOM   1834 H  HB3  B GLN   A 1 108 ? -21.132 -7.067  12.314  0.500 16.700 0 220 GLN   A HB3  1 c 
ATOM   1835 H  HG2  A GLN   A 1 108 ? -20.137 -7.047  13.034  0.500 21.243 0 220 GLN   A HG2  1 c 
ATOM   1836 H  HG2  B GLN   A 1 108 ? -23.141 -6.007  12.539  0.500 19.254 0 220 GLN   A HG2  1 c 
ATOM   1837 H  HG3  A GLN   A 1 108 ? -21.451 -6.378  13.602  0.500 21.277 0 220 GLN   A HG3  1 c 
ATOM   1838 H  HG3  B GLN   A 1 108 ? -23.333 -5.882  10.975  0.500 19.183 0 220 GLN   A HG3  1 c 
ATOM   1839 H  HE21 A GLN   A 1 108 ? -23.005 -8.458  12.130  0.500 24.229 0 220 GLN   A HE21 1 c 
ATOM   1840 H  HE21 B GLN   A 1 108 ? -25.100 -7.058  10.402  0.500 27.196 0 220 GLN   A HE21 1 c 
ATOM   1841 H  HE22 A GLN   A 1 108 ? -22.944 -9.714  13.015  0.500 24.302 0 220 GLN   A HE22 1 c 
ATOM   1842 H  HE22 B GLN   A 1 108 ? -25.409 -8.492  10.864  0.500 27.015 0 220 GLN   A HE22 1 c 
ATOM   1843 N  N    . TYR   A 1 109 ? -20.731 -5.531  8.641   1.000 12.961 0 221 TYR   A N    1 ? 
ATOM   1844 C  CA   . TYR   A 1 109 ? -21.090 -5.179  7.273   1.000 12.502 0 221 TYR   A CA   1 ? 
ATOM   1845 C  C    . TYR   A 1 109 ? -21.262 -6.484  6.484   1.000 12.094 0 221 TYR   A C    1 ? 
ATOM   1846 O  O    . TYR   A 1 109 ? -20.296 -7.183  6.270   1.000 13.199 0 221 TYR   A O    1 ? 
ATOM   1847 C  CB   . TYR   A 1 109 ? -19.996 -4.326  6.634   1.000 12.254 0 221 TYR   A CB   1 ? 
ATOM   1848 C  CG   . TYR   A 1 109 ? -20.356 -3.756  5.272   1.000 12.663 0 221 TYR   A CG   1 ? 
ATOM   1849 C  CD1  . TYR   A 1 109 ? -21.045 -2.548  5.203   1.000 12.291 0 221 TYR   A CD1  1 ? 
ATOM   1850 C  CD2  . TYR   A 1 109 ? -19.997 -4.369  4.078   1.000 12.950 0 221 TYR   A CD2  1 ? 
ATOM   1851 C  CE1  . TYR   A 1 109 ? -21.359 -1.974  3.982   1.000 12.271 0 221 TYR   A CE1  1 ? 
ATOM   1852 C  CE2  . TYR   A 1 109 ? -20.299 -3.791  2.839   1.000 13.428 0 221 TYR   A CE2  1 ? 
ATOM   1853 C  CZ   . TYR   A 1 109 ? -20.995 -2.601  2.803   1.000 12.722 0 221 TYR   A CZ   1 ? 
ATOM   1854 O  OH   . TYR   A 1 109 ? -21.285 -2.022  1.607   1.000 13.721 0 221 TYR   A OH   1 ? 
ATOM   1855 H  H    . TYR   A 1 109 ? -20.082 -6.164  8.762   1.000 13.335 0 221 TYR   A H    1 c 
ATOM   1856 H  HA   . TYR   A 1 109 ? -21.946 -4.675  7.270   1.000 12.492 0 221 TYR   A HA   1 c 
ATOM   1857 H  HB2  . TYR   A 1 109 ? -19.787 -3.583  7.242   1.000 12.221 0 221 TYR   A HB2  1 c 
ATOM   1858 H  HB3  . TYR   A 1 109 ? -19.185 -4.874  6.544   1.000 12.357 0 221 TYR   A HB3  1 c 
ATOM   1859 H  HD1  . TYR   A 1 109 ? -21.293 -2.107  6.001   1.000 12.295 0 221 TYR   A HD1  1 c 
ATOM   1860 H  HD2  . TYR   A 1 109 ? -19.516 -5.181  4.102   1.000 12.890 0 221 TYR   A HD2  1 c 
ATOM   1861 H  HE1  . TYR   A 1 109 ? -21.824 -1.155  3.952   1.000 12.267 0 221 TYR   A HE1  1 c 
ATOM   1862 H  HE2  . TYR   A 1 109 ? -20.050 -4.220  2.038   1.000 13.087 0 221 TYR   A HE2  1 c 
ATOM   1863 H  HH   . TYR   A 1 109 ? -20.641 -1.512  1.364   0.000 13.615 0 221 TYR   A HH   1 c 
ATOM   1864 N  N    . ASN   A 1 110 ? -22.493 -6.800  6.105   1.000 13.566 0 222 ASN   A N    1 ? 
ATOM   1865 C  CA   . ASN   A 1 110 ? -22.780 -8.013  5.354   1.000 14.613 0 222 ASN   A CA   1 ? 
ATOM   1866 C  C    . ASN   A 1 110 ? -22.077 -8.048  3.994   1.000 13.063 0 222 ASN   A C    1 ? 
ATOM   1867 O  O    . ASN   A 1 110 ? -21.964 -7.021  3.308   1.000 13.820 0 222 ASN   A O    1 ? 
ATOM   1868 C  CB   . ASN   A 1 110 ? -24.286 -8.137  5.143   1.000 17.003 0 222 ASN   A CB   1 ? 
ATOM   1869 C  CG   . ASN   A 1 110 ? -25.088 -8.429  6.386   1.000 21.827 0 222 ASN   A CG   1 ? 
ATOM   1870 O  OD1  . ASN   A 1 110 ? -26.304 -8.199  6.427   1.000 29.671 0 222 ASN   A OD1  1 ? 
ATOM   1871 N  ND2  . ASN   A 1 110 ? -24.442 -8.980  7.388   1.000 23.464 0 222 ASN   A ND2  1 ? 
ATOM   1872 H  H    . ASN   A 1 110 ? -23.184 -6.242  6.319   1.000 13.373 0 222 ASN   A H    1 c 
ATOM   1873 H  HA   . ASN   A 1 110 ? -22.480 -8.783  5.881   1.000 14.490 0 222 ASN   A HA   1 c 
ATOM   1874 H  HB2  . ASN   A 1 110 ? -24.615 -7.303  4.752   1.000 17.010 0 222 ASN   A HB2  1 c 
ATOM   1875 H  HB3  . ASN   A 1 110 ? -24.452 -8.849  4.495   1.000 16.843 0 222 ASN   A HB3  1 c 
ATOM   1876 H  HD21 . ASN   A 1 110 ? -23.778 -9.552  7.239   1.000 22.571 0 222 ASN   A HD21 1 c 
ATOM   1877 H  HD22 . ASN   A 1 110 ? -24.687 -8.785  8.223   1.000 22.788 0 222 ASN   A HD22 1 c 
ATOM   1878 N  N    . HIS   A 1 111 ? -21.567 -9.218  3.618   1.000 12.633 0 223 HIS   A N    1 ? 
ATOM   1879 C  CA   . HIS   A 1 111 ? -20.890 -9.369  2.327   1.000 12.713 0 223 HIS   A CA   1 ? 
ATOM   1880 C  C    . HIS   A 1 111 ? -21.881 -9.134  1.187   1.000 14.125 0 223 HIS   A C    1 ? 
ATOM   1881 O  O    . HIS   A 1 111 ? -22.766 -9.964  1.008   1.000 16.245 0 223 HIS   A O    1 ? 
ATOM   1882 C  CB   . HIS   A 1 111 ? -20.262 -10.766 2.182   1.000 12.398 0 223 HIS   A CB   1 ? 
ATOM   1883 C  CG   . HIS   A 1 111 ? -19.149 -11.034 3.146   1.000 12.178 0 223 HIS   A CG   1 ? 
ATOM   1884 N  ND1  . HIS   A 1 111 ? -18.118 -10.140 3.344   1.000 12.575 0 223 HIS   A ND1  1 ? 
ATOM   1885 C  CD2  . HIS   A 1 111 ? -18.926 -12.074 3.986   1.000 12.755 0 223 HIS   A CD2  1 ? 
ATOM   1886 C  CE1  . HIS   A 1 111 ? -17.303 -10.652 4.275   1.000 12.913 0 223 HIS   A CE1  1 ? 
ATOM   1887 N  NE2  . HIS   A 1 111 ? -17.792 -11.817 4.691   1.000 12.978 0 223 HIS   A NE2  1 ? 
ATOM   1888 H  H    . HIS   A 1 111 ? -21.640 -9.944  4.168   1.000 12.642 0 223 HIS   A H    1 c 
ATOM   1889 H  HA   . HIS   A 1 111 ? -20.176 -8.687  2.270   1.000 12.895 0 223 HIS   A HA   1 c 
ATOM   1890 H  HB2  . HIS   A 1 111 ? -20.962 -11.440 2.312   1.000 12.395 0 223 HIS   A HB2  1 c 
ATOM   1891 H  HB3  . HIS   A 1 111 ? -19.920 -10.863 1.267   1.000 12.460 0 223 HIS   A HB3  1 c 
ATOM   1892 H  HD1  . HIS   A 1 111 ? -18.030 -9.367  2.938   0.000 12.520 0 223 HIS   A HD1  1 c 
ATOM   1893 H  HD2  . HIS   A 1 111 ? -19.470 -12.830 4.086   1.000 12.621 0 223 HIS   A HD2  1 c 
ATOM   1894 H  HE1  . HIS   A 1 111 ? -16.518 -10.241 4.593   1.000 12.788 0 223 HIS   A HE1  1 c 
ATOM   1895 H  HE2  . HIS   A 1 111 ? -17.429 -12.337 5.296   0.000 13.009 0 223 HIS   A HE2  1 c 
ATOM   1896 N  N    . ARG   A 1 112 ? -21.634 -8.095  0.376   1.000 13.527 0 224 ARG   A N    1 ? 
ATOM   1897 C  CA   . ARG   A 1 112 ? -22.310 -7.820  -0.897  1.000 13.627 0 224 ARG   A CA   1 ? 
ATOM   1898 C  C    . ARG   A 1 112 ? -21.541 -8.486  -2.031  1.000 15.082 0 224 ARG   A C    1 ? 
ATOM   1899 O  O    . ARG   A 1 112 ? -22.155 -9.082  -2.917  1.000 15.640 0 224 ARG   A O    1 ? 
ATOM   1900 C  CB   . ARG   A 1 112 ? -22.433 -6.307  -1.092  1.000 13.160 0 224 ARG   A CB   1 ? 
ATOM   1901 C  CG   . ARG   A 1 112 ? -23.196 -5.653  0.056   1.000 13.722 0 224 ARG   A CG   1 ? 
ATOM   1902 C  CD   . ARG   A 1 112 ? -23.529 -4.208  -0.332  1.000 13.204 0 224 ARG   A CD   1 ? 
ATOM   1903 N  NE   . ARG   A 1 112 ? -23.965 -3.444  0.855   1.000 13.710 0 224 ARG   A NE   1 ? 
ATOM   1904 C  CZ   . ARG   A 1 112 ? -24.134 -2.128  0.831   1.000 14.179 0 224 ARG   A CZ   1 ? 
ATOM   1905 N  NH1  . ARG   A 1 112 ? -23.949 -1.448  -0.312  1.000 15.448 0 224 ARG   A NH1  1 ? 
ATOM   1906 N  NH2  . ARG   A 1 112 ? -24.465 -1.504  1.941   1.000 15.460 0 224 ARG   A NH2  1 ? 
ATOM   1907 H  H    . ARG   A 1 112 ? -20.990 -7.504  0.643   1.000 13.689 0 224 ARG   A H    1 c 
ATOM   1908 H  HA   . ARG   A 1 112 ? -23.220 -8.211  -0.860  1.000 13.713 0 224 ARG   A HA   1 c 
ATOM   1909 H  HB2  . ARG   A 1 112 ? -21.535 -5.914  -1.148  1.000 13.318 0 224 ARG   A HB2  1 c 
ATOM   1910 H  HB3  . ARG   A 1 112 ? -22.899 -6.125  -1.935  1.000 13.361 0 224 ARG   A HB3  1 c 
ATOM   1911 H  HG2  . ARG   A 1 112 ? -24.026 -6.147  0.229   1.000 13.504 0 224 ARG   A HG2  1 c 
ATOM   1912 H  HG3  . ARG   A 1 112 ? -22.644 -5.656  0.869   1.000 13.513 0 224 ARG   A HG3  1 c 
ATOM   1913 H  HD2  . ARG   A 1 112 ? -22.738 -3.783  -0.722  1.000 13.362 0 224 ARG   A HD2  1 c 
ATOM   1914 H  HD3  . ARG   A 1 112 ? -24.242 -4.205  -1.003  1.000 13.423 0 224 ARG   A HD3  1 c 
ATOM   1915 H  HE   . ARG   A 1 112 ? -24.118 -3.875  1.597   1.000 13.617 0 224 ARG   A HE   1 c 
ATOM   1916 H  HH11 . ARG   A 1 112 ? -23.767 -0.581  -0.277  1.000 15.196 0 224 ARG   A HH11 1 c 
ATOM   1917 H  HH12 . ARG   A 1 112 ? -24.013 -1.858  -1.094  1.000 15.250 0 224 ARG   A HH12 1 c 
ATOM   1918 H  HH21 . ARG   A 1 112 ? -24.536 -0.623  1.945   1.000 15.080 0 224 ARG   A HH21 1 c 
ATOM   1919 H  HH22 . ARG   A 1 112 ? -24.618 -1.965  2.679   1.000 15.058 0 224 ARG   A HH22 1 c 
ATOM   1920 N  N    . VAL   A 1 113 ? -20.218 -8.343  -2.015  1.000 13.730 0 225 VAL   A N    1 ? 
ATOM   1921 C  CA   . VAL   A 1 113 ? -19.330 -9.090  -2.897  1.000 14.395 0 225 VAL   A CA   1 ? 
ATOM   1922 C  C    . VAL   A 1 113 ? -19.090 -10.478 -2.303  1.000 15.181 0 225 VAL   A C    1 ? 
ATOM   1923 O  O    . VAL   A 1 113 ? -18.686 -10.584 -1.152  1.000 15.909 0 225 VAL   A O    1 ? 
ATOM   1924 C  CB   . VAL   A 1 113 ? -18.014 -8.332  -3.089  1.000 14.513 0 225 VAL   A CB   1 ? 
ATOM   1925 C  CG1  . VAL   A 1 113 ? -16.970 -9.155  -3.810  1.000 14.300 0 225 VAL   A CG1  1 ? 
ATOM   1926 C  CG2  . VAL   A 1 113 ? -18.257 -7.016  -3.820  1.000 14.773 0 225 VAL   A CG2  1 ? 
ATOM   1927 H  H    . VAL   A 1 113 ? -19.848 -7.747  -1.429  1.000 13.909 0 225 VAL   A H    1 c 
ATOM   1928 H  HA   . VAL   A 1 113 ? -19.764 -9.188  -3.767  1.000 14.427 0 225 VAL   A HA   1 c 
ATOM   1929 H  HB   . VAL   A 1 113 ? -17.665 -8.121  -2.192  1.000 14.408 0 225 VAL   A HB   1 c 
ATOM   1930 H  HG11 . VAL   A 1 113 ? -17.323 -9.449  -4.667  1.000 14.399 0 225 VAL   A HG11 1 c 
ATOM   1931 H  HG12 . VAL   A 1 113 ? -16.736 -9.931  -3.273  1.000 14.329 0 225 VAL   A HG12 1 c 
ATOM   1932 H  HG13 . VAL   A 1 113 ? -16.176 -8.614  -3.956  1.000 14.364 0 225 VAL   A HG13 1 c 
ATOM   1933 H  HG21 . VAL   A 1 113 ? -17.410 -6.560  -3.956  1.000 14.701 0 225 VAL   A HG21 1 c 
ATOM   1934 H  HG22 . VAL   A 1 113 ? -18.846 -6.453  -3.290  1.000 14.695 0 225 VAL   A HG22 1 c 
ATOM   1935 H  HG23 . VAL   A 1 113 ? -18.670 -7.195  -4.682  1.000 14.782 0 225 VAL   A HG23 1 c 
ATOM   1936 N  N    . LYS   A 1 114 ? -19.470 -11.511 -3.041  1.000 15.979 0 226 LYS   A N    1 ? 
ATOM   1937 C  CA   . LYS   A 1 114 ? -19.511 -12.858 -2.518  1.000 16.395 0 226 LYS   A CA   1 ? 
ATOM   1938 C  C    . LYS   A 1 114 ? -18.171 -13.562 -2.709  1.000 16.087 0 226 LYS   A C    1 ? 
ATOM   1939 O  O    . LYS   A 1 114 ? -17.862 -14.449 -1.940  1.000 19.021 0 226 LYS   A O    1 ? 
ATOM   1940 C  CB   . LYS   A 1 114 ? -20.650 -13.640 -3.182  1.000 19.075 0 226 LYS   A CB   1 ? 
ATOM   1941 C  CG   . LYS   A 1 114 ? -21.993 -12.931 -3.268  1.000 20.962 0 226 LYS   A CG   1 ? 
ATOM   1942 C  CD   . LYS   A 1 114 ? -22.563 -12.486 -1.959  1.000 22.153 0 226 LYS   A CD   1 ? 
ATOM   1943 C  CE   . LYS   A 1 114 ? -23.950 -12.034 -2.037  1.000 19.752 0 226 LYS   A CE   1 ? 
ATOM   1944 N  NZ   . LYS   A 1 114 ? -24.330 -11.715 -0.668  1.000 22.534 0 226 LYS   A NZ   1 ? 
ATOM   1945 H  H    . LYS   A 1 114 ? -19.707 -11.372 -3.912  1.000 15.958 0 226 LYS   A H    1 c 
ATOM   1946 H  HA   . LYS   A 1 114 ? -19.700 -12.809 -1.546  1.000 16.411 0 226 LYS   A HA   1 c 
ATOM   1947 H  HB2  . LYS   A 1 114 ? -20.372 -13.877 -4.092  1.000 19.029 0 226 LYS   A HB2  1 c 
ATOM   1948 H  HB3  . LYS   A 1 114 ? -20.777 -14.476 -2.688  1.000 18.833 0 226 LYS   A HB3  1 c 
ATOM   1949 H  HG2  . LYS   A 1 114 ? -21.893 -12.147 -3.851  1.000 20.871 0 226 LYS   A HG2  1 c 
ATOM   1950 H  HG3  . LYS   A 1 114 ? -22.634 -13.537 -3.699  1.000 20.750 0 226 LYS   A HG3  1 c 
ATOM   1951 H  HD2  . LYS   A 1 114 ? -22.510 -13.235 -1.328  1.000 21.441 0 226 LYS   A HD2  1 c 
ATOM   1952 H  HD3  . LYS   A 1 114 ? -22.009 -11.756 -1.605  1.000 21.400 0 226 LYS   A HD3  1 c 
ATOM   1953 H  HE2  . LYS   A 1 114 ? -24.025 -11.242 -2.599  1.000 20.428 0 226 LYS   A HE2  1 c 
ATOM   1954 H  HE3  . LYS   A 1 114 ? -24.524 -12.738 -2.389  1.000 20.588 0 226 LYS   A HE3  1 c 
ATOM   1955 H  HZ1  . LYS   A 1 114 ? -23.786 -11.073 -0.331  1.000 21.826 0 226 LYS   A HZ1  1 c 
ATOM   1956 H  HZ2  . LYS   A 1 114 ? -24.276 -12.454 -0.152  1.000 22.047 0 226 LYS   A HZ2  1 c 
ATOM   1957 H  HZ3  . LYS   A 1 114 ? -25.184 -11.411 -0.655  1.000 21.851 0 226 LYS   A HZ3  1 c 
ATOM   1958 N  N    . LYS   A 1 115 ? -17.373 -13.132 -3.688  1.000 16.425 0 227 LYS   A N    1 ? 
ATOM   1959 C  CA   . LYS   A 1 115 ? -16.125 -13.818 -3.993  1.000 16.632 0 227 LYS   A CA   1 ? 
ATOM   1960 C  C    . LYS   A 1 115 ? -15.006 -13.370 -3.057  1.000 14.575 0 227 LYS   A C    1 ? 
ATOM   1961 O  O    . LYS   A 1 115 ? -14.117 -12.610 -3.466  1.000 14.744 0 227 LYS   A O    1 ? 
ATOM   1962 C  CB   . LYS   A 1 115 ? -15.709 -13.627 -5.447  1.000 19.876 0 227 LYS   A CB   1 ? 
ATOM   1963 C  CG   . LYS   A 1 115 ? -16.512 -14.480 -6.370  1.000 23.696 0 227 LYS   A CG   1 ? 
ATOM   1964 C  CD   . LYS   A 1 115 ? -16.163 -14.281 -7.820  1.000 26.955 0 227 LYS   A CD   1 ? 
ATOM   1965 C  CE   . LYS   A 1 115 ? -17.034 -15.212 -8.590  1.000 29.644 0 227 LYS   A CE   1 ? 
ATOM   1966 N  NZ   . LYS   A 1 115 ? -17.178 -14.800 -9.982  1.000 32.314 0 227 LYS   A NZ   1 ? 
ATOM   1967 H  H    . LYS   A 1 115 ? -17.607 -12.399 -4.180  1.000 16.398 0 227 LYS   A H    1 c 
ATOM   1968 H  HA   . LYS   A 1 115 ? -16.268 -14.789 -3.853  1.000 16.485 0 227 LYS   A HA   1 c 
ATOM   1969 H  HB2  . LYS   A 1 115 ? -15.824 -12.686 -5.698  1.000 19.958 0 227 LYS   A HB2  1 c 
ATOM   1970 H  HB3  . LYS   A 1 115 ? -14.760 -13.856 -5.549  1.000 19.723 0 227 LYS   A HB3  1 c 
ATOM   1971 H  HG2  . LYS   A 1 115 ? -16.369 -15.422 -6.131  1.000 23.135 0 227 LYS   A HG2  1 c 
ATOM   1972 H  HG3  . LYS   A 1 115 ? -17.463 -14.273 -6.236  1.000 23.338 0 227 LYS   A HG3  1 c 
ATOM   1973 H  HD2  . LYS   A 1 115 ? -16.341 -13.354 -8.090  1.000 26.699 0 227 LYS   A HD2  1 c 
ATOM   1974 H  HD3  . LYS   A 1 115 ? -15.219 -14.500 -7.976  1.000 26.539 0 227 LYS   A HD3  1 c 
ATOM   1975 H  HE2  . LYS   A 1 115 ? -16.649 -16.106 -8.563  1.000 29.552 0 227 LYS   A HE2  1 c 
ATOM   1976 H  HE3  . LYS   A 1 115 ? -17.918 -15.250 -8.182  1.000 29.527 0 227 LYS   A HE3  1 c 
ATOM   1977 H  HZ1  . LYS   A 1 115 ? -16.360 -14.710 -10.361 1.000 31.572 0 227 LYS   A HZ1  1 c 
ATOM   1978 H  HZ2  . LYS   A 1 115 ? -17.614 -14.006 -10.024 1.000 31.677 0 227 LYS   A HZ2  1 c 
ATOM   1979 H  HZ3  . LYS   A 1 115 ? -17.649 -15.424 -10.439 1.000 31.829 0 227 LYS   A HZ3  1 c 
ATOM   1980 N  N    . LEU   A 1 116 ? -15.035 -13.828 -1.780  1.000 14.953 0 228 LEU   A N    1 ? 
ATOM   1981 C  CA   . LEU   A 1 116 ? -14.033 -13.414 -0.783  1.000 14.303 0 228 LEU   A CA   1 ? 
ATOM   1982 C  C    . LEU   A 1 116 ? -12.609 -13.688 -1.257  1.000 14.819 0 228 LEU   A C    1 ? 
ATOM   1983 O  O    . LEU   A 1 116 ? -11.706 -12.893 -0.983  1.000 14.259 0 228 LEU   A O    1 ? 
ATOM   1984 C  CB   . LEU   A 1 116 ? -14.233 -14.004 0.631   1.000 13.888 0 228 LEU   A CB   1 ? 
ATOM   1985 C  CG   . LEU   A 1 116 ? -15.593 -13.791 1.245   1.000 15.282 0 228 LEU   A CG   1 ? 
ATOM   1986 C  CD1  . LEU   A 1 116 ? -15.573 -14.427 2.606   1.000 15.972 0 228 LEU   A CD1  1 ? 
ATOM   1987 C  CD2  . LEU   A 1 116 ? -15.890 -12.354 1.320   1.000 16.285 0 228 LEU   A CD2  1 ? 
ATOM   1988 H  H    . LEU   A 1 116 ? -15.689 -14.415 -1.531  1.000 14.749 0 228 LEU   A H    1 c 
ATOM   1989 H  HA   . LEU   A 1 116 ? -14.109 -12.430 -0.705  1.000 14.419 0 228 LEU   A HA   1 c 
ATOM   1990 H  HB2  . LEU   A 1 116 ? -14.061 -14.973 0.585   1.000 14.075 0 228 LEU   A HB2  1 c 
ATOM   1991 H  HB3  . LEU   A 1 116 ? -13.556 -13.610 1.226   1.000 14.189 0 228 LEU   A HB3  1 c 
ATOM   1992 H  HG   . LEU   A 1 116 ? -16.276 -14.237 0.682   1.000 15.190 0 228 LEU   A HG   1 c 
ATOM   1993 H  HD11 . LEU   A 1 116 ? -15.398 -15.379 2.517   1.000 15.898 0 228 LEU   A HD11 1 c 
ATOM   1994 H  HD12 . LEU   A 1 116 ? -16.433 -14.295 3.039   1.000 15.784 0 228 LEU   A HD12 1 c 
ATOM   1995 H  HD13 . LEU   A 1 116 ? -14.874 -14.019 3.145   1.000 15.795 0 228 LEU   A HD13 1 c 
ATOM   1996 H  HD21 . LEU   A 1 116 ? -15.961 -11.986 0.424   1.000 16.104 0 228 LEU   A HD21 1 c 
ATOM   1997 H  HD22 . LEU   A 1 116 ? -15.178 -11.900 1.801   1.000 16.097 0 228 LEU   A HD22 1 c 
ATOM   1998 H  HD23 . LEU   A 1 116 ? -16.731 -12.222 1.788   1.000 15.993 0 228 LEU   A HD23 1 c 
ATOM   1999 N  N    . ASN   A 1 117 ? -12.405 -14.798 -1.965  1.000 16.647 0 229 ASN   A N    1 ? 
ATOM   2000 C  CA   . ASN   A 1 117 ? -11.058 -15.171 -2.375  1.000 18.063 0 229 ASN   A CA   1 ? 
ATOM   2001 C  C    . ASN   A 1 117 ? -10.528 -14.338 -3.552  1.000 17.540 0 229 ASN   A C    1 ? 
ATOM   2002 O  O    . ASN   A 1 117 ? -9.441  -14.630 -4.067  1.000 20.351 0 229 ASN   A O    1 ? 
ATOM   2003 C  CB   . ASN   A 1 117 ? -10.973 -16.653 -2.672  1.000 21.805 0 229 ASN   A CB   1 ? 
ATOM   2004 C  CG   . ASN   A 1 117 ? -11.816 -17.121 -3.831  1.000 26.144 0 229 ASN   A CG   1 ? 
ATOM   2005 O  OD1  . ASN   A 1 117 ? -12.607 -16.382 -4.419  1.000 29.517 0 229 ASN   A OD1  1 ? 
ATOM   2006 N  ND2  . ASN   A 1 117 ? -11.680 -18.399 -4.158  1.000 32.225 0 229 ASN   A ND2  1 ? 
ATOM   2007 H  H    . ASN   A 1 117 ? -13.107 -15.338 -2.190  1.000 16.453 0 229 ASN   A H    1 c 
ATOM   2008 H  HA   . ASN   A 1 117 ? -10.464 -15.006 -1.609  1.000 18.035 0 229 ASN   A HA   1 c 
ATOM   2009 H  HB2  . ASN   A 1 117 ? -10.040 -16.882 -2.855  1.000 21.404 0 229 ASN   A HB2  1 c 
ATOM   2010 H  HB3  . ASN   A 1 117 ? -11.245 -17.147 -1.873  1.000 21.462 0 229 ASN   A HB3  1 c 
ATOM   2011 H  HD21 . ASN   A 1 117 ? -11.122 -18.918 -3.704  1.000 30.636 0 229 ASN   A HD21 1 c 
ATOM   2012 H  HD22 . ASN   A 1 117 ? -12.149 -18.734 -4.833  1.000 30.541 0 229 ASN   A HD22 1 c 
ATOM   2013 N  N    . GLU   A 1 118 ? -11.284 -13.311 -3.966  1.000 14.986 0 230 GLU   A N    1 ? 
ATOM   2014 C  CA   . GLU   A 1 118 ? -10.875 -12.372 -5.020  1.000 13.903 0 230 GLU   A CA   1 ? 
ATOM   2015 C  C    . GLU   A 1 118 ? -10.721 -10.956 -4.479  1.000 13.530 0 230 GLU   A C    1 ? 
ATOM   2016 O  O    . GLU   A 1 118 ? -10.369 -10.049 -5.230  1.000 12.371 0 230 GLU   A O    1 ? 
ATOM   2017 C  CB   . GLU   A 1 118 ? -11.852 -12.371 -6.199  1.000 16.302 0 230 GLU   A CB   1 ? 
ATOM   2018 C  CG   . GLU   A 1 118 ? -11.795 -13.674 -6.982  1.000 17.425 0 230 GLU   A CG   1 ? 
ATOM   2019 C  CD   . GLU   A 1 118 ? -12.598 -13.705 -8.262  1.000 18.142 0 230 GLU   A CD   1 ? 
ATOM   2020 O  OE1  . GLU   A 1 118 ? -13.197 -12.686 -8.658  1.000 20.525 0 230 GLU   A OE1  1 ? 
ATOM   2021 O  OE2  . GLU   A 1 118 ? -12.669 -14.839 -8.845  1.000 22.329 0 230 GLU   A OE2  1 ? 
ATOM   2022 H  H    . GLU   A 1 118 ? -12.112 -13.204 -3.599  1.000 15.069 0 230 GLU   A H    1 c 
ATOM   2023 H  HA   . GLU   A 1 118 ? -9.992  -12.662 -5.365  1.000 14.376 0 230 GLU   A HA   1 c 
ATOM   2024 H  HB2  . GLU   A 1 118 ? -12.760 -12.229 -5.860  1.000 16.011 0 230 GLU   A HB2  1 c 
ATOM   2025 H  HB3  . GLU   A 1 118 ? -11.633 -11.625 -6.796  1.000 16.119 0 230 GLU   A HB3  1 c 
ATOM   2026 H  HG2  . GLU   A 1 118 ? -10.860 -13.868 -7.204  1.000 17.331 0 230 GLU   A HG2  1 c 
ATOM   2027 H  HG3  . GLU   A 1 118 ? -12.112 -14.402 -6.406  1.000 17.185 0 230 GLU   A HG3  1 c 
ATOM   2028 N  N    . ILE   A 1 119 ? -10.950 -10.791 -3.153  1.000 11.679 0 231 ILE   A N    1 ? 
ATOM   2029 C  CA   . ILE   A 1 119 ? -10.783 -9.491  -2.503  1.000 12.449 0 231 ILE   A CA   1 ? 
ATOM   2030 C  C    . ILE   A 1 119 ? -9.311  -9.384  -2.092  1.000 12.305 0 231 ILE   A C    1 ? 
ATOM   2031 O  O    . ILE   A 1 119 ? -8.935  -9.717  -0.976  1.000 14.321 0 231 ILE   A O    1 ? 
ATOM   2032 C  CB   . ILE   A 1 119 ? -11.761 -9.304  -1.311  1.000 12.750 0 231 ILE   A CB   1 ? 
ATOM   2033 C  CG1  . ILE   A 1 119 ? -13.223 -9.449  -1.777  1.000 12.622 0 231 ILE   A CG1  1 ? 
ATOM   2034 C  CG2  . ILE   A 1 119 ? -11.566 -7.971  -0.581  1.000 12.619 0 231 ILE   A CG2  1 ? 
ATOM   2035 C  CD1  . ILE   A 1 119 ? -14.217 -9.477  -0.624  1.000 13.644 0 231 ILE   A CD1  1 ? 
ATOM   2036 H  H    . ILE   A 1 119 ? -11.212 -11.503 -2.645  1.000 11.817 0 231 ILE   A H    1 c 
ATOM   2037 H  HA   . ILE   A 1 119 ? -10.973 -8.794  -3.159  1.000 12.527 0 231 ILE   A HA   1 c 
ATOM   2038 H  HB   . ILE   A 1 119 ? -11.584 -10.021 -0.670  1.000 12.607 0 231 ILE   A HB   1 c 
ATOM   2039 H  HG12 . ILE   A 1 119 ? -13.444 -8.701  -2.369  1.000 12.799 0 231 ILE   A HG12 1 c 
ATOM   2040 H  HG13 . ILE   A 1 119 ? -13.313 -10.278 -2.291  1.000 12.774 0 231 ILE   A HG13 1 c 
ATOM   2041 H  HG21 . ILE   A 1 119 ? -12.181 -7.913  0.168   1.000 12.680 0 231 ILE   A HG21 1 c 
ATOM   2042 H  HG22 . ILE   A 1 119 ? -11.736 -7.236  -1.194  1.000 12.686 0 231 ILE   A HG22 1 c 
ATOM   2043 H  HG23 . ILE   A 1 119 ? -10.655 -7.908  -0.249  1.000 12.611 0 231 ILE   A HG23 1 c 
ATOM   2044 H  HD11 . ILE   A 1 119 ? -13.974 -10.189 -0.002  1.000 13.447 0 231 ILE   A HD11 1 c 
ATOM   2045 H  HD12 . ILE   A 1 119 ? -15.112 -9.646  -0.974  1.000 13.397 0 231 ILE   A HD12 1 c 
ATOM   2046 H  HD13 . ILE   A 1 119 ? -14.212 -8.622  -0.154  1.000 13.437 0 231 ILE   A HD13 1 c 
ATOM   2047 N  N    . SER   A 1 120 ? -8.447  -8.969  -3.023  1.000 12.338 0 232 SER   A N    1 ? 
ATOM   2048 C  CA   . SER   A 1 120 ? -7.029  -9.263  -2.944  1.000 12.407 0 232 SER   A CA   1 ? 
ATOM   2049 C  C    . SER   A 1 120 ? -6.167  -8.047  -2.652  1.000 12.986 0 232 SER   A C    1 ? 
ATOM   2050 O  O    . SER   A 1 120 ? -4.941  -8.140  -2.669  1.000 13.335 0 232 SER   A O    1 ? 
ATOM   2051 C  CB   . SER   A 1 120 ? -6.575  -9.956  -4.220  1.000 13.953 0 232 SER   A CB   1 ? 
ATOM   2052 O  OG   . SER   A 1 120 ? -7.361  -11.113 -4.445  1.000 16.721 0 232 SER   A OG   1 ? 
ATOM   2053 H  H    . SER   A 1 120 ? -8.756  -8.483  -3.733  1.000 12.370 0 232 SER   A H    1 c 
ATOM   2054 H  HA   . SER   A 1 120 ? -6.900  -9.900  -2.200  1.000 12.580 0 232 SER   A HA   1 c 
ATOM   2055 H  HB2  . SER   A 1 120 ? -6.668  -9.344  -4.975  1.000 14.119 0 232 SER   A HB2  1 c 
ATOM   2056 H  HB3  . SER   A 1 120 ? -5.636  -10.209 -4.139  1.000 14.039 0 232 SER   A HB3  1 c 
ATOM   2057 H  HG   . SER   A 1 120 ? -7.097  -11.484 -5.156  0.000 16.681 0 232 SER   A HG   1 c 
ATOM   2058 N  N    . LYS   A 1 121 ? -6.803  -6.918  -2.296  1.000 12.133 0 233 LYS   A N    1 ? 
ATOM   2059 C  CA   . LYS   A 1 121 ? -6.034  -5.747  -1.891  1.000 13.424 0 233 LYS   A CA   1 ? 
ATOM   2060 C  C    . LYS   A 1 121 ? -6.823  -4.935  -0.869  1.000 12.555 0 233 LYS   A C    1 ? 
ATOM   2061 O  O    . LYS   A 1 121 ? -8.038  -4.865  -0.930  1.000 12.395 0 233 LYS   A O    1 ? 
ATOM   2062 C  CB   . LYS   A 1 121 ? -5.696  -4.784  -3.029  1.000 15.607 0 233 LYS   A CB   1 ? 
ATOM   2063 C  CG   . LYS   A 1 121 ? -4.802  -5.349  -4.093  1.000 19.999 0 233 LYS   A CG   1 ? 
ATOM   2064 C  CD   . LYS   A 1 121 ? -4.456  -4.310  -5.146  1.000 24.932 0 233 LYS   A CD   1 ? 
ATOM   2065 C  CE   . LYS   A 1 121 ? -3.867  -4.954  -6.340  1.000 31.463 0 233 LYS   A CE   1 ? 
ATOM   2066 N  NZ   . LYS   A 1 121 ? -4.906  -5.328  -7.312  1.000 36.680 0 233 LYS   A NZ   1 ? 
ATOM   2067 H  H    . LYS   A 1 121 ? -7.715  -6.873  -2.307  1.000 12.498 0 233 LYS   A H    1 c 
ATOM   2068 H  HA   . LYS   A 1 121 ? -5.192  -6.054  -1.469  1.000 13.368 0 233 LYS   A HA   1 c 
ATOM   2069 H  HB2  . LYS   A 1 121 ? -6.533  -4.495  -3.452  1.000 15.622 0 233 LYS   A HB2  1 c 
ATOM   2070 H  HB3  . LYS   A 1 121 ? -5.266  -3.989  -2.652  1.000 15.563 0 233 LYS   A HB3  1 c 
ATOM   2071 H  HG2  . LYS   A 1 121 ? -3.977  -5.677  -3.675  1.000 19.375 0 233 LYS   A HG2  1 c 
ATOM   2072 H  HG3  . LYS   A 1 121 ? -5.256  -6.107  -4.521  1.000 19.369 0 233 LYS   A HG3  1 c 
ATOM   2073 H  HD2  . LYS   A 1 121 ? -5.268  -3.823  -5.405  1.000 24.518 0 233 LYS   A HD2  1 c 
ATOM   2074 H  HD3  . LYS   A 1 121 ? -3.812  -3.669  -4.773  1.000 24.649 0 233 LYS   A HD3  1 c 
ATOM   2075 H  HE2  . LYS   A 1 121 ? -3.243  -4.338  -6.765  1.000 30.672 0 233 LYS   A HE2  1 c 
ATOM   2076 H  HE3  . LYS   A 1 121 ? -3.374  -5.752  -6.077  1.000 30.692 0 233 LYS   A HE3  1 c 
ATOM   2077 H  HZ1  . LYS   A 1 121 ? -5.342  -4.586  -7.598  1.000 35.331 0 233 LYS   A HZ1  1 c 
ATOM   2078 H  HZ2  . LYS   A 1 121 ? -5.500  -5.891  -6.924  1.000 35.468 0 233 LYS   A HZ2  1 c 
ATOM   2079 H  HZ3  . LYS   A 1 121 ? -4.525  -5.740  -8.023  1.000 35.449 0 233 LYS   A HZ3  1 c 
ATOM   2080 N  N    . LEU   A 1 122 ? -6.095  -4.389  0.100   1.000 12.379 0 234 LEU   A N    1 ? 
ATOM   2081 C  CA   . LEU   A 1 122 ? -6.639  -3.413  1.035   1.000 12.581 0 234 LEU   A CA   1 ? 
ATOM   2082 C  C    . LEU   A 1 122 ? -5.919  -2.083  0.886   1.000 12.928 0 234 LEU   A C    1 ? 
ATOM   2083 O  O    . LEU   A 1 122 ? -4.732  -1.968  1.177   1.000 15.676 0 234 LEU   A O    1 ? 
ATOM   2084 C  CB   . LEU   A 1 122 ? -6.503  -3.913  2.460   1.000 13.568 0 234 LEU   A CB   1 ? 
ATOM   2085 C  CG   . LEU   A 1 122 ? -6.861  -2.900  3.546   1.000 14.438 0 234 LEU   A CG   1 ? 
ATOM   2086 C  CD1  . LEU   A 1 122 ? -8.299  -2.424  3.415   1.000 14.858 0 234 LEU   A CD1  1 ? 
ATOM   2087 C  CD2  . LEU   A 1 122 ? -6.634  -3.443  4.933   1.000 16.315 0 234 LEU   A CD2  1 ? 
ATOM   2088 H  H    . LEU   A 1 122 ? -5.218  -4.633  0.187   1.000 12.273 0 234 LEU   A H    1 c 
ATOM   2089 H  HA   . LEU   A 1 122 ? -7.597  -3.284  0.829   1.000 12.793 0 234 LEU   A HA   1 c 
ATOM   2090 H  HB2  . LEU   A 1 122 ? -7.083  -4.701  2.567   1.000 13.523 0 234 LEU   A HB2  1 c 
ATOM   2091 H  HB3  . LEU   A 1 122 ? -5.572  -4.202  2.598   1.000 13.514 0 234 LEU   A HB3  1 c 
ATOM   2092 H  HG   . LEU   A 1 122 ? -6.272  -2.111  3.438   1.000 14.569 0 234 LEU   A HG   1 c 
ATOM   2093 H  HD11 . LEU   A 1 122 ? -8.417  -1.969  2.564   1.000 14.775 0 234 LEU   A HD11 1 c 
ATOM   2094 H  HD12 . LEU   A 1 122 ? -8.503  -1.809  4.139   1.000 14.719 0 234 LEU   A HD12 1 c 
ATOM   2095 H  HD13 . LEU   A 1 122 ? -8.900  -3.186  3.460   1.000 14.743 0 234 LEU   A HD13 1 c 
ATOM   2096 H  HD21 . LEU   A 1 122 ? -5.698  -3.681  5.040   1.000 15.841 0 234 LEU   A HD21 1 c 
ATOM   2097 H  HD22 . LEU   A 1 122 ? -7.186  -4.232  5.068   1.000 15.935 0 234 LEU   A HD22 1 c 
ATOM   2098 H  HD23 . LEU   A 1 122 ? -6.872  -2.767  5.590   1.000 15.957 0 234 LEU   A HD23 1 c 
ATOM   2099 N  N    . GLY   A 1 123 ? -6.660  -1.087  0.435   1.000 12.900 0 235 GLY   A N    1 ? 
ATOM   2100 C  CA   . GLY   A 1 123 ? -6.145  0.265   0.382   1.000 12.215 0 235 GLY   A CA   1 ? 
ATOM   2101 C  C    . GLY   A 1 123 ? -6.417  1.003   1.694   1.000 12.387 0 235 GLY   A C    1 ? 
ATOM   2102 O  O    . GLY   A 1 123 ? -7.509  0.902   2.246   1.000 14.135 0 235 GLY   A O    1 ? 
ATOM   2103 H  H    . GLY   A 1 123 ? -7.513  -1.246  0.147   1.000 12.724 0 235 GLY   A H    1 c 
ATOM   2104 H  HA2  . GLY   A 1 123 ? -5.176  0.240   0.207   1.000 12.442 0 235 GLY   A HA2  1 c 
ATOM   2105 H  HA3  . GLY   A 1 123 ? -6.577  0.746   -0.363  1.000 12.291 0 235 GLY   A HA3  1 c 
ATOM   2106 N  N    . ILE   A 1 124 ? -5.409  1.723   2.192   1.000 12.936 0 236 ILE   A N    1 ? 
ATOM   2107 C  CA   . ILE   A 1 124 ? -5.526  2.518   3.414   1.000 13.792 0 236 ILE   A CA   1 ? 
ATOM   2108 C  C    . ILE   A 1 124 ? -5.137  3.950   3.052   1.000 14.622 0 236 ILE   A C    1 ? 
ATOM   2109 O  O    . ILE   A 1 124 ? -4.031  4.193   2.556   1.000 15.899 0 236 ILE   A O    1 ? 
ATOM   2110 C  CB   . ILE   A 1 124 ? -4.578  1.958   4.485   1.000 14.832 0 236 ILE   A CB   1 ? 
ATOM   2111 C  CG1  . ILE   A 1 124 ? -4.833  0.488   4.723   1.000 16.158 0 236 ILE   A CG1  1 ? 
ATOM   2112 C  CG2  . ILE   A 1 124 ? -4.652  2.780   5.769   1.000 15.415 0 236 ILE   A CG2  1 ? 
ATOM   2113 C  CD1  . ILE   A 1 124 ? -3.753  -0.198  5.524   1.000 18.572 0 236 ILE   A CD1  1 ? 
ATOM   2114 H  H    . ILE   A 1 124 ? -4.609  1.722   1.751   1.000 12.909 0 236 ILE   A H    1 c 
ATOM   2115 H  HA   . ILE   A 1 124 ? -6.446  2.493   3.741   1.000 13.901 0 236 ILE   A HA   1 c 
ATOM   2116 H  HB   . ILE   A 1 124 ? -3.667  2.040   4.137   1.000 14.833 0 236 ILE   A HB   1 c 
ATOM   2117 H  HG12 . ILE   A 1 124 ? -5.684  0.389   5.195   1.000 16.311 0 236 ILE   A HG12 1 c 
ATOM   2118 H  HG13 . ILE   A 1 124 ? -4.914  0.035   3.859   1.000 16.272 0 236 ILE   A HG13 1 c 
ATOM   2119 H  HG21 . ILE   A 1 124 ? -4.048  2.407   6.432   1.000 15.315 0 236 ILE   A HG21 1 c 
ATOM   2120 H  HG22 . ILE   A 1 124 ? -5.560  2.762   6.114   1.000 15.335 0 236 ILE   A HG22 1 c 
ATOM   2121 H  HG23 . ILE   A 1 124 ? -4.396  3.699   5.585   1.000 15.263 0 236 ILE   A HG23 1 c 
ATOM   2122 H  HD11 . ILE   A 1 124 ? -2.895  -0.088  5.073   1.000 17.988 0 236 ILE   A HD11 1 c 
ATOM   2123 H  HD12 . ILE   A 1 124 ? -3.959  -1.149  5.599   1.000 18.024 0 236 ILE   A HD12 1 c 
ATOM   2124 H  HD13 . ILE   A 1 124 ? -3.701  0.193   6.417   1.000 17.972 0 236 ILE   A HD13 1 c 
ATOM   2125 N  N    . SER   A 1 125 ? -6.040  4.898   3.319   1.000 14.186 0 237 SER   A N    1 ? 
ATOM   2126 C  CA   . SER   A 1 125 ? -5.816  6.280   2.935   1.000 14.743 0 237 SER   A CA   1 ? 
ATOM   2127 C  C    . SER   A 1 125 ? -6.447  7.231   3.948   1.000 14.759 0 237 SER   A C    1 ? 
ATOM   2128 O  O    . SER   A 1 125 ? -7.214  6.822   4.825   1.000 14.851 0 237 SER   A O    1 ? 
ATOM   2129 C  CB   . SER   A 1 125 ? -6.319  6.528   1.504   1.000 17.498 0 237 SER   A CB   1 ? 
ATOM   2130 O  OG   . SER   A 1 125 ? -7.719  6.315   1.405   1.000 19.653 0 237 SER   A OG   1 ? 
ATOM   2131 H  H    . SER   A 1 125 ? -6.815  4.678   3.750   1.000 14.389 0 237 SER   A H    1 c 
ATOM   2132 H  HA   . SER   A 1 125 ? -4.839  6.442   2.945   1.000 14.986 0 237 SER   A HA   1 c 
ATOM   2133 H  HB2  . SER   A 1 125 ? -6.113  7.446   1.245   1.000 17.246 0 237 SER   A HB2  1 c 
ATOM   2134 H  HB3  . SER   A 1 125 ? -5.856  5.926   0.891   1.000 17.223 0 237 SER   A HB3  1 c 
ATOM   2135 H  HG   . SER   A 1 125 ? -7.958  6.469   0.607   0.000 19.797 0 237 SER   A HG   1 c 
ATOM   2136 N  N    . GLY   A 1 126 ? -6.094  8.494   3.785   1.000 16.127 0 238 GLY   A N    1 ? 
ATOM   2137 C  CA   . GLY   A 1 126 ? -6.695  9.561   4.564   1.000 15.619 0 238 GLY   A CA   1 ? 
ATOM   2138 C  C    . GLY   A 1 126 ? -5.745  10.116  5.612   1.000 14.777 0 238 GLY   A C    1 ? 
ATOM   2139 O  O    . GLY   A 1 126 ? -4.530  10.007  5.487   1.000 15.183 0 238 GLY   A O    1 ? 
ATOM   2140 H  H    . GLY   A 1 126 ? -5.453  8.706   3.168   1.000 15.767 0 238 GLY   A H    1 c 
ATOM   2141 H  HA2  . GLY   A 1 126 ? -6.966  10.287  3.956   1.000 15.732 0 238 GLY   A HA2  1 c 
ATOM   2142 H  HA3  . GLY   A 1 126 ? -7.509  9.221   5.005   1.000 15.557 0 238 GLY   A HA3  1 c 
ATOM   2143 N  N    . ASP   A 1 127 ? -6.369  10.754  6.610   1.000 14.403 0 239 ASP   A N    1 ? 
ATOM   2144 C  CA   . ASP   A 1 127 ? -5.669  11.669  7.491   1.000 15.596 0 239 ASP   A CA   1 ? 
ATOM   2145 C  C    . ASP   A 1 127 ? -5.109  10.932  8.694   1.000 15.188 0 239 ASP   A C    1 ? 
ATOM   2146 O  O    . ASP   A 1 127 ? -5.465  11.209  9.849   1.000 16.654 0 239 ASP   A O    1 ? 
ATOM   2147 C  CB   . ASP   A 1 127 ? -6.560  12.844  7.845   1.000 18.047 0 239 ASP   A CB   1 ? 
ATOM   2148 C  CG   . ASP   A 1 127 ? -7.038  13.632  6.633   1.000 18.419 0 239 ASP   A CG   1 ? 
ATOM   2149 O  OD1  . ASP   A 1 127 ? -6.257  13.716  5.652   1.000 23.044 0 239 ASP   A OD1  1 ? 
ATOM   2150 O  OD2  . ASP   A 1 127 ? -8.196  14.084  6.632   1.000 20.341 0 239 ASP   A OD2  1 ? 
ATOM   2151 H  H    . ASP   A 1 127 ? -7.261  10.610  6.746   1.000 14.702 0 239 ASP   A H    1 c 
ATOM   2152 H  HA   . ASP   A 1 127 ? -4.909  12.045  6.992   1.000 15.598 0 239 ASP   A HA   1 c 
ATOM   2153 H  HB2  . ASP   A 1 127 ? -7.345  12.514  8.330   1.000 17.652 0 239 ASP   A HB2  1 c 
ATOM   2154 H  HB3  . ASP   A 1 127 ? -6.069  13.451  8.438   1.000 17.625 0 239 ASP   A HB3  1 c 
ATOM   2155 N  N    . ILE   A 1 128 ? -4.148  10.059  8.416   1.000 14.422 0 240 ILE   A N    1 ? 
ATOM   2156 C  CA   . ILE   A 1 128 ? -3.488  9.246   9.419   1.000 14.322 0 240 ILE   A CA   1 ? 
ATOM   2157 C  C    . ILE   A 1 128 ? -1.994  9.190   9.179   1.000 14.538 0 240 ILE   A C    1 ? 
ATOM   2158 O  O    . ILE   A 1 128 ? -1.536  9.308   8.025   1.000 16.207 0 240 ILE   A O    1 ? 
ATOM   2159 C  CB   . ILE   A 1 128 ? -4.079  7.829   9.438   1.000 15.126 0 240 ILE   A CB   1 ? 
ATOM   2160 C  CG1  . ILE   A 1 128 ? -3.789  7.032   8.190   1.000 16.156 0 240 ILE   A CG1  1 ? 
ATOM   2161 C  CG2  . ILE   A 1 128 ? -5.580  7.874   9.777   1.000 16.635 0 240 ILE   A CG2  1 ? 
ATOM   2162 C  CD1  . ILE   A 1 128 ? -4.108  5.559   8.374   1.000 16.909 0 240 ILE   A CD1  1 ? 
ATOM   2163 H  H    . ILE   A 1 128 ? -3.882  9.969   7.547   1.000 14.440 0 240 ILE   A H    1 c 
ATOM   2164 H  HA   . ILE   A 1 128 ? -3.644  9.653   10.292  1.000 14.386 0 240 ILE   A HA   1 c 
ATOM   2165 H  HB   . ILE   A 1 128 ? -3.640  7.356   10.173  1.000 15.308 0 240 ILE   A HB   1 c 
ATOM   2166 H  HG12 . ILE   A 1 128 ? -4.323  7.388   7.450   1.000 16.088 0 240 ILE   A HG12 1 c 
ATOM   2167 H  HG13 . ILE   A 1 128 ? -2.843  7.126   7.956   1.000 16.077 0 240 ILE   A HG13 1 c 
ATOM   2168 H  HG21 . ILE   A 1 128 ? -5.924  6.970   9.867   1.000 16.248 0 240 ILE   A HG21 1 c 
ATOM   2169 H  HG22 . ILE   A 1 128 ? -6.061  8.331   9.069   1.000 16.321 0 240 ILE   A HG22 1 c 
ATOM   2170 H  HG23 . ILE   A 1 128 ? -5.710  8.350   10.615  1.000 16.424 0 240 ILE   A HG23 1 c 
ATOM   2171 H  HD11 . ILE   A 1 128 ? -3.600  5.207   9.129   1.000 16.800 0 240 ILE   A HD11 1 c 
ATOM   2172 H  HD12 . ILE   A 1 128 ? -3.861  5.072   7.564   1.000 16.704 0 240 ILE   A HD12 1 c 
ATOM   2173 H  HD13 . ILE   A 1 128 ? -5.061  5.440   8.542   1.000 16.707 0 240 ILE   A HD13 1 c 
ATOM   2174 N  N    . ASP   A 1 129 ? -1.275  8.888   10.261  1.000 14.422 0 241 ASP   A N    1 ? 
ATOM   2175 C  CA   . ASP   A 1 129 ? 0.076   8.366   10.239  1.000 15.402 0 241 ASP   A CA   1 ? 
ATOM   2176 C  C    . ASP   A 1 129 ? -0.051  6.855   10.424  1.000 14.862 0 241 ASP   A C    1 ? 
ATOM   2177 O  O    . ASP   A 1 129 ? -0.573  6.417   11.418  1.000 17.788 0 241 ASP   A O    1 ? 
ATOM   2178 C  CB   . ASP   A 1 129 ? 0.883   9.022   11.352  1.000 19.573 0 241 ASP   A CB   1 ? 
ATOM   2179 C  CG   . ASP   A 1 129 ? 1.066   10.526  11.180  1.000 26.586 0 241 ASP   A CG   1 ? 
ATOM   2180 O  OD1  . ASP   A 1 129 ? 1.203   10.980  10.016  1.000 32.544 0 241 ASP   A OD1  1 ? 
ATOM   2181 O  OD2  . ASP   A 1 129 ? 1.046   11.233  12.200  1.000 36.226 0 241 ASP   A OD2  1 ? 
ATOM   2182 H  H    . ASP   A 1 129 ? -1.664  9.021   11.078  1.000 14.723 0 241 ASP   A H    1 c 
ATOM   2183 H  HA   . ASP   A 1 129 ? 0.483   8.559   9.365   1.000 15.427 0 241 ASP   A HA   1 c 
ATOM   2184 H  HB2  . ASP   A 1 129 ? 0.435   8.860   12.209  1.000 19.475 0 241 ASP   A HB2  1 c 
ATOM   2185 H  HB3  . ASP   A 1 129 ? 1.769   8.606   11.391  1.000 19.312 0 241 ASP   A HB3  1 c 
ATOM   2186 N  N    . LEU   A 1 130 ? 0.340   6.063   9.437   1.000 13.736 0 242 LEU   A N    1 ? 
ATOM   2187 C  CA   . LEU   A 1 130 ? 0.179   4.614   9.482   1.000 13.184 0 242 LEU   A CA   1 ? 
ATOM   2188 C  C    . LEU   A 1 130 ? 1.410   3.967   10.109  1.000 14.223 0 242 LEU   A C    1 ? 
ATOM   2189 O  O    . LEU   A 1 130 ? 2.531   4.150   9.607   1.000 16.168 0 242 LEU   A O    1 ? 
ATOM   2190 C  CB   . LEU   A 1 130 ? -0.055  4.107   8.060   1.000 13.042 0 242 LEU   A CB   1 ? 
ATOM   2191 C  CG   . LEU   A 1 130 ? -0.230  2.588   7.881   1.000 13.941 0 242 LEU   A CG   1 ? 
ATOM   2192 C  CD1  . LEU   A 1 130 ? -1.460  2.115   8.612   1.000 14.605 0 242 LEU   A CD1  1 ? 
ATOM   2193 C  CD2  . LEU   A 1 130 ? -0.303  2.152   6.401   1.000 14.646 0 242 LEU   A CD2  1 ? 
ATOM   2194 H  H    . LEU   A 1 130 ? 0.727   6.436   8.698   1.000 13.820 0 242 LEU   A H    1 c 
ATOM   2195 H  HA   . LEU   A 1 130 ? -0.614  4.403   10.037  1.000 13.338 0 242 LEU   A HA   1 c 
ATOM   2196 H  HB2  . LEU   A 1 130 ? -0.859  4.553   7.706   1.000 13.207 0 242 LEU   A HB2  1 c 
ATOM   2197 H  HB3  . LEU   A 1 130 ? 0.705   4.396   7.505   1.000 13.200 0 242 LEU   A HB3  1 c 
ATOM   2198 H  HG   . LEU   A 1 130 ? 0.555   2.138   8.288   1.000 14.023 0 242 LEU   A HG   1 c 
ATOM   2199 H  HD11 . LEU   A 1 130 ? -1.364  2.291   9.561   1.000 14.562 0 242 LEU   A HD11 1 c 
ATOM   2200 H  HD12 . LEU   A 1 130 ? -1.574  1.160   8.471   1.000 14.448 0 242 LEU   A HD12 1 c 
ATOM   2201 H  HD13 . LEU   A 1 130 ? -2.241  2.585   8.273   1.000 14.413 0 242 LEU   A HD13 1 c 
ATOM   2202 H  HD21 . LEU   A 1 130 ? 0.512   2.415   5.943   1.000 14.487 0 242 LEU   A HD21 1 c 
ATOM   2203 H  HD22 . LEU   A 1 130 ? -1.065  2.579   5.974   1.000 14.487 0 242 LEU   A HD22 1 c 
ATOM   2204 H  HD23 . LEU   A 1 130 ? -0.404  1.186   6.351   1.000 14.508 0 242 LEU   A HD23 1 c 
ATOM   2205 N  N    . THR   A 1 131 ? 1.191   3.190   11.188  1.000 14.744 0 243 THR   A N    1 ? 
ATOM   2206 C  CA   . THR   A 1 131 ? 2.251   2.474   11.880  1.000 16.047 0 243 THR   A CA   1 ? 
ATOM   2207 C  C    . THR   A 1 131 ? 2.438   1.075   11.293  1.000 16.681 0 243 THR   A C    1 ? 
ATOM   2208 O  O    . THR   A 1 131 ? 3.571   0.671   10.972  1.000 17.978 0 243 THR   A O    1 ? 
ATOM   2209 C  CB   . THR   A 1 131 ? 1.937   2.439   13.377  1.000 17.990 0 243 THR   A CB   1 ? 
ATOM   2210 O  OG1  . THR   A 1 131 ? 1.897   3.814   13.756  1.000 19.951 0 243 THR   A OG1  1 ? 
ATOM   2211 C  CG2  . THR   A 1 131 ? 3.068   1.759   14.115  1.000 20.339 0 243 THR   A CG2  1 ? 
ATOM   2212 H  H    . THR   A 1 131 ? 0.336   3.106   11.501  1.000 14.692 0 243 THR   A H    1 c 
ATOM   2213 H  HA   . THR   A 1 131 ? 3.087   2.974   11.758  1.000 16.057 0 243 THR   A HA   1 c 
ATOM   2214 H  HB   . THR   A 1 131 ? 1.071   2.002   13.557  1.000 18.217 0 243 THR   A HB   1 c 
ATOM   2215 H  HG1  . THR   A 1 131 ? 2.659   4.184   13.595  0.000 19.950 0 243 THR   A HG1  1 c 
ATOM   2216 H  HG21 . THR   A 1 131 ? 2.891   1.784   15.071  1.000 19.779 0 243 THR   A HG21 1 c 
ATOM   2217 H  HG22 . THR   A 1 131 ? 3.902   2.222   13.928  1.000 19.778 0 243 THR   A HG22 1 c 
ATOM   2218 H  HG23 . THR   A 1 131 ? 3.139   0.834   13.825  1.000 19.856 0 243 THR   A HG23 1 c 
ATOM   2219 N  N    . SER   A 1 132 ? 1.332   0.344   11.126  1.000 15.525 0 244 SER   A N    1 ? 
ATOM   2220 C  CA   . SER   A 1 132 ? 1.461   -0.978  10.539  1.000 16.333 0 244 SER   A CA   1 ? 
ATOM   2221 C  C    . SER   A 1 132 ? 0.125   -1.481  10.028  1.000 15.014 0 244 SER   A C    1 ? 
ATOM   2222 O  O    . SER   A 1 132 ? -0.931  -1.061  10.458  1.000 14.172 0 244 SER   A O    1 ? 
ATOM   2223 C  CB   . SER   A 1 132 ? 2.081   -1.951  11.469  1.000 19.410 0 244 SER   A CB   1 ? 
ATOM   2224 O  OG   . SER   A 1 132 ? 1.211   -2.140  12.558  1.000 19.926 0 244 SER   A OG   1 ? 
ATOM   2225 H  H    . SER   A 1 132 ? 0.510   0.658   11.376  1.000 15.763 0 244 SER   A H    1 c 
ATOM   2226 H  HA   . SER   A 1 132 ? 2.062   -0.894  9.755   1.000 16.348 0 244 SER   A HA   1 c 
ATOM   2227 H  HB2  . SER   A 1 132 ? 2.225   -2.800  11.009  1.000 18.773 0 244 SER   A HB2  1 c 
ATOM   2228 H  HB3  . SER   A 1 132 ? 2.939   -1.613  11.784  1.000 18.658 0 244 SER   A HB3  1 c 
ATOM   2229 H  HG   . SER   A 1 132 ? 1.557   -2.690  13.097  0.000 19.995 0 244 SER   A HG   1 c 
ATOM   2230 N  N    . ALA   A 1 133 ? 0.216   -2.426  9.094   1.000 14.682 0 245 ALA   A N    1 ? 
ATOM   2231 C  CA   . ALA   A 1 133 ? -0.954  -3.085  8.537   1.000 13.654 0 245 ALA   A CA   1 ? 
ATOM   2232 C  C    . ALA   A 1 133 ? -0.585  -4.546  8.323   1.000 14.819 0 245 ALA   A C    1 ? 
ATOM   2233 O  O    . ALA   A 1 133 ? 0.355   -4.828  7.613   1.000 18.790 0 245 ALA   A O    1 ? 
ATOM   2234 C  CB   . ALA   A 1 133 ? -1.383  -2.436  7.232   1.000 15.929 0 245 ALA   A CB   1 ? 
ATOM   2235 H  H    . ALA   A 1 133 ? 1.042   -2.670  8.790   1.000 14.482 0 245 ALA   A H    1 c 
ATOM   2236 H  HA   . ALA   A 1 133 ? -1.698  -3.035  9.197   1.000 14.202 0 245 ALA   A HA   1 c 
ATOM   2237 H  HB1  . ALA   A 1 133 ? -1.605  -1.503  7.389   1.000 15.387 0 245 ALA   A HB1  1 c 
ATOM   2238 H  HB2  . ALA   A 1 133 ? -0.658  -2.489  6.586   1.000 15.450 0 245 ALA   A HB2  1 c 
ATOM   2239 H  HB3  . ALA   A 1 133 ? -2.162  -2.897  6.878   1.000 15.418 0 245 ALA   A HB3  1 c 
ATOM   2240 N  N    . SER   A 1 134 ? -1.308  -5.462  8.959   1.000 14.919 0 246 SER   A N    1 ? 
ATOM   2241 C  CA   . SER   A 1 134 ? -0.951  -6.877  8.895   1.000 15.948 0 246 SER   A CA   1 ? 
ATOM   2242 C  C    . SER   A 1 134 ? -2.199  -7.708  9.141   1.000 17.132 0 246 SER   A C    1 ? 
ATOM   2243 O  O    . SER   A 1 134 ? -3.254  -7.172  9.488   1.000 17.206 0 246 SER   A O    1 ? 
ATOM   2244 C  CB   . SER   A 1 134 ? 0.118   -7.219  9.937   1.000 18.962 0 246 SER   A CB   1 ? 
ATOM   2245 O  OG   . SER   A 1 134 ? -0.361  -6.944  11.252  1.000 21.466 0 246 SER   A OG   1 ? 
ATOM   2246 H  H    . SER   A 1 134 ? -2.040  -5.209  9.444   1.000 14.974 0 246 SER   A H    1 c 
ATOM   2247 H  HA   . SER   A 1 134 ? -0.603  -7.083  7.990   1.000 16.218 0 246 SER   A HA   1 c 
ATOM   2248 H  HB2  . SER   A 1 134 ? 0.353   -8.163  9.865   1.000 18.609 0 246 SER   A HB2  1 c 
ATOM   2249 H  HB3  . SER   A 1 134 ? 0.919   -6.689  9.764   1.000 18.540 0 246 SER   A HB3  1 c 
ATOM   2250 H  HG   . SER   A 1 134 ? 0.251   -7.144  11.808  0.000 21.503 0 246 SER   A HG   1 c 
ATOM   2251 N  N    . TYR   A 1 135 ? -2.056  -9.029  9.005   1.000 16.766 0 247 TYR   A N    1 ? 
ATOM   2252 C  CA   . TYR   A 1 135 ? -3.160  -9.915  9.310   1.000 17.888 0 247 TYR   A CA   1 ? 
ATOM   2253 C  C    . TYR   A 1 135 ? -2.641  -11.240 9.845   1.000 18.157 0 247 TYR   A C    1 ? 
ATOM   2254 O  O    . TYR   A 1 135 ? -1.465  -11.581 9.707   1.000 20.861 0 247 TYR   A O    1 ? 
ATOM   2255 C  CB   . TYR   A 1 135 ? -4.056  -10.109 8.086   1.000 20.591 0 247 TYR   A CB   1 ? 
ATOM   2256 C  CG   . TYR   A 1 135 ? -3.307  -10.596 6.856   1.000 21.256 0 247 TYR   A CG   1 ? 
ATOM   2257 C  CD1  . TYR   A 1 135 ? -3.012  -11.946 6.675   1.000 24.690 0 247 TYR   A CD1  1 ? 
ATOM   2258 C  CD2  . TYR   A 1 135 ? -2.860  -9.702  5.896   1.000 22.405 0 247 TYR   A CD2  1 ? 
ATOM   2259 C  CE1  . TYR   A 1 135 ? -2.309  -12.362 5.563   1.000 25.073 0 247 TYR   A CE1  1 ? 
ATOM   2260 C  CE2  . TYR   A 1 135 ? -2.179  -10.110 4.768   1.000 25.456 0 247 TYR   A CE2  1 ? 
ATOM   2261 C  CZ   . TYR   A 1 135 ? -1.871  -11.448 4.619   1.000 26.077 0 247 TYR   A CZ   1 ? 
ATOM   2262 O  OH   . TYR   A 1 135 ? -1.198  -11.957 3.543   1.000 33.151 0 247 TYR   A OH   1 ? 
ATOM   2263 H  H    . TYR   A 1 135 ? -1.265  -9.381  8.712   1.000 16.846 0 247 TYR   A H    1 c 
ATOM   2264 H  HA   . TYR   A 1 135 ? -3.703  -9.490  10.022  1.000 18.000 0 247 TYR   A HA   1 c 
ATOM   2265 H  HB2  . TYR   A 1 135 ? -4.758  -10.759 8.311   1.000 20.030 0 247 TYR   A HB2  1 c 
ATOM   2266 H  HB3  . TYR   A 1 135 ? -4.491  -9.253  7.877   1.000 20.062 0 247 TYR   A HB3  1 c 
ATOM   2267 H  HD1  . TYR   A 1 135 ? -3.286  -12.578 7.320   1.000 23.801 0 247 TYR   A HD1  1 c 
ATOM   2268 H  HD2  . TYR   A 1 135 ? -3.054  -8.785  6.003   1.000 22.466 0 247 TYR   A HD2  1 c 
ATOM   2269 H  HE1  . TYR   A 1 135 ? -2.113  -13.276 5.450   1.000 24.831 0 247 TYR   A HE1  1 c 
ATOM   2270 H  HE2  . TYR   A 1 135 ? -1.884  -9.480  4.133   1.000 24.813 0 247 TYR   A HE2  1 c 
ATOM   2271 H  HH   . TYR   A 1 135 ? -1.736  -12.156 2.914   0.000 33.630 0 247 TYR   A HH   1 c 
ATOM   2272 N  N    . THR   A 1 136 ? -3.567  -11.940 10.490  1.000 18.710 0 248 THR   A N    1 ? 
ATOM   2273 C  CA   . THR   A 1 136 ? -3.308  -13.281 10.980  1.000 19.612 0 248 THR   A CA   1 ? 
ATOM   2274 C  C    . THR   A 1 136 ? -4.603  -14.075 10.937  1.000 17.464 0 248 THR   A C    1 ? 
ATOM   2275 O  O    . THR   A 1 136 ? -5.654  -13.518 10.686  1.000 20.393 0 248 THR   A O    1 ? 
ATOM   2276 C  CB   . THR   A 1 136 ? -2.755  -13.182 12.400  1.000 23.155 0 248 THR   A CB   1 ? 
ATOM   2277 O  OG1  . THR   A 1 136 ? -2.335  -14.514 12.697  1.000 28.457 0 248 THR   A OG1  1 ? 
ATOM   2278 C  CG2  . THR   A 1 136 ? -3.806  -12.681 13.375  1.000 22.661 0 248 THR   A CG2  1 ? 
ATOM   2279 H  H    . THR   A 1 136 ? -4.391  -11.571 10.632  1.000 18.668 0 248 THR   A H    1 c 
ATOM   2280 H  HA   . THR   A 1 136 ? -2.643  -13.714 10.402  1.000 19.659 0 248 THR   A HA   1 c 
ATOM   2281 H  HB   . THR   A 1 136 ? -1.975  -12.578 12.416  1.000 23.099 0 248 THR   A HB   1 c 
ATOM   2282 H  HG1  . THR   A 1 136 ? -3.016  -15.051 12.648  0.000 28.674 0 248 THR   A HG1  1 c 
ATOM   2283 H  HG21 . THR   A 1 136 ? -3.408  -12.584 14.257  1.000 22.607 0 248 THR   A HG21 1 c 
ATOM   2284 H  HG22 . THR   A 1 136 ? -4.539  -13.316 13.422  1.000 22.708 0 248 THR   A HG22 1 c 
ATOM   2285 H  HG23 . THR   A 1 136 ? -4.142  -11.820 13.077  1.000 22.846 0 248 THR   A HG23 1 c 
ATOM   2286 N  N    . MET   A 1 137 ? -4.515  -15.395 11.135  1.000 19.325 0 249 MET   A N    1 ? 
ATOM   2287 C  CA   . MET   A 1 137 ? -5.710  -16.211 11.272  1.000 20.439 0 249 MET   A CA   1 ? 
ATOM   2288 C  C    . MET   A 1 137 ? -5.973  -16.487 12.751  1.000 22.617 0 249 MET   A C    1 ? 
ATOM   2289 O  O    . MET   A 1 137 ? -5.066  -16.918 13.451  1.000 26.716 0 249 MET   A O    1 ? 
ATOM   2290 C  CB   . MET   A 1 137 ? -5.526  -17.537 10.527  1.000 21.795 0 249 MET   A CB   1 ? 
ATOM   2291 C  CG   . MET   A 1 137 ? -5.234  -17.398 9.051   1.000 25.270 0 249 MET   A CG   1 ? 
ATOM   2292 S  SD   . MET   A 1 137 ? -6.541  -16.579 8.123   1.000 26.983 0 249 MET   A SD   1 ? 
ATOM   2293 C  CE   . MET   A 1 137 ? -5.767  -16.354 6.518   1.000 27.470 0 249 MET   A CE   1 ? 
ATOM   2294 H  H    . MET   A 1 137 ? -3.694  -15.795 11.186  1.000 19.068 0 249 MET   A H    1 c 
ATOM   2295 H  HA   . MET   A 1 137 ? -6.479  -15.719 10.892  1.000 20.699 0 249 MET   A HA   1 c 
ATOM   2296 H  HB2  . MET   A 1 137 ? -4.789  -18.030 10.949  1.000 22.045 0 249 MET   A HB2  1 c 
ATOM   2297 H  HB3  . MET   A 1 137 ? -6.341  -18.071 10.638  1.000 21.982 0 249 MET   A HB3  1 c 
ATOM   2298 H  HG2  . MET   A 1 137 ? -4.407  -16.892 8.936   1.000 24.642 0 249 MET   A HG2  1 c 
ATOM   2299 H  HG3  . MET   A 1 137 ? -5.094  -18.287 8.669   1.000 24.735 0 249 MET   A HG3  1 c 
ATOM   2300 H  HE1  . MET   A 1 137 ? -6.392  -15.909 5.916   1.000 27.472 0 249 MET   A HE1  1 c 
ATOM   2301 H  HE2  . MET   A 1 137 ? -4.966  -15.808 6.617   1.000 27.398 0 249 MET   A HE2  1 c 
ATOM   2302 H  HE3  . MET   A 1 137 ? -5.524  -17.224 6.150   1.000 27.570 0 249 MET   A HE3  1 c 
ATOM   2303 N  N    . ILE   A 1 138 ? -7.218  -16.290 13.206  1.000 21.901 0 250 ILE   A N    1 ? 
ATOM   2304 C  CA   . ILE   A 1 138 ? -7.548  -16.536 14.601  1.000 25.150 0 250 ILE   A CA   1 ? 
ATOM   2305 C  C    . ILE   A 1 138 ? -7.939  -18.015 14.824  1.000 27.090 0 250 ILE   A C    1 ? 
ATOM   2306 O  O    . ILE   A 1 138 ? -7.851  -18.429 15.986  1.000 30.745 0 250 ILE   A O    1 ? 
ATOM   2307 C  CB   . ILE   A 1 138 ? -8.656  -15.590 15.105  1.000 28.503 0 250 ILE   A CB   1 ? 
ATOM   2308 C  CG1  . ILE   A 1 138 ? -10.024 -15.894 14.483  1.000 29.210 0 250 ILE   A CG1  1 ? 
ATOM   2309 C  CG2  . ILE   A 1 138 ? -8.248  -14.133 14.911  1.000 30.152 0 250 ILE   A CG2  1 ? 
ATOM   2310 C  CD1  . ILE   A 1 138 ? -11.218 -15.400 15.262  1.000 31.949 0 250 ILE   A CD1  1 ? 
ATOM   2311 O  OXT  . ILE   A 1 138 ? -8.397  -18.680 13.846  1.000 29.071 0 250 ILE   A OXT  1 ? 
ATOM   2312 H  H    . ILE   A 1 138 ? -7.871  -15.998 12.638  1.000 22.597 0 250 ILE   A H    1 c 
ATOM   2313 H  HA   . ILE   A 1 138 ? -6.748  -16.357 15.133  1.000 25.066 0 250 ILE   A HA   1 c 
ATOM   2314 H  HB   . ILE   A 1 138 ? -8.743  -15.740 16.067  1.000 28.171 0 250 ILE   A HB   1 c 
ATOM   2315 H  HG12 . ILE   A 1 138 ? -10.052 -15.492 13.591  1.000 29.289 0 250 ILE   A HG12 1 c 
ATOM   2316 H  HG13 . ILE   A 1 138 ? -10.111 -16.862 14.372  1.000 29.477 0 250 ILE   A HG13 1 c 
ATOM   2317 H  HG21 . ILE   A 1 138 ? -8.950  -13.552 15.249  1.000 29.827 0 250 ILE   A HG21 1 c 
ATOM   2318 H  HG22 . ILE   A 1 138 ? -8.110  -13.955 13.966  1.000 29.726 0 250 ILE   A HG22 1 c 
ATOM   2319 H  HG23 . ILE   A 1 138 ? -7.425  -13.958 15.397  1.000 29.834 0 250 ILE   A HG23 1 c 
ATOM   2320 H  HD11 . ILE   A 1 138 ? -11.230 -15.821 16.142  1.000 31.288 0 250 ILE   A HD11 1 c 
ATOM   2321 H  HD12 . ILE   A 1 138 ? -12.038 -15.627 14.784  1.000 31.277 0 250 ILE   A HD12 1 c 
ATOM   2322 H  HD13 . ILE   A 1 138 ? -11.164 -14.431 15.368  1.000 31.317 0 250 ILE   A HD13 1 c 
HETATM 2323 N  N1   . A1H2N B 2 .   ? -22.879 8.381   -3.031  1.000 20.789 0 301 A1H2N A N1   1 ? 
HETATM 2324 N  N3   . A1H2N B 2 .   ? -21.348 8.860   -4.457  1.000 23.038 0 301 A1H2N A N3   1 ? 
HETATM 2325 C  C4   . A1H2N B 2 .   ? -25.389 8.566   -3.354  1.000 26.494 0 301 A1H2N A C4   1 ? 
HETATM 2326 C  C5   . A1H2N B 2 .   ? -20.800 8.916   -3.214  1.000 18.185 0 301 A1H2N A C5   1 ? 
HETATM 2327 C  C6   . A1H2N B 2 .   ? -19.345 9.249   -2.998  1.000 15.633 0 301 A1H2N A C6   1 ? 
HETATM 2328 C  C7   . A1H2N B 2 .   ? -18.908 9.469   -1.533  1.000 15.349 0 301 A1H2N A C7   1 ? 
HETATM 2329 C  C8   . A1H2N B 2 .   ? -17.367 9.623   -1.354  1.000 15.647 0 301 A1H2N A C8   1 ? 
HETATM 2330 C  C10  . A1H2N B 2 .   ? -13.223 8.728   -0.908  1.000 16.103 0 301 A1H2N A C10  1 ? 
HETATM 2331 C  C13  . A1H2N B 2 .   ? -9.655  9.615   -0.472  1.000 21.627 0 301 A1H2N A C13  1 ? 
HETATM 2332 C  C15  . A1H2N B 2 .   ? -10.546 9.163   1.691   1.000 18.582 0 301 A1H2N A C15  1 ? 
HETATM 2333 C  C17  . A1H2N B 2 .   ? -14.492 8.746   -0.454  1.000 15.515 0 301 A1H2N A C17  1 ? 
HETATM 2334 C  C20  . A1H2N B 2 .   ? -19.386 6.162   0.058   1.000 14.456 0 301 A1H2N A C20  1 ? 
HETATM 2335 C  C21  . A1H2N B 2 .   ? -17.280 7.238   -0.654  1.000 12.919 0 301 A1H2N A C21  1 ? 
HETATM 2336 C  C22  . A1H2N B 2 .   ? -21.757 8.557   -2.337  1.000 21.347 0 301 A1H2N A C22  1 ? 
HETATM 2337 C  C1   . A1H2N B 2 .   ? -24.263 6.486   -2.309  1.000 22.679 0 301 A1H2N A C1   1 ? 
HETATM 2338 C  C2   . A1H2N B 2 .   ? -24.224 7.986   -2.536  1.000 22.092 0 301 A1H2N A C2   1 ? 
HETATM 2339 C  C3   . A1H2N B 2 .   ? -24.875 8.699   -1.338  1.000 26.498 0 301 A1H2N A C3   1 ? 
HETATM 2340 O  O1   . A1H2N B 2 .   ? -25.928 9.231   -2.179  1.000 32.214 0 301 A1H2N A O1   1 ? 
HETATM 2341 N  N2   . A1H2N B 2 .   ? -22.643 8.538   -4.338  1.000 24.935 0 301 A1H2N A N2   1 ? 
HETATM 2342 C  C9   . A1H2N B 2 .   ? -16.688 8.300   -1.585  1.000 14.720 0 301 A1H2N A C9   1 ? 
HETATM 2343 N  N4   . A1H2N B 2 .   ? -15.250 8.407   -1.481  1.000 15.266 0 301 A1H2N A N4   1 ? 
HETATM 2344 N  N5   . A1H2N B 2 .   ? -14.490 8.110   -2.549  1.000 17.307 0 301 A1H2N A N5   1 ? 
HETATM 2345 N  N6   . A1H2N B 2 .   ? -13.251 8.297   -2.207  1.000 17.426 0 301 A1H2N A N6   1 ? 
HETATM 2346 C  C11  . A1H2N B 2 .   ? -11.947 9.008   -0.235  1.000 18.677 0 301 A1H2N A C11  1 ? 
HETATM 2347 C  C12  . A1H2N B 2 .   ? -10.858 9.374   -1.023  1.000 20.569 0 301 A1H2N A C12  1 ? 
HETATM 2348 C  C14  . A1H2N B 2 .   ? -9.482  9.534   0.863   1.000 22.352 0 301 A1H2N A C14  1 ? 
HETATM 2349 CL CL1  . A1H2N B 2 .   ? -7.945  9.934   1.417   1.000 34.989 0 301 A1H2N A CL1  1 ? 
HETATM 2350 F  F1   . A1H2N B 2 .   ? -10.436 9.073   3.059   1.000 19.607 0 301 A1H2N A F1   1 ? 
HETATM 2351 C  C16  . A1H2N B 2 .   ? -11.764 8.912   1.126   1.000 18.123 0 301 A1H2N A C16  1 ? 
HETATM 2352 F  F2   . A1H2N B 2 .   ? -12.800 8.579   1.887   1.000 18.701 0 301 A1H2N A F2   1 ? 
HETATM 2353 O  O2   . A1H2N B 2 .   ? -16.832 10.548  -2.276  1.000 18.640 0 301 A1H2N A O2   1 ? 
HETATM 2354 C  C18  . A1H2N B 2 .   ? -17.009 11.911  -1.897  1.000 22.105 0 301 A1H2N A C18  1 ? 
HETATM 2355 O  O3   . A1H2N B 2 .   ? -19.392 8.400   -0.664  1.000 14.989 0 301 A1H2N A O3   1 ? 
HETATM 2356 C  C19  . A1H2N B 2 .   ? -18.774 7.128   -0.900  1.000 14.000 0 301 A1H2N A C19  1 ? 
HETATM 2357 O  O4   . A1H2N B 2 .   ? -20.795 5.960   -0.249  1.000 14.599 0 301 A1H2N A O4   1 ? 
HETATM 2358 O  O5   . A1H2N B 2 .   ? -16.968 7.526   0.688   1.000 13.014 0 301 A1H2N A O5   1 ? 
HETATM 2359 H  H7   . A1H2N B 2 .   ? -25.113 9.282   -4.132  1.000 26.244 0 301 A1H2N A H7   1 c 
HETATM 2360 H  H6   . A1H2N B 2 .   ? -26.086 7.830   -3.764  1.000 26.194 0 301 A1H2N A H6   1 c 
HETATM 2361 H  H8   . A1H2N B 2 .   ? -19.125 10.162  -3.556  1.000 15.709 0 301 A1H2N A H8   1 c 
HETATM 2362 H  H9   . A1H2N B 2 .   ? -18.747 8.460   -3.458  1.000 15.875 0 301 A1H2N A H9   1 c 
HETATM 2363 H  H10  . A1H2N B 2 .   ? -19.384 10.385  -1.176  1.000 15.261 0 301 A1H2N A H10  1 c 
HETATM 2364 H  H11  . A1H2N B 2 .   ? -17.146 9.973   -0.342  1.000 15.891 0 301 A1H2N A H11  1 c 
HETATM 2365 H  H14  . A1H2N B 2 .   ? -8.827  9.915   -1.105  1.000 21.308 0 301 A1H2N A H14  1 c 
HETATM 2366 H  H15  . A1H2N B 2 .   ? -14.911 9.042   0.495   1.000 15.839 0 301 A1H2N A H15  1 c 
HETATM 2367 H  H20  . A1H2N B 2 .   ? -19.315 6.535   1.083   1.000 14.428 0 301 A1H2N A H20  1 c 
HETATM 2368 H  H21  . A1H2N B 2 .   ? -18.878 5.196   0.003   1.000 14.297 0 301 A1H2N A H21  1 c 
HETATM 2369 H  H23  . A1H2N B 2 .   ? -16.823 6.274   -0.890  1.000 13.194 0 301 A1H2N A H23  1 c 
HETATM 2370 H  H25  . A1H2N B 2 .   ? -21.753 8.488   -1.261  1.000 20.838 0 301 A1H2N A H25  1 c 
HETATM 2371 H  H1   . A1H2N B 2 .   ? -23.301 6.031   -2.562  1.000 22.638 0 301 A1H2N A H1   1 c 
HETATM 2372 H  H2   . A1H2N B 2 .   ? -25.025 6.016   -2.935  1.000 22.638 0 301 A1H2N A H2   1 c 
HETATM 2373 H  H3   . A1H2N B 2 .   ? -24.483 6.234   -1.270  1.000 22.463 0 301 A1H2N A H3   1 c 
HETATM 2374 H  H5   . A1H2N B 2 .   ? -24.270 9.496   -0.899  1.000 26.103 0 301 A1H2N A H5   1 c 
HETATM 2375 H  H4   . A1H2N B 2 .   ? -25.279 8.062   -0.547  1.000 26.029 0 301 A1H2N A H4   1 c 
HETATM 2376 H  H12  . A1H2N B 2 .   ? -16.859 7.986   -2.616  1.000 14.531 0 301 A1H2N A H12  1 c 
HETATM 2377 H  H13  . A1H2N B 2 .   ? -10.963 9.447   -2.099  1.000 20.507 0 301 A1H2N A H13  1 c 
HETATM 2378 H  H17  . A1H2N B 2 .   ? -16.544 12.551  -2.652  1.000 21.255 0 301 A1H2N A H17  1 c 
HETATM 2379 H  H18  . A1H2N B 2 .   ? -16.532 12.088  -0.930  1.000 21.334 0 301 A1H2N A H18  1 c 
HETATM 2380 H  H16  . A1H2N B 2 .   ? -18.075 12.143  -1.836  1.000 21.065 0 301 A1H2N A H16  1 c 
HETATM 2381 H  H19  . A1H2N B 2 .   ? -18.975 6.805   -1.924  1.000 14.053 0 301 A1H2N A H19  1 c 
HETATM 2382 H  H22  . A1H2N B 2 .   ? -21.225 6.829   -0.179  0.000 14.654 0 301 A1H2N A H22  1 c 
HETATM 2383 H  H24  . A1H2N B 2 .   ? -16.444 8.347   0.676   0.000 13.075 0 301 A1H2N A H24  1 c 
HETATM 2384 S  S    . SCN   C 3 .   ? -15.309 11.052  2.371   1.000 31.540 0 302 SCN   A S    1 ? 
HETATM 2385 C  C    . SCN   C 3 .   ? -14.338 11.742  1.334   1.000 32.234 0 302 SCN   A C    1 ? 
HETATM 2386 N  N    . SCN   C 3 .   ? -13.587 12.188  0.569   1.000 31.449 0 302 SCN   A N    1 ? 
HETATM 2387 O  O    . HOH   D 4 .   ? -14.290 9.063   20.113  1.000 32.841 0 401 HOH   A O    1 ? 
HETATM 2388 O  O    . HOH   D 4 .   ? -1.218  -4.085  -2.842  1.000 44.021 0 402 HOH   A O    1 ? 
HETATM 2389 O  O    . HOH   D 4 .   ? -24.988 -5.744  9.323   1.000 35.021 0 403 HOH   A O    1 ? 
HETATM 2390 O  O    . HOH   D 4 .   ? -8.288  3.614   0.976   1.000 17.820 0 404 HOH   A O    1 ? 
HETATM 2391 O  O    . HOH   D 4 .   ? -10.871 16.473  13.371  1.000 34.753 0 405 HOH   A O    1 ? 
HETATM 2392 O  O    . HOH   D 4 .   ? 2.669   -3.900  5.793   1.000 36.065 0 406 HOH   A O    1 ? 
HETATM 2393 O  O    . HOH   D 4 .   ? -23.507 13.975  8.882   1.000 25.630 0 407 HOH   A O    1 ? 
HETATM 2394 O  O    . HOH   D 4 .   ? -11.088 14.560  18.153  1.000 36.224 0 408 HOH   A O    1 ? 
HETATM 2395 O  O    . HOH   D 4 .   ? -20.495 18.518  5.267   1.000 37.055 0 409 HOH   A O    1 ? 
HETATM 2396 O  O    . HOH   D 4 .   ? -20.735 10.857  16.086  1.000 24.843 0 410 HOH   A O    1 ? 
HETATM 2397 O  O    . HOH   D 4 .   ? -22.628 -1.662  8.408   1.000 22.468 0 411 HOH   A O    1 ? 
HETATM 2398 O  O    . HOH   D 4 .   ? -11.323 5.670   -0.663  1.000 25.003 0 412 HOH   A O    1 ? 
HETATM 2399 O  O    . HOH   D 4 .   ? 0.658   8.184   18.433  1.000 29.683 0 413 HOH   A O    1 ? 
HETATM 2400 O  O    . HOH   D 4 .   ? -24.632 -5.000  6.780   1.000 18.529 0 414 HOH   A O    1 ? 
HETATM 2401 O  O    . HOH   D 4 .   ? -21.902 10.321  1.036   1.000 18.879 0 415 HOH   A O    1 ? 
HETATM 2402 O  O    . HOH   D 4 .   ? -16.907 -10.567 -11.792 1.000 34.252 0 416 HOH   A O    1 ? 
HETATM 2403 O  O    . HOH   D 4 .   ? -13.682 14.672  21.333  1.000 21.685 0 417 HOH   A O    1 ? 
HETATM 2404 O  O    . HOH   D 4 .   ? -7.205  12.926  3.260   1.000 33.066 0 418 HOH   A O    1 ? 
HETATM 2405 O  O    . HOH   D 4 .   ? -17.253 -7.471  -7.156  1.000 18.581 0 419 HOH   A O    1 ? 
HETATM 2406 O  O    . HOH   D 4 .   ? -18.734 -5.804  -10.986 1.000 26.207 0 420 HOH   A O    1 ? 
HETATM 2407 O  O    . HOH   D 4 .   ? -3.008  -8.711  -4.473  1.000 22.513 0 421 HOH   A O    1 ? 
HETATM 2408 O  O    . HOH   D 4 .   ? -24.105 21.892  10.297  1.000 29.906 0 422 HOH   A O    1 ? 
HETATM 2409 O  O    . HOH   D 4 .   ? -23.898 -4.940  3.365   1.000 15.654 0 423 HOH   A O    1 ? 
HETATM 2410 O  O    . HOH   D 4 .   ? -20.729 -6.272  -14.368 1.000 40.791 0 424 HOH   A O    1 ? 
HETATM 2411 O  O    . HOH   D 4 .   ? -19.080 -6.805  0.217   1.000 13.847 0 425 HOH   A O    1 ? 
HETATM 2412 O  O    . HOH   D 4 .   ? -21.296 2.582   8.996   1.000 23.951 0 426 HOH   A O    1 ? 
HETATM 2413 O  O    . HOH   D 4 .   ? -4.168  -9.143  12.972  1.000 22.570 0 427 HOH   A O    1 ? 
HETATM 2414 O  O    . HOH   D 4 .   ? -1.486  -9.123  12.468  1.000 27.898 0 428 HOH   A O    1 ? 
HETATM 2415 O  O    . HOH   D 4 .   ? -15.526 -2.047  -11.552 1.000 18.315 0 429 HOH   A O    1 ? 
HETATM 2416 O  O    . HOH   D 4 .   ? -11.857 -17.455 0.904   1.000 23.459 0 430 HOH   A O    1 ? 
HETATM 2417 O  O    . HOH   D 4 .   ? -15.436 14.756  7.110   1.000 22.336 0 431 HOH   A O    1 ? 
HETATM 2418 O  O    . HOH   D 4 .   ? 0.375   4.918   15.929  1.000 33.574 0 432 HOH   A O    1 ? 
HETATM 2419 O  O    . HOH   D 4 .   ? -26.215 -1.764  8.776   1.000 31.894 0 433 HOH   A O    1 ? 
HETATM 2420 O  O    . HOH   D 4 .   ? -11.842 1.253   23.555  1.000 38.971 0 434 HOH   A O    1 ? 
HETATM 2421 O  O    . HOH   D 4 .   ? -20.165 9.061   -6.966  1.000 47.083 0 435 HOH   A O    1 ? 
HETATM 2422 O  O    . HOH   D 4 .   ? -33.203 1.027   -1.517  1.000 45.105 0 436 HOH   A O    1 ? 
HETATM 2423 O  O    . HOH   D 4 .   ? -23.359 11.288  12.766  1.000 29.602 0 437 HOH   A O    1 ? 
HETATM 2424 O  O    . HOH   D 4 .   ? -7.575  -3.902  -6.797  1.000 29.425 0 438 HOH   A O    1 ? 
HETATM 2425 O  O    . HOH   D 4 .   ? -23.025 -4.650  15.148  1.000 32.422 0 439 HOH   A O    1 ? 
HETATM 2426 O  O    . HOH   D 4 .   ? 6.146   4.794   3.166   1.000 29.319 0 440 HOH   A O    1 ? 
HETATM 2427 O  O    . HOH   D 4 .   ? -24.935 -10.559 2.716   1.000 25.740 0 441 HOH   A O    1 ? 
HETATM 2428 O  O    . HOH   D 4 .   ? -20.357 3.779   -13.774 1.000 52.414 0 442 HOH   A O    1 ? 
HETATM 2429 O  O    . HOH   D 4 .   ? -16.261 -0.455  -8.817  1.000 14.958 0 443 HOH   A O    1 ? 
HETATM 2430 O  O    . HOH   D 4 .   ? -24.969 -8.747  -3.170  1.000 34.545 0 444 HOH   A O    1 ? 
HETATM 2431 O  O    . HOH   D 4 .   ? -15.352 7.428   -5.308  1.000 31.439 0 445 HOH   A O    1 ? 
HETATM 2432 O  O    . HOH   D 4 .   ? -8.739  6.620   -1.240  1.000 45.089 0 446 HOH   A O    1 ? 
HETATM 2433 O  O    . HOH   D 4 .   ? -26.087 15.561  8.819   1.000 49.800 0 447 HOH   A O    1 ? 
HETATM 2434 O  O    . HOH   D 4 .   ? -17.472 -8.885  0.852   1.000 13.224 0 448 HOH   A O    1 ? 
HETATM 2435 O  O    . HOH   D 4 .   ? -4.605  -12.426 1.796   1.000 26.755 0 449 HOH   A O    1 ? 
HETATM 2436 O  O    . HOH   D 4 .   ? -0.707  -4.261  12.282  1.000 18.588 0 450 HOH   A O    1 ? 
HETATM 2437 O  O    . HOH   D 4 .   ? -12.703 4.039   -2.920  1.000 29.763 0 451 HOH   A O    1 ? 
HETATM 2438 O  O    . HOH   D 4 .   ? -14.507 -14.666 -11.052 1.000 29.804 0 452 HOH   A O    1 ? 
HETATM 2439 O  O    . HOH   D 4 .   ? -7.362  -0.817  22.656  1.000 27.005 0 453 HOH   A O    1 ? 
HETATM 2440 O  O    . HOH   D 4 .   ? -9.692  -3.184  17.835  1.000 14.682 0 454 HOH   A O    1 ? 
HETATM 2441 O  O    . HOH   D 4 .   ? -21.476 6.281   -7.685  1.000 24.403 0 455 HOH   A O    1 ? 
HETATM 2442 O  O    . HOH   D 4 .   ? -11.611 4.453   21.639  1.000 39.428 0 456 HOH   A O    1 ? 
HETATM 2443 O  O    . HOH   D 4 .   ? -1.375  2.965   17.016  1.000 23.405 0 457 HOH   A O    1 ? 
HETATM 2444 O  O    . HOH   D 4 .   ? -10.427 8.422   23.094  1.000 25.346 0 458 HOH   A O    1 ? 
HETATM 2445 O  O    . HOH   D 4 .   ? -8.244  7.996   16.843  1.000 17.549 0 459 HOH   A O    1 ? 
HETATM 2446 O  O    . HOH   D 4 .   ? 0.317   -9.676  7.367   1.000 30.562 0 460 HOH   A O    1 ? 
HETATM 2447 O  O    . HOH   D 4 .   ? -23.460 -3.038  12.668  1.000 22.450 0 461 HOH   A O    1 ? 
HETATM 2448 O  O    . HOH   D 4 .   ? -13.253 6.459   -12.205 1.000 32.267 0 462 HOH   A O    1 ? 
HETATM 2449 O  O    . HOH   D 4 .   ? -22.593 -1.003  -5.242  1.000 26.111 0 463 HOH   A O    1 ? 
HETATM 2450 O  O    . HOH   D 4 .   ? -15.053 1.118   18.925  1.000 32.388 0 464 HOH   A O    1 ? 
HETATM 2451 O  O    . HOH   D 4 .   ? -8.020  -6.825  -5.884  1.000 15.702 0 465 HOH   A O    1 ? 
HETATM 2452 O  O    . HOH   D 4 .   ? -9.803  7.454   20.453  1.000 21.461 0 466 HOH   A O    1 ? 
HETATM 2453 O  O    . HOH   D 4 .   ? -26.377 -1.296  -2.843  1.000 24.791 0 467 HOH   A O    1 ? 
HETATM 2454 O  O    . HOH   D 4 .   ? -25.692 9.867   9.059   1.000 27.841 0 468 HOH   A O    1 ? 
HETATM 2455 O  O    . HOH   D 4 .   ? -12.418 -2.508  25.145  1.000 66.498 0 469 HOH   A O    1 ? 
HETATM 2456 O  O    . HOH   D 4 .   ? -0.738  12.402  14.404  1.000 47.995 0 470 HOH   A O    1 ? 
HETATM 2457 O  O    . HOH   D 4 .   ? -24.914 -11.759 5.133   1.000 40.208 0 471 HOH   A O    1 ? 
HETATM 2458 O  O    . HOH   D 4 .   ? -16.627 -4.946  22.511  1.000 39.003 0 472 HOH   A O    1 ? 
HETATM 2459 O  O    . HOH   D 4 .   ? -26.663 4.274   -4.688  1.000 41.807 0 473 HOH   A O    1 ? 
HETATM 2460 O  O    . HOH   D 4 .   ? 3.151   -3.082  8.299   1.000 27.591 0 474 HOH   A O    1 ? 
HETATM 2461 O  O    . HOH   D 4 .   ? -8.351  6.445   18.606  1.000 23.460 0 475 HOH   A O    1 ? 
HETATM 2462 O  O    . HOH   D 4 .   ? -13.519 2.358   21.106  1.000 34.369 0 476 HOH   A O    1 ? 
HETATM 2463 O  O    . HOH   D 4 .   ? -19.067 -11.524 -6.197  1.000 23.908 0 477 HOH   A O    1 ? 
HETATM 2464 O  O    . HOH   D 4 .   ? -4.202  -8.436  -7.037  1.000 35.343 0 478 HOH   A O    1 ? 
HETATM 2465 O  O    . HOH   D 4 .   ? -3.918  2.175   -1.673  1.000 45.823 0 479 HOH   A O    1 ? 
HETATM 2466 O  O    . HOH   D 4 .   ? -13.383 -7.106  14.860  1.000 29.205 0 480 HOH   A O    1 ? 
HETATM 2467 O  O    . HOH   D 4 .   ? -27.233 5.785   0.125   1.000 28.990 0 481 HOH   A O    1 ? 
HETATM 2468 O  O    . HOH   D 4 .   ? -4.038  9.509   1.460   1.000 21.383 0 482 HOH   A O    1 ? 
HETATM 2469 O  O    . HOH   D 4 .   ? -14.718 -17.160 -1.744  1.000 29.018 0 483 HOH   A O    1 ? 
HETATM 2470 O  O    . HOH   D 4 .   ? -23.827 -2.414  -3.484  1.000 14.979 0 484 HOH   A O    1 ? 
HETATM 2471 O  O    . HOH   D 4 .   ? -7.209  1.431   -5.701  1.000 55.395 0 485 HOH   A O    1 ? 
HETATM 2472 O  O    . HOH   D 4 .   ? -17.484 14.739  5.020   1.000 32.155 0 486 HOH   A O    1 ? 
HETATM 2473 O  O    . HOH   D 4 .   ? -6.004  3.738   -0.935  1.000 41.420 0 487 HOH   A O    1 ? 
HETATM 2474 O  O    . HOH   D 4 .   ? -2.672  -15.432 7.804   1.000 38.566 0 488 HOH   A O    1 ? 
HETATM 2475 O  O    . HOH   D 4 .   ? -1.314  -10.755 -3.872  1.000 24.765 0 489 HOH   A O    1 ? 
HETATM 2476 O  O    . HOH   D 4 .   ? 1.225   -9.348  5.166   1.000 42.757 0 490 HOH   A O    1 ? 
HETATM 2477 O  O    . HOH   D 4 .   ? -26.416 -8.787  1.835   1.000 37.444 0 491 HOH   A O    1 ? 
HETATM 2478 O  O    . HOH   D 4 .   ? -4.083  -10.147 15.705  1.000 41.190 0 492 HOH   A O    1 ? 
HETATM 2479 O  O    . HOH   D 4 .   ? -26.290 -6.229  2.488   1.000 22.505 0 493 HOH   A O    1 ? 
HETATM 2480 O  O    . HOH   D 4 .   ? -19.934 -8.657  -6.878  1.000 26.251 0 494 HOH   A O    1 ? 
HETATM 2481 O  O    . HOH   D 4 .   ? -24.625 12.033  10.611  1.000 24.619 0 495 HOH   A O    1 ? 
HETATM 2482 O  O    . HOH   D 4 .   ? -11.747 -8.539  16.273  1.000 26.654 0 496 HOH   A O    1 ? 
HETATM 2483 O  O    . HOH   D 4 .   ? 7.394   7.405   1.913   1.000 36.843 0 497 HOH   A O    1 ? 
HETATM 2484 O  O    . HOH   D 4 .   ? -24.821 -4.973  -3.823  1.000 34.012 0 498 HOH   A O    1 ? 
HETATM 2485 O  O    . HOH   D 4 .   ? -14.761 -18.269 0.753   1.000 38.557 0 499 HOH   A O    1 ? 
HETATM 2486 O  O    . HOH   D 4 .   ? -15.608 -17.170 13.063  1.000 31.875 0 500 HOH   A O    1 ? 
HETATM 2487 O  O    . HOH   D 4 .   ? 1.319   -10.172 -2.979  1.000 26.290 0 501 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   ? 0.38754630 0.50457227 0.29720882 0.07969753  -0.02824688 -0.05145365 113 PRO   A N    
2    C  CA   . PRO   A 1   ? 0.30799198 0.50902945 0.24230917 0.01794735  0.00434279  -0.01431559 113 PRO   A CA   
3    C  C    . PRO   A 1   ? 0.23340400 0.47873589 0.22275357 -0.02678040 0.02611652  -0.01437209 113 PRO   A C    
4    O  O    . PRO   A 1   ? 0.22973503 0.60322011 0.18841672 -0.02210443 0.02167596  0.03203687  113 PRO   A O    
5    C  CB   . PRO   A 1   ? 0.38656420 0.46149540 0.24846900 0.02489936  0.02873825  -0.02446019 113 PRO   A CB   
6    C  CG   . PRO   A 1   ? 0.41007954 0.51193714 0.29591635 0.03588398  -0.00579754 -0.00770450 113 PRO   A CG   
7    C  CD   . PRO   A 1   ? 0.41652074 0.54517847 0.27034628 0.06085232  -0.00899703 0.00145546  113 PRO   A CD   
8    H  H    . PRO   A 1   ? 0.37026930 0.50666404 0.27501759 0.06514223  -0.01361080 -0.03637335 113 PRO   A H    
9    H  HA   . PRO   A 1   ? 0.31205025 0.48883548 0.24500626 0.01831597  0.00875313  -0.02207194 113 PRO   A HA   
10   H  HB2  . PRO   A 1   ? 0.37059146 0.48193848 0.25542134 0.02481052  0.01694153  -0.01849664 113 PRO   A HB2  
11   H  HB3  . PRO   A 1   ? 0.37199804 0.48215070 0.25578624 0.02542264  0.01656738  -0.01869906 113 PRO   A HB3  
12   H  HG2  . PRO   A 1   ? 0.40698588 0.50613660 0.27993515 0.03849988  0.00084388  -0.00950462 113 PRO   A HG2  
13   H  HG3  . PRO   A 1   ? 0.41207510 0.50614589 0.28311515 0.03764532  -0.00340472 -0.00901698 113 PRO   A HG3  
14   H  HD2  . PRO   A 1   ? 0.41185212 0.52807754 0.28264984 0.05905899  -0.01130482 -0.01283238 113 PRO   A HD2  
15   H  HD3  . PRO   A 1   ? 0.40784723 0.52724755 0.28168127 0.05884337  -0.01156675 -0.01196204 113 PRO   A HD3  
16   N  N    . LEU   A 2   ? 0.22858280 0.31559175 0.19238719 -0.02218881 0.04503334  -0.01943563 114 LEU   A N    
17   C  CA   . LEU   A 2   ? 0.23529157 0.29607809 0.19817054 -0.02322432 0.03934130  -0.03711080 114 LEU   A CA   
18   C  C    . LEU   A 2   ? 0.23676956 0.29711664 0.23306337 -0.03572337 0.06183659  -0.00830524 114 LEU   A C    
19   O  O    . LEU   A 2   ? 0.39975744 0.26095763 0.26363513 0.02591504  0.09222417  -0.04291838 114 LEU   A O    
20   C  CB   . LEU   A 2   ? 0.25706670 0.26256609 0.28018102 -0.01321367 0.04928578  -0.04913677 114 LEU   A CB   
21   C  CG   . LEU   A 2   ? 0.29281616 0.28986439 0.37824440 -0.01746894 0.03288364  -0.02451132 114 LEU   A CG   
22   C  CD1  . LEU   A 2   ? 0.32273468 0.27077907 0.42754716 -0.04002156 0.04096992  0.00348279  114 LEU   A CD1  
23   C  CD2  . LEU   A 2   ? 0.32897729 0.33016691 0.45578605 -0.00482499 0.04610284  -0.03335882 114 LEU   A CD2  
24   H  H    . LEU   A 2   ? 0.22737755 0.33864084 0.19714928 -0.02178229 0.04333798  -0.02292968 114 LEU   A H    
25   H  HA   . LEU   A 2   ? 0.23756239 0.29645684 0.21656065 -0.02345858 0.04597899  -0.03046492 114 LEU   A HA   
26   H  HB2  . LEU   A 2   ? 0.25444320 0.27547181 0.27462274 -0.01634037 0.04453791  -0.04131232 114 LEU   A HB2  
27   H  HB3  . LEU   A 2   ? 0.25707641 0.27608731 0.27812725 -0.01629519 0.04407459  -0.04148259 114 LEU   A HB3  
28   H  HG   . LEU   A 2   ? 0.29294646 0.28676715 0.37282875 -0.01840738 0.04014131  -0.02614944 114 LEU   A HG   
29   H  HD11 . LEU   A 2   ? 0.31863627 0.27688354 0.41500011 -0.03459154 0.03562739  -0.00362740 114 LEU   A HD11 
30   H  HD12 . LEU   A 2   ? 0.31475306 0.27547207 0.41401091 -0.03302085 0.03807921  -0.00392023 114 LEU   A HD12 
31   H  HD13 . LEU   A 2   ? 0.31537828 0.27660540 0.41891003 -0.03257936 0.03953407  -0.00365915 114 LEU   A HD13 
32   H  HD21 . LEU   A 2   ? 0.32108873 0.32299739 0.42844251 -0.00386717 0.04442032  -0.02956098 114 LEU   A HD21 
33   H  HD22 . LEU   A 2   ? 0.31791216 0.31900069 0.44043911 -0.00793472 0.04501361  -0.03048869 114 LEU   A HD22 
34   H  HD23 . LEU   A 2   ? 0.31862968 0.32438290 0.43220291 -0.00973022 0.04381103  -0.03241733 114 LEU   A HD23 
35   N  N    . ILE   A 3   ? 0.28381407 0.34931070 0.20766735 -0.02346102 0.04693252  0.00279875  115 ILE   A N    
36   C  CA   . ILE   A 3   ? 0.27402049 0.39671570 0.26200441 -0.02714573 -0.01137593 0.01787080  115 ILE   A CA   
37   C  C    . ILE   A 3   ? 0.28197777 0.34281203 0.16712864 -0.02010175 -0.01102620 -0.00640005 115 ILE   A C    
38   O  O    . ILE   A 3   ? 0.29758269 0.51854122 0.18614978 0.04631773  -0.01644820 -0.09596017 115 ILE   A O    
39   C  CB   . ILE   A 3   ? 0.34162754 0.41646582 0.31041631 -0.02633972 -0.02414253 0.07975769  115 ILE   A CB   
40   C  CG1  . ILE   A 3   ? 0.34794179 0.44985601 0.39692903 -0.03195722 -0.06359018 0.11369777  115 ILE   A CG1  
41   C  CG2  . ILE   A 3   ? 0.36696765 0.42115593 0.30515972 -0.03021330 -0.02410005 0.09222407  115 ILE   A CG2  
42   C  CD1  . ILE   A 3   ? 0.39411858 0.51529419 0.45654377 -0.03807962 -0.06662890 0.09307326  115 ILE   A CD1  
43   H  H    . ILE   A 3   ? 0.26724526 0.34331733 0.22228476 -0.02560886 0.04199862  0.00129206  115 ILE   A H    
44   H  HA   . ILE   A 3   ? 0.28844929 0.37856847 0.24586451 -0.02676214 -0.00489510 0.02426506  115 ILE   A HA   
45   H  HB   . ILE   A 3   ? 0.33115986 0.41753569 0.31153792 -0.02820123 -0.02796818 0.07486370  115 ILE   A HB   
46   H  HG12 . ILE   A 3   ? 0.35517067 0.45290965 0.39319652 -0.03197646 -0.05728509 0.10197963  115 ILE   A HG12 
47   H  HG13 . ILE   A 3   ? 0.35371852 0.45159009 0.38581926 -0.03118374 -0.05457228 0.10093032  115 ILE   A HG13 
48   H  HG21 . ILE   A 3   ? 0.35999417 0.42029995 0.30822721 -0.02936224 -0.02410007 0.08881301  115 ILE   A HG21 
49   H  HG22 . ILE   A 3   ? 0.36007077 0.41996980 0.30803102 -0.02932207 -0.02423229 0.08906258  115 ILE   A HG22 
50   H  HG23 . ILE   A 3   ? 0.36071217 0.41878092 0.30679190 -0.02887513 -0.02238800 0.08785788  115 ILE   A HG23 
51   H  HD11 . ILE   A 3   ? 0.38317281 0.49508494 0.44699860 -0.03671610 -0.06670719 0.09977251  115 ILE   A HD11 
52   H  HD12 . ILE   A 3   ? 0.38662302 0.49533689 0.44231355 -0.03661799 -0.06150355 0.10010770  115 ILE   A HD12 
53   H  HD13 . ILE   A 3   ? 0.38411027 0.49957770 0.43828148 -0.04044297 -0.06512449 0.10053399  115 ILE   A HD13 
54   N  N    . VAL   A 4   ? 0.27192658 0.27619773 0.19614679 -0.03950146 -0.02479192 0.02376515  116 VAL   A N    
55   C  CA   . VAL   A 4   ? 0.26905996 0.26435912 0.15894094 -0.02755072 -0.00593502 0.02789544  116 VAL   A CA   
56   C  C    . VAL   A 4   ? 0.28426591 0.23964274 0.13032208 -0.04368862 -0.00440670 -0.01077718 116 VAL   A C    
57   O  O    . VAL   A 4   ? 0.31183887 0.25721502 0.18081251 -0.06840362 -0.00275100 -0.01527305 116 VAL   A O    
58   C  CB   . VAL   A 4   ? 0.33216348 0.29924697 0.13900492 -0.02257624 0.00684109  0.02977958  116 VAL   A CB   
59   C  CG1  . VAL   A 4   ? 0.34626943 0.31624675 0.15209503 -0.02389902 0.01938059  0.03782270  116 VAL   A CG1  
60   C  CG2  . VAL   A 4   ? 0.37941301 0.32284179 0.21649946 -0.00167950 -0.00967793 0.02534829  116 VAL   A CG2  
61   H  HA   . VAL   A 4   ? 0.28174663 0.26792794 0.15669091 -0.03145675 -0.00677220 0.01933035  116 VAL   A HA   
62   H  HB   . VAL   A 4   ? 0.32609487 0.29650334 0.15609658 -0.02059528 0.00385293  0.02919111  116 VAL   A HB   
63   H  HG11 . VAL   A 4   ? 0.34441632 0.31144208 0.15020582 -0.02350305 0.01751959  0.03584416  116 VAL   A HG11 
64   H  HG12 . VAL   A 4   ? 0.34257567 0.31379750 0.14925246 -0.02341610 0.01609075  0.03688408  116 VAL   A HG12 
65   H  HG13 . VAL   A 4   ? 0.34293294 0.31161988 0.14889224 -0.02360128 0.01579922  0.03586257  116 VAL   A HG13 
66   H  HG21 . VAL   A 4   ? 0.37209210 0.31512833 0.19541690 -0.00898347 -0.00882983 0.02578099  116 VAL   A HG21 
67   H  HG22 . VAL   A 4   ? 0.36550763 0.31982741 0.19814868 -0.00864662 -0.00449483 0.02019189  116 VAL   A HG22 
68   H  HG23 . VAL   A 4   ? 0.36984918 0.31573519 0.19518888 -0.00755176 -0.00148956 0.02615533  116 VAL   A HG23 
69   N  N    . PRO   A 5   ? 0.27457416 0.25818357 0.15091406 -0.02144451 -0.01121604 -0.01062293 117 PRO   A N    
70   C  CA   . PRO   A 5   ? 0.28440154 0.23654161 0.14082962 -0.01432019 -0.00156035 -0.01843818 117 PRO   A CA   
71   C  C    . PRO   A 5   ? 0.25672930 0.24196008 0.16027053 -0.02080356 0.01917922  -0.01894408 117 PRO   A C    
72   O  O    . PRO   A 5   ? 0.26502150 0.28743947 0.17841156 -0.00359319 0.02709150  -0.00859339 117 PRO   A O    
73   C  CB   . PRO   A 5   ? 0.30548659 0.27043700 0.17372544 -0.02035795 -0.01852032 -0.03928521 117 PRO   A CB   
74   C  CG   . PRO   A 5   ? 0.35053873 0.30176342 0.22332141 -0.01653951 -0.00014840 -0.01911568 117 PRO   A CG   
75   C  CD   . PRO   A 5   ? 0.32314536 0.27177575 0.17747134 -0.01030862 0.00558889  0.01048211  117 PRO   A CD   
76   H  HA   . PRO   A 5   ? 0.27926660 0.24664235 0.14916743 -0.01789768 0.00001721  -0.01976894 117 PRO   A HA   
77   H  HB2  . PRO   A 5   ? 0.30716613 0.26402614 0.17266542 -0.01845554 -0.01088281 -0.03186744 117 PRO   A HB2  
78   H  HB3  . PRO   A 5   ? 0.30814826 0.26648936 0.17345591 -0.01848633 -0.01109288 -0.03062956 117 PRO   A HB3  
79   H  HG2  . PRO   A 5   ? 0.33713457 0.28910923 0.20345870 -0.01934845 -0.00578881 -0.01522066 117 PRO   A HG2  
80   H  HG3  . PRO   A 5   ? 0.33791071 0.29004559 0.20420074 -0.02028563 0.00065773  -0.02001557 117 PRO   A HG3  
81   H  HD2  . PRO   A 5   ? 0.31550580 0.27334434 0.17852096 -0.01416030 -0.00022479 -0.00060732 117 PRO   A HD2  
82   H  HD3  . PRO   A 5   ? 0.31460115 0.27338412 0.17833599 -0.01428904 0.00017825  -0.00040222 117 PRO   A HD3  
83   N  N    . TYR   A 6   ? 0.23040599 0.22673582 0.11750671 -0.02106194 0.02366004  -0.02795275 118 TYR   A N    
84   C  CA   . TYR   A 6   ? 0.21958625 0.21919236 0.14928170 -0.01963806 0.02041204  -0.03746721 118 TYR   A CA   
85   C  C    . TYR   A 6   ? 0.23574448 0.20746589 0.15703407 -0.00991432 0.01733632  -0.04713640 118 TYR   A C    
86   O  O    . TYR   A 6   ? 0.23746935 0.20535108 0.23905215 -0.01028439 0.03632253  -0.05451545 118 TYR   A O    
87   C  CB   . TYR   A 6   ? 0.24177289 0.24090001 0.16247551 -0.00767269 0.00516979  -0.02528263 118 TYR   A CB   
88   C  CG   . TYR   A 6   ? 0.26363617 0.25791541 0.17777021 -0.00076316 -0.00728893 -0.02189794 118 TYR   A CG   
89   C  CD1  . TYR   A 6   ? 0.29775146 0.27586013 0.31253934 0.03052156  0.02787339  0.03806026  118 TYR   A CD1  
90   C  CD2  . TYR   A 6   ? 0.26440221 0.27568522 0.16282344 -0.01096722 0.01163996  -0.03396282 118 TYR   A CD2  
91   C  CE1  . TYR   A 6   ? 0.33909243 0.28700557 0.35240442 0.05642086  0.02881633  0.05460046  118 TYR   A CE1  
92   C  CE2  . TYR   A 6   ? 0.29891413 0.27413461 0.17072020 -0.01230127 0.00364785  -0.01984338 118 TYR   A CE2  
93   C  CZ   . TYR   A 6   ? 0.33284032 0.28981948 0.24379951 0.06087308  0.03942195  0.02030957  118 TYR   A CZ   
94   O  OH   . TYR   A 6   ? 0.47521663 0.35284036 0.36996239 0.13117591  0.04539419  0.04146299  118 TYR   A OH   
95   H  H    . TYR   A 6   ? 0.23013760 0.22799924 0.13257642 -0.02039466 0.02318956  -0.02822574 118 TYR   A H    
96   H  HA   . TYR   A 6   ? 0.22587863 0.22226262 0.14543875 -0.01628664 0.02043620  -0.03533075 118 TYR   A HA   
97   H  HB2  . TYR   A 6   ? 0.24125727 0.23991257 0.16231197 -0.00819239 0.00651304  -0.02710289 118 TYR   A HB2  
98   H  HB3  . TYR   A 6   ? 0.24148192 0.23924720 0.16258812 -0.00895083 0.00583667  -0.02743130 118 TYR   A HB3  
99   H  HD1  . TYR   A 6   ? 0.29219493 0.27194494 0.26965725 0.02712790  0.01839157  0.02387156  118 TYR   A HD1  
100  H  HD2  . TYR   A 6   ? 0.26631269 0.27033666 0.16881001 -0.00745936 0.00763008  -0.02736560 118 TYR   A HD2  
101  H  HE1  . TYR   A 6   ? 0.33492571 0.28466064 0.31184575 0.04975988  0.02765644  0.04136313  118 TYR   A HE1  
102  H  HE2  . TYR   A 6   ? 0.29344550 0.27439502 0.17915945 0.00179364  0.01347939  -0.01345109 118 TYR   A HE2  
103  H  HH   . TYR   A 6   ? 0.40682986 0.40682986 0.40682986 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
104  N  N    . ASN   A 7   ? 0.27303979 0.23615508 0.18450211 -0.00789599 0.04064064  -0.06426118 119 ASN   A N    
105  C  CA   . ASN   A 7   ? 0.29728085 0.23198721 0.20108332 -0.00010531 0.07127120  -0.07220759 119 ASN   A CA   
106  C  C    . ASN   A 7   ? 0.27043140 0.23009959 0.21780553 0.00650274  0.05382375  -0.07633436 119 ASN   A C    
107  O  O    . ASN   A 7   ? 0.28712928 0.22193918 0.30134124 0.02291825  0.08244136  -0.05184957 119 ASN   A O    
108  C  CB   . ASN   A 7   ? 0.38615718 0.27359989 0.22078787 -0.02838317 0.04331881  -0.06339671 119 ASN   A CB   
109  C  CG   . ASN   A 7   ? 0.45593578 0.32505974 0.33426207 -0.00527622 -0.02102115 -0.04592012 119 ASN   A CG   
110  O  OD1  . ASN   A 7   ? 0.55637443 0.31796953 0.32825938 -0.00205480 -0.05938052 -0.05782505 119 ASN   A OD1  
111  N  ND2  . ASN   A 7   ? 0.52497834 0.37466502 0.30149949 0.01477313  -0.05210574 0.01198608  119 ASN   A ND2  
112  H  H    . ASN   A 7   ? 0.26956543 0.22719979 0.17954132 -0.00655730 0.03919307  -0.06123777 119 ASN   A H    
113  H  HA   . ASN   A 7   ? 0.29242849 0.23728639 0.20296608 -0.00387054 0.05813377  -0.06935235 119 ASN   A HA   
114  H  HB2  . ASN   A 7   ? 0.37289920 0.27052116 0.23326838 -0.01744719 0.03888647  -0.06195481 119 ASN   A HB2  
115  H  HB3  . ASN   A 7   ? 0.37656251 0.27348718 0.23564531 -0.02055809 0.03748527  -0.06109876 119 ASN   A HB3  
116  H  HD21 . ASN   A 7   ? 0.50154728 0.36916381 0.31085891 0.01067494  -0.03992992 -0.00659168 119 ASN   A HD21 
117  H  HD22 . ASN   A 7   ? 0.51054907 0.36256656 0.31317604 0.01317380  -0.03874402 -0.00475037 119 ASN   A HD22 
118  N  N    . LEU   A 8   ? 0.24231538 0.20440333 0.19825277 0.01855562  0.02701555  -0.05744337 120 LEU   A N    
119  C  CA   . LEU   A 8   ? 0.25313610 0.20908171 0.18033126 0.02990261  -0.00627334 -0.07716803 120 LEU   A CA   
120  C  C    . LEU   A 8   ? 0.24794623 0.19147354 0.16611312 0.04516199  0.00518832  -0.07500280 120 LEU   A C    
121  O  O    . LEU   A 8   ? 0.23745082 0.18173695 0.14280239 0.03243270  0.00435958  -0.05203321 120 LEU   A O    
122  C  CB   . LEU   A 8   ? 0.29141828 0.20588639 0.16934848 0.03010076  -0.01461424 -0.07676026 120 LEU   A CB   
123  C  CG   . LEU   A 8   ? 0.31773013 0.21116164 0.20811684 0.02828912  -0.03778782 -0.06706029 120 LEU   A CG   
124  C  CD1  . LEU   A 8   ? 0.33661878 0.25219533 0.20152143 0.04595084  -0.03668438 -0.05702241 120 LEU   A CD1  
125  C  CD2  . LEU   A 8   ? 0.34399438 0.21505305 0.20400085 0.02569888  -0.03784162 -0.05364734 120 LEU   A CD2  
126  H  H    . LEU   A 8   ? 0.24734062 0.21008143 0.19736482 0.02018927  0.02618793  -0.06643892 120 LEU   A H    
127  H  HA   . LEU   A 8   ? 0.25497454 0.20596868 0.18148667 0.03115092  0.00099054  -0.07275555 120 LEU   A HA   
128  H  HB2  . LEU   A 8   ? 0.28758949 0.20607859 0.17848566 0.02881188  -0.01777042 -0.07600469 120 LEU   A HB2  
129  H  HB3  . LEU   A 8   ? 0.28931522 0.20729375 0.17861608 0.02900673  -0.01696318 -0.07474459 120 LEU   A HB3  
130  H  HG   . LEU   A 8   ? 0.31892383 0.21501473 0.19708356 0.03064097  -0.03331591 -0.06639999 120 LEU   A HG   
131  H  HD11 . LEU   A 8   ? 0.32982180 0.24047756 0.20448048 0.04097647  -0.03635952 -0.05955864 120 LEU   A HD11 
132  H  HD12 . LEU   A 8   ? 0.33063790 0.24261305 0.20506744 0.04079563  -0.03641930 -0.06039421 120 LEU   A HD12 
133  H  HD13 . LEU   A 8   ? 0.33108518 0.24461144 0.20680103 0.04246797  -0.03549108 -0.05641856 120 LEU   A HD13 
134  H  HD21 . LEU   A 8   ? 0.33944988 0.21402366 0.20581976 0.02655815  -0.03692747 -0.05718749 120 LEU   A HD21 
135  H  HD22 . LEU   A 8   ? 0.33708256 0.21536690 0.20650591 0.02699380  -0.03731420 -0.05608053 120 LEU   A HD22 
136  H  HD23 . LEU   A 8   ? 0.33699268 0.21302092 0.20589299 0.02684466  -0.03798629 -0.05701573 120 LEU   A HD23 
137  N  N    . PRO   A 9   ? 0.25140822 0.24030074 0.27258018 0.06362011  0.01998703  -0.07342441 121 PRO   A N    
138  C  CA   . PRO   A 9   ? 0.29951459 0.26656774 0.21334907 0.06196412  0.01614183  -0.08108269 121 PRO   A CA   
139  C  C    . PRO   A 9   ? 0.29596102 0.22426403 0.15944144 0.06655630  -0.02178825 -0.07732516 121 PRO   A C    
140  O  O    . PRO   A 9   ? 0.31029969 0.23366842 0.16056260 0.05808944  -0.06752791 -0.08947855 121 PRO   A O    
141  C  CB   . PRO   A 9   ? 0.32326818 0.30015340 0.28758270 0.06662013  0.04619114  -0.06685962 121 PRO   A CB   
142  C  CG   . PRO   A 9   ? 0.30185875 0.32980075 0.32524875 0.06905702  0.03378566  -0.08328354 121 PRO   A CG   
143  C  CD   . PRO   A 9   ? 0.26629132 0.27464747 0.29929486 0.05943033  0.02001891  -0.07391562 121 PRO   A CD   
144  H  HA   . PRO   A 9   ? 0.29363388 0.25520563 0.22114134 0.06306417  0.01462222  -0.07725414 121 PRO   A HA   
145  H  HB2  . PRO   A 9   ? 0.31260094 0.29728150 0.27573976 0.06578948  0.03649739  -0.07385270 121 PRO   A HB2  
146  H  HB3  . PRO   A 9   ? 0.31281394 0.29713482 0.28464538 0.06625016  0.03791954  -0.07191089 121 PRO   A HB3  
147  H  HG2  . PRO   A 9   ? 0.30064505 0.31073347 0.31193855 0.06473024  0.03372238  -0.07859780 121 PRO   A HG2  
148  H  HG3  . PRO   A 9   ? 0.29803863 0.31271696 0.31710476 0.06651936  0.03264789  -0.08210690 121 PRO   A HG3  
149  H  HD2  . PRO   A 9   ? 0.26835379 0.27482808 0.29627943 0.06212818  0.02258468  -0.07550845 121 PRO   A HD2  
150  H  HD3  . PRO   A 9   ? 0.26820654 0.27338660 0.29459703 0.06150604  0.02257977  -0.07540395 121 PRO   A HD3  
151  N  N    . LEU   A 10  ? 0.30501673 0.21081775 0.14124820 0.06632408  -0.02732880 -0.06712259 122 LEU   A N    
152  C  CA   . LEU   A 10  ? 0.30902752 0.18479690 0.11868113 0.06639320  -0.04172261 -0.07678082 122 LEU   A CA   
153  C  C    . LEU   A 10  ? 0.31188232 0.18361369 0.11169306 0.06504651  -0.03786764 -0.07326673 122 LEU   A C    
154  O  O    . LEU   A 10  ? 0.27082929 0.18746117 0.10869004 0.03441525  -0.01346148 -0.03867191 122 LEU   A O    
155  C  CB   . LEU   A 10  ? 0.31494623 0.17837167 0.10651889 0.05399254  -0.02681755 -0.04822076 122 LEU   A CB   
156  C  CG   . LEU   A 10  ? 0.30249858 0.14538938 0.12721978 0.03148483  -0.00943320 -0.03661164 122 LEU   A CG   
157  C  CD1  . LEU   A 10  ? 0.29833004 0.13830729 0.11732187 0.02358806  -0.00711166 -0.01600038 122 LEU   A CD1  
158  C  CD2  . LEU   A 10  ? 0.30311573 0.18223047 0.15894672 0.04328576  -0.02835055 -0.05285698 122 LEU   A CD2  
159  H  H    . LEU   A 10  ? 0.30373204 0.20717162 0.13989903 0.06598147  -0.02874766 -0.07127289 122 LEU   A H    
160  H  HA   . LEU   A 10  ? 0.30994356 0.18892126 0.11855996 0.06410433  -0.03710736 -0.06868752 122 LEU   A HA   
161  H  HB2  . LEU   A 10  ? 0.30924040 0.17222542 0.11099660 0.05153393  -0.02760078 -0.05097684 122 LEU   A HB2  
162  H  HB3  . LEU   A 10  ? 0.31100112 0.17287672 0.11386598 0.05173095  -0.02645712 -0.05172041 122 LEU   A HB3  
163  H  HG   . LEU   A 10  ? 0.30248830 0.15293096 0.12556991 0.03383161  -0.01374274 -0.03548776 122 LEU   A HG   
164  H  HD11 . LEU   A 10  ? 0.29881641 0.14031824 0.11799055 0.02553864  -0.00839526 -0.02085401 122 LEU   A HD11 
165  H  HD12 . LEU   A 10  ? 0.29896045 0.14212380 0.11999705 0.02526384  -0.00776801 -0.02050349 122 LEU   A HD12 
166  H  HD13 . LEU   A 10  ? 0.29822585 0.13881131 0.11892527 0.02424524  -0.00699422 -0.02016846 122 LEU   A HD13 
167  H  HD21 . LEU   A 10  ? 0.30335268 0.17295122 0.14939860 0.04058131  -0.02332647 -0.04835702 122 LEU   A HD21 
168  H  HD22 . LEU   A 10  ? 0.30464512 0.17570981 0.15115495 0.04229227  -0.02444346 -0.05019017 122 LEU   A HD22 
169  H  HD23 . LEU   A 10  ? 0.30336934 0.17537157 0.15044165 0.03986999  -0.02313883 -0.04612338 122 LEU   A HD23 
170  N  N    . PRO   A 11  ? 0.31635594 0.24096516 0.11939035 0.08311526  -0.05339438 -0.07722413 123 PRO   A N    
171  C  CA   . PRO   A 11  ? 0.29328877 0.20185727 0.09255126 0.06594861  -0.02471319 -0.05319333 123 PRO   A CA   
172  C  C    . PRO   A 11  ? 0.29578254 0.21546313 0.07825698 0.07420043  0.01118257  -0.01727151 123 PRO   A C    
173  O  O    . PRO   A 11  ? 0.41185132 0.32638374 0.06648045 0.12581514  0.01875894  0.00016016  123 PRO   A O    
174  C  CB   . PRO   A 11  ? 0.30821073 0.22336996 0.14548099 0.06865273  -0.04059958 -0.06681867 123 PRO   A CB   
175  C  CG   . PRO   A 11  ? 0.30990595 0.22390434 0.13973241 0.05361056  -0.03607919 -0.05660101 123 PRO   A CG   
176  C  CD   . PRO   A 11  ? 0.33837146 0.24978489 0.13802382 0.06985516  -0.05089973 -0.08247736 123 PRO   A CD   
177  H  HA   . PRO   A 11  ? 0.29958501 0.21185143 0.09856878 0.07062966  -0.02567714 -0.04952574 123 PRO   A HA   
178  H  HB2  . PRO   A 11  ? 0.30533546 0.22260757 0.13334835 0.06469357  -0.03626826 -0.06293792 123 PRO   A HB2  
179  H  HB3  . PRO   A 11  ? 0.30690703 0.21919473 0.13899052 0.06480885  -0.03962597 -0.06171748 123 PRO   A HB3  
180  H  HG2  . PRO   A 11  ? 0.31502131 0.22821006 0.14029624 0.05980755  -0.03979965 -0.06349901 123 PRO   A HG2  
181  H  HG3  . PRO   A 11  ? 0.31428215 0.22520663 0.13891321 0.05828307  -0.03875761 -0.06147540 123 PRO   A HG3  
182  H  HD2  . PRO   A 11  ? 0.32760578 0.24473774 0.13852140 0.06979532  -0.04848387 -0.07817550 123 PRO   A HD2  
183  H  HD3  . PRO   A 11  ? 0.32668322 0.24355948 0.13523322 0.06971696  -0.04789332 -0.07532250 123 PRO   A HD3  
184  N  N    . GLY   A 12  ? 0.27703243 0.17320588 0.14170542 0.03984759  0.01052520  -0.02318775 124 GLY   A N    
185  C  CA   . GLY   A 12  ? 0.28876057 0.17657857 0.18452963 0.02940486  0.04043119  0.00543626  124 GLY   A CA   
186  C  C    . GLY   A 12  ? 0.29287696 0.17183487 0.23614618 0.03915123  0.05004440  0.04261334  124 GLY   A C    
187  O  O    . GLY   A 12  ? 0.28727534 0.18806098 0.33887929 0.03644459  0.05945597  0.10237765  124 GLY   A O    
188  H  H    . GLY   A 12  ? 0.28369099 0.18538693 0.13823240 0.04650724  0.01528709  -0.01913460 124 GLY   A H    
189  H  HA2  . GLY   A 12  ? 0.28644803 0.17589147 0.18333612 0.03400312  0.03568932  0.00614920  124 GLY   A HA2  
190  H  HA3  . GLY   A 12  ? 0.28713250 0.17857088 0.18124796 0.03337679  0.03561427  0.00399053  124 GLY   A HA3  
191  N  N    . GLY   A 13  ? 0.30094215 0.16019425 0.19636631 0.03276246  0.07777797  0.04242266  125 GLY   A N    
192  C  CA   . GLY   A 13  ? 0.30919954 0.19273499 0.16533703 0.04030971  0.06300969  0.04684052  125 GLY   A CA   
193  C  C    . GLY   A 13  ? 0.27675360 0.20530114 0.16694197 0.01913182  0.03765560  0.04138273  125 GLY   A C    
194  O  O    . GLY   A 13  ? 0.28091305 0.35975122 0.17382586 0.05299033  0.03931789  0.07783666  125 GLY   A O    
195  H  H    . GLY   A 13  ? 0.29713294 0.16838233 0.19633585 0.03354369  0.06837250  0.04292033  125 GLY   A H    
196  H  HA2  . GLY   A 13  ? 0.30018345 0.19088520 0.17217498 0.03420700  0.06029832  0.04366421  125 GLY   A HA2  
197  H  HA3  . GLY   A 13  ? 0.30254960 0.18855658 0.17396212 0.03447687  0.06200288  0.04472089  125 GLY   A HA3  
198  N  N    . VAL   A 14  ? 0.24939543 0.15751038 0.10773182 0.00580332  0.03457079  0.03922825  126 VAL   A N    
199  C  CA   . VAL   A 14  ? 0.26974559 0.15675156 0.09321369 -0.00703931 0.02060125  0.02474036  126 VAL   A CA   
200  C  C    . VAL   A 14  ? 0.27240884 0.16455933 0.09323271 -0.02131749 0.01355617  0.01283346  126 VAL   A C    
201  O  O    . VAL   A 14  ? 0.31745681 0.15304969 0.10739095 -0.00927704 0.00496804  -0.01409270 126 VAL   A O    
202  C  CB   . VAL   A 14  ? 0.28874221 0.14897946 0.12035839 -0.01610654 0.02547428  0.01590393  126 VAL   A CB   
203  C  CG1  . VAL   A 14  ? 0.27808994 0.15906328 0.09697077 -0.02298913 0.01624191  0.02078540  126 VAL   A CG1  
204  C  CG2  . VAL   A 14  ? 0.28666371 0.14410901 0.12679915 -0.01798559 0.01630637  -0.00188756 126 VAL   A CG2  
205  H  H    . VAL   A 14  ? 0.25718778 0.16424939 0.11253872 0.00652994  0.03036275  0.03685340  126 VAL   A H    
206  H  HA   . VAL   A 14  ? 0.26893386 0.15828188 0.10033775 -0.00817575 0.02227993  0.02437820  126 VAL   A HA   
207  H  HB   . VAL   A 14  ? 0.28297457 0.15160437 0.11720628 -0.01594957 0.02080229  0.01400013  126 VAL   A HB   
208  H  HG11 . VAL   A 14  ? 0.28036079 0.15655181 0.09852929 -0.02116607 0.01912666  0.02051411  126 VAL   A HG11 
209  H  HG12 . VAL   A 14  ? 0.27928430 0.15663899 0.10175520 -0.02105363 0.01804780  0.01988181  126 VAL   A HG12 
210  H  HG13 . VAL   A 14  ? 0.28083995 0.15747789 0.10228214 -0.02171173 0.01836669  0.02025476  126 VAL   A HG13 
211  H  HG21 . VAL   A 14  ? 0.28685147 0.14439218 0.12526035 -0.01674236 0.01923817  0.00254516  126 VAL   A HG21 
212  H  HG22 . VAL   A 14  ? 0.28718531 0.14575195 0.12519713 -0.01706695 0.01907243  0.00278328  126 VAL   A HG22 
213  H  HG23 . VAL   A 14  ? 0.28682774 0.14547373 0.12726672 -0.01697749 0.01903882  0.00311086  126 VAL   A HG23 
214  N  N    . VAL   A 15  ? 0.27308077 0.17300545 0.10351792 -0.02896311 0.00908021  0.01881061  127 VAL   A N    
215  C  CA   . VAL   A 15  ? 0.28298810 0.15899254 0.10454375 -0.01969328 0.01948129  0.00441875  127 VAL   A CA   
216  C  C    . VAL   A 15  ? 0.28829721 0.13807105 0.10233586 -0.02833908 0.01616999  -0.00819937 127 VAL   A C    
217  O  O    . VAL   A 15  ? 0.29336235 0.11507985 0.10966768 -0.03204491 0.01886602  -0.01157968 127 VAL   A O    
218  C  CB   . VAL   A 15  ? 0.31120580 0.18345401 0.15912883 0.00312771  0.01658905  0.01743387  127 VAL   A CB   
219  C  CG1  . VAL   A 15  ? 0.31911027 0.15715171 0.13930346 0.02445824  0.00552686  0.02138785  127 VAL   A CG1  
220  C  CG2  . VAL   A 15  ? 0.34442663 0.22617921 0.20499682 -0.01803601 0.02239840  0.04183064  127 VAL   A CG2  
221  H  H    . VAL   A 15  ? 0.27552015 0.16802491 0.10232381 -0.02457355 0.01303090  0.01489758  127 VAL   A H    
222  H  HA   . VAL   A 15  ? 0.28529263 0.16039564 0.11055562 -0.01995434 0.01599333  0.00663262  127 VAL   A HA   
223  H  HB   . VAL   A 15  ? 0.31065473 0.17795464 0.15362842 -0.00071044 0.01370013  0.01880659  127 VAL   A HB   
224  H  HG11 . VAL   A 15  ? 0.31610987 0.16339149 0.14264950 0.01892800  0.00921525  0.02001169  127 VAL   A HG11 
225  H  HG12 . VAL   A 15  ? 0.31620577 0.16373724 0.14397757 0.01900982  0.00877171  0.02008933  127 VAL   A HG12 
226  H  HG13 . VAL   A 15  ? 0.31493613 0.16136570 0.14411680 0.02091222  0.00916977  0.01967259  127 VAL   A HG13 
227  H  HG21 . VAL   A 15  ? 0.33897167 0.21619342 0.19131783 -0.01627028 0.01981585  0.03463427  127 VAL   A HG21 
228  H  HG22 . VAL   A 15  ? 0.33806023 0.21235532 0.19420215 -0.01191949 0.02344305  0.03447561  127 VAL   A HG22 
229  H  HG23 . VAL   A 15  ? 0.33543536 0.21125764 0.19545063 -0.01261201 0.01778899  0.03278285  127 VAL   A HG23 
230  N  N    . PRO   A 16  ? 0.27030998 0.14718539 0.11051670 -0.03367242 0.01607930  -0.00425650 128 PRO   A N    
231  C  CA   . PRO   A 16  ? 0.28612307 0.15310386 0.12011622 -0.03058655 0.01668972  -0.00283566 128 PRO   A CA   
232  C  C    . PRO   A 16  ? 0.28488109 0.15242623 0.13603322 -0.03121203 0.00991818  0.01532759  128 PRO   A C    
233  O  O    . PRO   A 16  ? 0.31568223 0.17184491 0.13061711 -0.00064868 0.01770539  0.02740047  128 PRO   A O    
234  C  CB   . PRO   A 16  ? 0.29496017 0.17128035 0.14634787 -0.04415221 0.01749681  -0.00735280 128 PRO   A CB   
235  C  CG   . PRO   A 16  ? 0.29192480 0.16956210 0.15413719 -0.03747521 0.00321890  0.00294892  128 PRO   A CG   
236  C  CD   . PRO   A 16  ? 0.30055007 0.15720625 0.15816952 -0.03931197 0.00290867  0.00841850  128 PRO   A CD   
237  H  HA   . PRO   A 16  ? 0.28388745 0.15255310 0.12523088 -0.03273131 0.01560947  -0.00082133 128 PRO   A HA   
238  H  HB2  . PRO   A 16  ? 0.29262379 0.17090575 0.14202517 -0.04086756 0.01456474  -0.00506569 128 PRO   A HB2  
239  H  HB3  . PRO   A 16  ? 0.29262978 0.16754796 0.14213318 -0.04002630 0.01405303  -0.00414559 128 PRO   A HB3  
240  H  HG2  . PRO   A 16  ? 0.29486865 0.16804063 0.15323044 -0.03866448 0.00644072  0.00206621  128 PRO   A HG2  
241  H  HG3  . PRO   A 16  ? 0.29447523 0.16679887 0.15274839 -0.03891415 0.00635161  0.00197524  128 PRO   A HG3  
242  H  HD2  . PRO   A 16  ? 0.29141200 0.15972875 0.14562146 -0.03805202 0.00644872  0.00452866  128 PRO   A HD2  
243  H  HD3  . PRO   A 16  ? 0.29104966 0.15849113 0.14745381 -0.03777274 0.00717050  0.00259625  128 PRO   A HD3  
244  N  N    . ARG   A 17  ? 0.28223267 0.16019391 0.13755020 -0.02792526 0.01873331  0.01405744  129 ARG   A N    
245  C  CA   . ARG   A 17  ? 0.29976526 0.18477622 0.13353097 -0.03437258 0.00348789  0.03520277  129 ARG   A CA   
246  C  C    . ARG   A 17  ? 0.27608141 0.14393491 0.13424724 -0.02052914 0.00021500  0.03457519  129 ARG   A C    
247  O  O    . ARG   A 17  ? 0.29439142 0.18348852 0.17242824 -0.02295535 -0.01149390 0.04487438  129 ARG   A O    
248  C  CB   . ARG   A 17  ? 0.32944036 0.17273194 0.12889375 -0.03118633 0.01299699  0.01478801  129 ARG   A CB   
249  C  CG   . ARG   A 17  ? 0.38280106 0.19345003 0.20401680 -0.05860266 0.01408205  0.05022366  129 ARG   A CG   
250  C  CD   . ARG   A 17  ? 0.45083261 0.24200049 0.17504188 -0.05845862 0.03399499  0.09842169  129 ARG   A CD   
251  N  NE   . ARG   A 17  ? 0.54339671 0.28729689 0.29447553 -0.01237186 0.04679027  0.10533208  129 ARG   A NE   
252  C  CZ   . ARG   A 17  ? 0.58470660 0.48606163 0.38051450 0.07877305  0.02435835  0.06545698  129 ARG   A CZ   
253  N  NH1  . ARG   A 17  ? 0.67181349 0.54991436 0.39048523 0.10299625  0.03945138  0.13238746  129 ARG   A NH1  
254  N  NH2  . ARG   A 17  ? 0.60977924 0.52611810 0.41578159 0.09779891  0.06460547  0.02877454  129 ARG   A NH2  
255  H  H    . ARG   A 17  ? 0.28477418 0.16135992 0.13608505 -0.02842688 0.01372424  0.01821635  129 ARG   A H    
256  H  HA   . ARG   A 17  ? 0.29843065 0.17109260 0.13841194 -0.03124389 0.00524850  0.02991698  129 ARG   A HA   
257  H  HB2  . ARG   A 17  ? 0.32865092 0.17513794 0.13267538 -0.03408683 0.01461326  0.02056024  129 ARG   A HB2  
258  H  HB3  . ARG   A 17  ? 0.32868862 0.17796600 0.13920245 -0.03616451 0.01056209  0.02505283  129 ARG   A HB3  
259  H  HG2  . ARG   A 17  ? 0.37905294 0.19825152 0.18284686 -0.05340118 0.01521613  0.05484407  129 ARG   A HG2  
260  H  HG3  . ARG   A 17  ? 0.38104752 0.19629629 0.18086527 -0.05127855 0.01978106  0.05186239  129 ARG   A HG3  
261  H  HD2  . ARG   A 17  ? 0.44223857 0.23616490 0.19996333 -0.04930973 0.03028654  0.08772070  129 ARG   A HD2  
262  H  HD3  . ARG   A 17  ? 0.43898803 0.23336914 0.19869481 -0.05173451 0.03316094  0.08849543  129 ARG   A HD3  
263  H  HE   . ARG   A 17  ? 0.51959199 0.29724655 0.27876875 -0.01019191 0.04867540  0.09408873  129 ARG   A HE   
264  H  HH11 . ARG   A 17  ? 0.64661860 0.53044999 0.38866767 0.08710307  0.03366854  0.11217570  129 ARG   A HH11 
265  H  HH12 . ARG   A 17  ? 0.63422859 0.51731718 0.39254764 0.08698851  0.03106897  0.11827035  129 ARG   A HH12 
266  H  HH21 . ARG   A 17  ? 0.60399896 0.51286244 0.40618318 0.09037450  0.05359752  0.04107706  129 ARG   A HH21 
267  H  HH22 . ARG   A 17  ? 0.60505468 0.50772232 0.41236472 0.08784905  0.05954730  0.03915306  129 ARG   A HH22 
268  N  N    . MET   A 18  ? 0.27030897 0.14160974 0.10955134 -0.02199877 -0.00145440 0.02067177  130 MET   A N    
269  C  CA   . MET   A 18  ? 0.27758569 0.15104334 0.11729921 -0.01286969 0.00711197  -0.00347582 130 MET   A CA   
270  C  C    . MET   A 18  ? 0.27396530 0.12589426 0.15746027 -0.00719982 -0.00984311 0.00377390  130 MET   A C    
271  O  O    . MET   A 18  ? 0.28153890 0.14066675 0.15307909 -0.00797735 0.00441679  -0.03240802 130 MET   A O    
272  C  CB   . MET   A 18  ? 0.29704657 0.16598269 0.12442507 -0.01138981 -0.00560438 0.01764530  130 MET   A CB   
273  C  CG   . MET   A 18  ? 0.31300828 0.18973289 0.14005673 -0.02083997 -0.00262563 0.03624213  130 MET   A CG   
274  S  SD   . MET   A 18  ? 0.33254930 0.35000879 0.13273583 -0.03496480 -0.00468349 0.05411499  130 MET   A SD   
275  C  CE   . MET   A 18  ? 0.34816459 0.35974994 0.21445744 -0.02789710 0.01744944  0.02171942  130 MET   A CE   
276  H  H    . MET   A 18  ? 0.27127632 0.14450116 0.11466286 -0.02030374 -0.00117822 0.01829470  130 MET   A H    
277  H  HA   . MET   A 18  ? 0.28047198 0.14775610 0.12570316 -0.01370756 0.00069204  0.00578634  130 MET   A HA   
278  H  HB2  . MET   A 18  ? 0.29497141 0.16678235 0.12552042 -0.01372882 -0.00199572 0.01648253  130 MET   A HB2  
279  H  HB3  . MET   A 18  ? 0.29411256 0.16599162 0.12575127 -0.01315051 -0.00230544 0.01631727  130 MET   A HB3  
280  H  HG2  . MET   A 18  ? 0.31094262 0.19681987 0.13441174 -0.02002601 -0.00348688 0.03247650  130 MET   A HG2  
281  H  HG3  . MET   A 18  ? 0.31122163 0.20147240 0.13481078 -0.02050609 -0.00346561 0.03367352  130 MET   A HG3  
282  H  HE1  . MET   A 18  ? 0.34573951 0.35651284 0.20839724 -0.02955793 0.01057134  0.02864296  130 MET   A HE1  
283  H  HE2  . MET   A 18  ? 0.34514862 0.35649067 0.19623992 -0.02991574 0.01161468  0.02917630  130 MET   A HE2  
284  H  HE3  . MET   A 18  ? 0.34863648 0.35662773 0.19810359 -0.03084171 0.01228210  0.02743505  130 MET   A HE3  
285  N  N    . LEU   A 19  ? 0.27595165 0.12907661 0.14469999 0.00036472  -0.01475048 0.00211735  131 LEU   A N    
286  C  CA   . LEU   A 19  ? 0.26391941 0.14968757 0.16225764 -0.00080615 -0.00386455 -0.02205845 131 LEU   A CA   
287  C  C    . LEU   A 19  ? 0.25390074 0.15837337 0.16577853 0.01609791  0.00786276  -0.02518792 131 LEU   A C    
288  O  O    . LEU   A 19  ? 0.26306981 0.15629137 0.23425636 0.00801799  -0.01571734 -0.00515343 131 LEU   A O    
289  C  CB   . LEU   A 19  ? 0.29834601 0.18386245 0.17569798 0.00143143  -0.01061800 -0.00590569 131 LEU   A CB   
290  C  CG   . LEU   A 19  ? 0.36177224 0.21034241 0.17122810 -0.00296058 -0.02401155 -0.01306774 131 LEU   A CG   
291  C  CD1  . LEU   A 19  ? 0.39192533 0.21427354 0.14548974 0.02378429  -0.00597413 -0.01472531 131 LEU   A CD1  
292  C  CD2  . LEU   A 19  ? 0.42180333 0.21400334 0.19455844 0.02256275  -0.05305623 -0.00706492 131 LEU   A CD2  
293  H  H    . LEU   A 19  ? 0.27261090 0.13285606 0.15091421 -0.00151184 -0.01112080 -0.00253353 131 LEU   A H    
294  H  HA   . LEU   A 19  ? 0.26931593 0.15202706 0.16074900 0.00318031  -0.00480851 -0.01554178 131 LEU   A HA   
295  H  HB2  . LEU   A 19  ? 0.30027837 0.17940605 0.17131084 0.00018967  -0.01150379 -0.01127007 131 LEU   A HB2  
296  H  HB3  . LEU   A 19  ? 0.29953611 0.17913619 0.17154330 0.00044475  -0.01153730 -0.01120592 131 LEU   A HB3  
297  H  HG   . LEU   A 19  ? 0.36065647 0.20455371 0.17118043 0.00568844  -0.02200770 -0.01043013 131 LEU   A HG   
298  H  HD11 . LEU   A 19  ? 0.38067159 0.21160410 0.15042691 0.01668307  -0.01194298 -0.01360533 131 LEU   A HD11 
299  H  HD12 . LEU   A 19  ? 0.38163704 0.21149729 0.15135641 0.01654588  -0.01145518 -0.01534344 131 LEU   A HD12 
300  H  HD13 . LEU   A 19  ? 0.38421619 0.21466647 0.15272406 0.01844443  -0.01218303 -0.01511854 131 LEU   A HD13 
301  H  HD21 . LEU   A 19  ? 0.40821001 0.21569449 0.18880518 0.01426058  -0.04478166 -0.00876744 131 LEU   A HD21 
302  H  HD22 . LEU   A 19  ? 0.40731725 0.21788198 0.18868753 0.01844311  -0.04616586 -0.01062487 131 LEU   A HD22 
303  H  HD23 . LEU   A 19  ? 0.40447584 0.21624941 0.18873468 0.01535771  -0.04463626 -0.00776985 131 LEU   A HD23 
304  N  N    . ILE   A 20  ? 0.24354877 0.15761143 0.15680782 0.00718539  0.00904338  -0.03669384 132 ILE   A N    
305  C  CA   . ILE   A 20  ? 0.24576977 0.15568042 0.18071997 0.00093416  0.01603090  -0.04196278 132 ILE   A CA   
306  C  C    . ILE   A 20  ? 0.24349456 0.16573612 0.15507011 -0.00188289 0.01312391  -0.03288418 132 ILE   A C    
307  O  O    . ILE   A 20  ? 0.26091167 0.18667945 0.18349937 0.00764374  0.02066097  -0.07791504 132 ILE   A O    
308  C  CB   . ILE   A 20  ? 0.27593544 0.17471483 0.20491333 -0.00336593 0.01272020  -0.01991816 132 ILE   A CB   
309  C  CG1  . ILE   A 20  ? 0.30754852 0.22295903 0.20385821 -0.00146980 0.03514242  -0.03067053 132 ILE   A CG1  
310  C  CG2  . ILE   A 20  ? 0.31093544 0.23448421 0.21122731 -0.01983063 0.00499800  0.02994888  132 ILE   A CG2  
311  C  CD1  . ILE   A 20  ? 0.36018923 0.26636147 0.24378839 0.01084643  0.00105005  -0.02322889 132 ILE   A CD1  
312  H  H    . ILE   A 20  ? 0.24515039 0.15721294 0.16385283 0.00797610  0.01000070  -0.03496164 132 ILE   A H    
313  H  HA   . ILE   A 20  ? 0.24725524 0.16002502 0.17485952 0.00187236  0.01408911  -0.03599875 132 ILE   A HA   
314  H  HB   . ILE   A 20  ? 0.27690333 0.18566121 0.20019606 -0.00398706 0.01606608  -0.01846091 132 ILE   A HB   
315  H  HG12 . ILE   A 20  ? 0.30686578 0.21742998 0.20559944 -0.00104083 0.02581032  -0.02451246 132 ILE   A HG12 
316  H  HG13 . ILE   A 20  ? 0.30833349 0.22002880 0.21030283 -0.00205207 0.02425399  -0.02809405 132 ILE   A HG13 
317  H  HG21 . ILE   A 20  ? 0.30034599 0.21619931 0.20820947 -0.01484291 0.00647558  0.01705832  132 ILE   A HG21 
318  H  HG22 . ILE   A 20  ? 0.30608249 0.21719018 0.21011373 -0.01723704 0.00647667  0.01682754  132 ILE   A HG22 
319  H  HG23 . ILE   A 20  ? 0.30016708 0.22339860 0.21488535 -0.01512685 0.00706050  0.02267910  132 ILE   A HG23 
320  H  HD11 . ILE   A 20  ? 0.34454849 0.25453451 0.24029323 0.00833773  0.00745074  -0.02804256 132 ILE   A HD11 
321  H  HD12 . ILE   A 20  ? 0.34307531 0.25819352 0.23750164 0.00697418  0.01110661  -0.02113659 132 ILE   A HD12 
322  H  HD13 . ILE   A 20  ? 0.34386510 0.25549692 0.23399121 0.00585953  0.01162591  -0.02606113 132 ILE   A HD13 
323  N  N    . THR   A 21  ? 0.24315339 0.14904374 0.17106268 -0.00598271 0.03082723  -0.05191563 133 THR   A N    
324  C  CA   . THR   A 21  ? 0.24529621 0.13744780 0.15651634 -0.00432832 0.02636437  -0.04497492 133 THR   A CA   
325  C  C    . THR   A 21  ? 0.24213421 0.15563409 0.16861430 -0.00596362 0.02509081  -0.03053022 133 THR   A C    
326  O  O    . THR   A 21  ? 0.25891864 0.16857146 0.20630647 -0.00275027 0.04706442  -0.02632649 133 THR   A O    
327  C  CB   . THR   A 21  ? 0.25578812 0.16189232 0.18249626 -0.01499305 -0.00509994 -0.04702688 133 THR   A CB   
328  O  OG1  . THR   A 21  ? 0.27313748 0.20943613 0.18372080 -0.00915183 -0.00476654 -0.01299429 133 THR   A OG1  
329  C  CG2  . THR   A 21  ? 0.27531630 0.19567217 0.14659125 -0.01575938 0.00821225  -0.04816351 133 THR   A CG2  
330  H  H    . THR   A 21  ? 0.24204212 0.14973469 0.16385132 -0.00363367 0.02658297  -0.04645606 133 THR   A H    
331  H  HA   . THR   A 21  ? 0.24317308 0.14672858 0.16460481 -0.00547002 0.02296050  -0.04432437 133 THR   A HA   
332  H  HB   . THR   A 21  ? 0.26056316 0.17026210 0.17158309 -0.01245750 0.00299327  -0.04084399 133 THR   A HB   
333  H  HG1  . THR   A 21  ? 0.22176673 0.22176673 0.22176673 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
334  H  HG21 . THR   A 21  ? 0.26987475 0.18584307 0.15748513 -0.01540007 0.00424099  -0.04788759 133 THR   A HG21 
335  H  HG22 . THR   A 21  ? 0.27052754 0.18581446 0.15721084 -0.01558780 0.00384343  -0.04755598 133 THR   A HG22 
336  H  HG23 . THR   A 21  ? 0.27020910 0.18653886 0.15772127 -0.01470146 0.00394209  -0.04824189 133 THR   A HG23 
337  N  N    . ILE   A 22  ? 0.23228899 0.15427805 0.13156097 -0.00296660 0.03206683  -0.02844143 134 ILE   A N    
338  C  CA   . ILE   A 22  ? 0.23341803 0.15078650 0.13312550 -0.00689427 0.03010002  -0.03913359 134 ILE   A CA   
339  C  C    . ILE   A 22  ? 0.22534277 0.12806375 0.11854080 -0.00113635 0.01798102  -0.01847032 134 ILE   A C    
340  O  O    . ILE   A 22  ? 0.24283506 0.16734700 0.12852067 -0.01189009 0.02398273  -0.02234118 134 ILE   A O    
341  C  CB   . ILE   A 22  ? 0.25863063 0.14959371 0.12298836 0.00935580  0.03426154  -0.04283656 134 ILE   A CB   
342  C  CG1  . ILE   A 22  ? 0.30251658 0.16641021 0.16184467 -0.02803205 0.02008545  -0.03902511 134 ILE   A CG1  
343  C  CG2  . ILE   A 22  ? 0.26873279 0.16361608 0.11281701 0.01634310  0.00608227  -0.01697811 134 ILE   A CG2  
344  C  CD1  . ILE   A 22  ? 0.34704572 0.22862405 0.20327871 -0.01039715 0.02470982  -0.02139074 134 ILE   A CD1  
345  H  H    . ILE   A 22  ? 0.23218027 0.15360300 0.13924874 -0.00436662 0.03137923  -0.03158057 134 ILE   A H    
346  H  HA   . ILE   A 22  ? 0.23566051 0.14744499 0.12836029 -0.00217271 0.02906606  -0.03356674 134 ILE   A HA   
347  H  HB   . ILE   A 22  ? 0.25571159 0.15449527 0.12624112 0.00363579  0.02980996  -0.03787311 134 ILE   A HB   
348  H  HG12 . ILE   A 22  ? 0.29553837 0.16894381 0.15732154 -0.01758522 0.02581811  -0.03591416 134 ILE   A HG12 
349  H  HG13 . ILE   A 22  ? 0.29767516 0.17183706 0.15883063 -0.01667306 0.02596933  -0.03790635 134 ILE   A HG13 
350  H  HG21 . ILE   A 22  ? 0.26432961 0.15849409 0.11404921 0.01589331  0.01136472  -0.02196899 134 ILE   A HG21 
351  H  HG22 . ILE   A 22  ? 0.26880217 0.15987651 0.11702598 0.01391426  0.01210101  -0.02316841 134 ILE   A HG22 
352  H  HG23 . ILE   A 22  ? 0.26592401 0.16042803 0.11786278 0.01481624  0.01372263  -0.02202710 134 ILE   A HG23 
353  H  HD11 . ILE   A 22  ? 0.33378860 0.21105419 0.19022320 -0.00948211 0.02153023  -0.02903227 134 ILE   A HD11 
354  H  HD12 . ILE   A 22  ? 0.33294097 0.21070123 0.19770443 -0.01189838 0.02777141  -0.02186716 134 ILE   A HD12 
355  H  HD13 . ILE   A 22  ? 0.33031559 0.20829928 0.19135635 -0.01566738 0.02592736  -0.02904884 134 ILE   A HD13 
356  N  N    . LEU   A 23  ? 0.22423889 0.15133245 0.07927405 0.00817718  0.02022995  -0.02186715 135 LEU   A N    
357  C  CA   . LEU   A 23  ? 0.23078312 0.17442395 0.08212698 0.00207370  0.01682166  -0.02332657 135 LEU   A CA   
358  C  C    . LEU   A 23  ? 0.23521860 0.15763825 0.09962907 -0.00493415 0.01308272  -0.03221340 135 LEU   A C    
359  O  O    . LEU   A 23  ? 0.25624129 0.15980306 0.10985590 -0.01390632 0.02831993  -0.02160468 135 LEU   A O    
360  C  CB   . LEU   A 23  ? 0.24456584 0.21713200 0.09657510 0.01704822  0.01141766  -0.00038224 135 LEU   A CB   
361  C  CG   . LEU   A 23  ? 0.28993458 0.26504245 0.12488130 0.03391182  -0.00385725 0.02027477  135 LEU   A CG   
362  C  CD1  . LEU   A 23  ? 0.32830307 0.29891178 0.13188240 0.07310130  0.03565847  0.02836329  135 LEU   A CD1  
363  C  CD2  . LEU   A 23  ? 0.28001767 0.30153573 0.18741454 0.06080467  0.03551964  0.05760609  135 LEU   A CD2  
364  H  H    . LEU   A 23  ? 0.22338401 0.15024044 0.08710528 0.00584625  0.02157893  -0.02276392 135 LEU   A H    
365  H  HA   . LEU   A 23  ? 0.23139286 0.17238018 0.08698981 0.00468747  0.01735984  -0.02096257 135 LEU   A HA   
366  H  HB2  . LEU   A 23  ? 0.24687135 0.21180438 0.09621997 0.01677760  0.01071879  -0.00238350 135 LEU   A HB2  
367  H  HB3  . LEU   A 23  ? 0.24775457 0.21294373 0.09780663 0.01727438  0.01089875  -0.00126966 135 LEU   A HB3  
368  H  HG   . LEU   A 23  ? 0.27963647 0.25880873 0.12402625 0.03872314  0.01024658  0.02105817  135 LEU   A HG   
369  H  HD11 . LEU   A 23  ? 0.31442243 0.28799915 0.12743077 0.06290490  0.02624864  0.02488684  135 LEU   A HD11 
370  H  HD12 . LEU   A 23  ? 0.31561035 0.29077026 0.13098381 0.06327160  0.02420793  0.02428941  135 LEU   A HD12 
371  H  HD13 . LEU   A 23  ? 0.31835285 0.29166469 0.13236062 0.06570170  0.02757985  0.02887304  135 LEU   A HD13 
372  H  HD21 . LEU   A 23  ? 0.28326946 0.28648913 0.16289207 0.05254950  0.02389116  0.04526407  135 LEU   A HD21 
373  H  HD22 . LEU   A 23  ? 0.28658623 0.29329386 0.16710660 0.05691032  0.02679382  0.05003464  135 LEU   A HD22 
374  H  HD23 . LEU   A 23  ? 0.28429037 0.29062814 0.16545498 0.05377919  0.02355998  0.04504834  135 LEU   A HD23 
375  N  N    . GLY   A 24  ? 0.25512359 0.16224140 0.10167304 -0.01088664 0.03545519  -0.03882737 136 GLY   A N    
376  C  CA   . GLY   A 24  ? 0.28701702 0.17061473 0.12613407 -0.01992898 0.05409056  -0.04159658 136 GLY   A CA   
377  C  C    . GLY   A 24  ? 0.28501660 0.17576866 0.10800574 -0.02508837 0.05415094  -0.04007830 136 GLY   A C    
378  O  O    . GLY   A 24  ? 0.33205000 0.17131896 0.11820160 -0.02223871 0.08837086  -0.04166884 136 GLY   A O    
379  H  H    . GLY   A 24  ? 0.25408888 0.16278842 0.10382614 -0.01113081 0.03477810  -0.03738515 136 GLY   A H    
380  H  HA2  . GLY   A 24  ? 0.28137797 0.16948718 0.11684091 -0.01895660 0.04946391  -0.04067202 136 GLY   A HA2  
381  H  HA3  . GLY   A 24  ? 0.27988270 0.17001846 0.12182409 -0.01924147 0.05153383  -0.04196756 136 GLY   A HA3  
382  N  N    . THR   A 25  ? 0.30224383 0.16618873 0.08758033 -0.01982029 0.04445767  -0.03961329 137 THR   A N    
383  C  CA   . THR   A 25  ? 0.30012295 0.17295364 0.10799397 -0.01026663 0.04665162  -0.04972221 137 THR   A CA   
384  C  C    . THR   A 25  ? 0.29513445 0.17306747 0.11158326 -0.00758521 0.04522623  -0.04441184 137 THR   A C    
385  O  O    . THR   A 25  ? 0.30778223 0.20885113 0.09534981 -0.00827336 0.05186107  -0.04253393 137 THR   A O    
386  C  CB   . THR   A 25  ? 0.32999581 0.17777625 0.17175139 -0.02430941 0.01634951  -0.04209564 137 THR   A CB   
387  O  OG1  . THR   A 25  ? 0.34082505 0.18030091 0.23661126 -0.02209902 -0.02151633 -0.02723639 137 THR   A OG1  
388  C  CG2  . THR   A 25  ? 0.32790136 0.16363172 0.20728244 -0.03799782 -0.01040839 -0.05571381 137 THR   A CG2  
389  H  H    . THR   A 25  ? 0.29684362 0.16971886 0.09349789 -0.01920670 0.04880481  -0.04126231 137 THR   A H    
390  H  HA   . THR   A 25  ? 0.30229679 0.17184570 0.11158881 -0.01443991 0.04287252  -0.04445866 137 THR   A HA   
391  H  HB   . THR   A 25  ? 0.32415840 0.17437632 0.17421100 -0.02398254 0.01286885  -0.04273329 137 THR   A HB   
392  H  HG1  . THR   A 25  ? 0.25330293 0.25330293 0.25330293 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
393  H  HG21 . THR   A 25  ? 0.32551935 0.16683005 0.19769678 -0.03546190 -0.00484100 -0.05302126 137 THR   A HG21 
394  H  HG22 . THR   A 25  ? 0.32953697 0.16790737 0.20052795 -0.03303097 -0.00581430 -0.05360768 137 THR   A HG22 
395  H  HG23 . THR   A 25  ? 0.32825658 0.16794232 0.19810954 -0.03435876 -0.00319220 -0.05272381 137 THR   A HG23 
396  N  N    . VAL   A 26  ? 0.27111915 0.17293963 0.10550816 -0.00903071 0.02626891  -0.03436152 138 VAL   A N    
397  C  CA   . VAL   A 26  ? 0.28360569 0.17763680 0.10032258 -0.01098413 -0.00036053 -0.05403918 138 VAL   A CA   
398  C  C    . VAL   A 26  ? 0.30187982 0.18163694 0.15038335 -0.01200368 -0.01319599 -0.06269464 138 VAL   A C    
399  O  O    . VAL   A 26  ? 0.33998007 0.22796211 0.15547083 -0.01463040 -0.01450615 -0.08921556 138 VAL   A O    
400  C  CB   . VAL   A 26  ? 0.29816344 0.20732552 0.12725550 -0.00135682 -0.01485292 -0.06985451 138 VAL   A CB   
401  C  CG1  . VAL   A 26  ? 0.30869362 0.22747068 0.12565686 0.01036394  -0.02769705 -0.07133695 138 VAL   A CG1  
402  C  CG2  . VAL   A 26  ? 0.30246103 0.22817804 0.17287166 -0.00964785 0.00279149  -0.07169026 138 VAL   A CG2  
403  H  H    . VAL   A 26  ? 0.27916262 0.17442973 0.10246763 -0.00955706 0.02583645  -0.04020014 138 VAL   A H    
404  H  HA   . VAL   A 26  ? 0.28702885 0.18106619 0.10388971 -0.00938079 0.00007439  -0.05751102 138 VAL   A HA   
405  H  HB   . VAL   A 26  ? 0.29761106 0.20705491 0.12593490 -0.00241809 -0.01143685 -0.06798325 138 VAL   A HB   
406  H  HG11 . VAL   A 26  ? 0.30647716 0.22202897 0.12603338 0.00734657  -0.02402841 -0.07092462 138 VAL   A HG11 
407  H  HG12 . VAL   A 26  ? 0.30798343 0.22416492 0.12784249 0.00872270  -0.02389883 -0.07021706 138 VAL   A HG12 
408  H  HG13 . VAL   A 26  ? 0.30776265 0.22207670 0.12666826 0.00728004  -0.02450206 -0.07074465 138 VAL   A HG13 
409  H  HG21 . VAL   A 26  ? 0.30155975 0.22199780 0.16018727 -0.00745251 -0.00171262 -0.07025852 138 VAL   A HG21 
410  H  HG22 . VAL   A 26  ? 0.30282745 0.22295037 0.16147716 -0.00935609 0.00043200  -0.07173125 138 VAL   A HG22 
411  H  HG23 . VAL   A 26  ? 0.30149186 0.22348592 0.16693197 -0.00762876 -0.00195419 -0.06740458 138 VAL   A HG23 
412  N  N    . LYS   A 27  ? 0.30622703 0.16877165 0.14039719 -0.00593454 -0.02443714 -0.05996562 139 LYS   A N    
413  C  CA   . LYS   A 27  ? 0.32741082 0.18371382 0.19417222 -0.01986502 -0.00846880 -0.04954167 139 LYS   A CA   
414  C  C    . LYS   A 27  ? 0.35800835 0.17190768 0.24174556 0.00832322  -0.03722464 -0.05644634 139 LYS   A C    
415  O  O    . LYS   A 27  ? 0.38000441 0.18166387 0.19335103 0.00091804  -0.01240144 -0.07905294 139 LYS   A O    
416  C  CB   . LYS   A 27  ? 0.34979609 0.18278231 0.24744716 -0.03050325 -0.00500916 -0.01099403 139 LYS   A CB   
417  C  CG   . LYS   A 27  ? 0.38497001 0.21106936 0.27765560 -0.01392559 0.00916475  0.00028363  139 LYS   A CG   
418  C  CD   . LYS   A 27  ? 0.46109685 0.25908819 0.34559262 -0.02872076 0.00557375  0.02157716  139 LYS   A CD   
419  C  CE   . LYS   A 27  ? 0.51478606 0.29884523 0.40988886 -0.03117891 0.03599535  0.04384981  139 LYS   A CE   
420  N  NZ   . LYS   A 27  ? 0.57809496 0.39580256 0.45225403 -0.08152152 0.03310699  0.05855794  139 LYS   A NZ   
421  H  H    . LYS   A 27  ? 0.30721095 0.17276376 0.14410633 -0.01173014 -0.02173698 -0.06184363 139 LYS   A H    
422  H  HA   . LYS   A 27  ? 0.33213618 0.17929855 0.19791462 -0.01397867 -0.01565977 -0.04722615 139 LYS   A HA   
423  H  HB2  . LYS   A 27  ? 0.34986690 0.18674013 0.23860557 -0.02495242 -0.00311022 -0.01810949 139 LYS   A HB2  
424  H  HB3  . LYS   A 27  ? 0.34974682 0.18233566 0.23995632 -0.02608265 -0.00378691 -0.01884608 139 LYS   A HB3  
425  H  HG2  . LYS   A 27  ? 0.38717157 0.21099186 0.27916706 -0.02050559 0.00537090  0.00104884  139 LYS   A HG2  
426  H  HG3  . LYS   A 27  ? 0.38610354 0.21326193 0.27762410 -0.01926927 0.00496720  0.00092010  139 LYS   A HG3  
427  H  HD2  . LYS   A 27  ? 0.44868353 0.25237274 0.33688119 -0.02472512 0.01336446  0.02068197  139 LYS   A HD2  
428  H  HD3  . LYS   A 27  ? 0.44757366 0.25626561 0.33616236 -0.02455263 0.01244225  0.02045008  139 LYS   A HD3  
429  H  HE2  . LYS   A 27  ? 0.51542121 0.30457613 0.40156382 -0.03879999 0.03167463  0.04198914  139 LYS   A HE2  
430  H  HE3  . LYS   A 27  ? 0.51044101 0.30200419 0.39827427 -0.03986715 0.02866025  0.04054841  139 LYS   A HE3  
431  H  HZ1  . LYS   A 27  ? 0.55956346 0.38221109 0.43800730 -0.06344705 0.03350770  0.05451697  139 LYS   A HZ1  
432  H  HZ2  . LYS   A 27  ? 0.56265628 0.36724395 0.43996045 -0.06424340 0.03602881  0.05515995  139 LYS   A HZ2  
433  H  HZ3  . LYS   A 27  ? 0.56921750 0.37004116 0.44032216 -0.07014711 0.02968431  0.05657283  139 LYS   A HZ3  
434  N  N    A PRO   A 28  ? 0.37193477 0.20098923 0.28349757 0.00479287  -0.04933217 -0.07395226 140 PRO   A N    
435  N  N    B PRO   A 28  ? 0.38174528 0.19357948 0.33358312 -0.00486958 -0.04073583 -0.07266665 140 PRO   A N    
436  C  CA   A PRO   A 28  ? 0.38726544 0.20179164 0.30578884 0.01903746  -0.04172978 -0.07235789 140 PRO   A CA   
437  C  CA   B PRO   A 28  ? 0.40324339 0.17875193 0.38388401 0.00253185  -0.03549428 -0.07520826 140 PRO   A CA   
438  C  C    A PRO   A 28  ? 0.39176899 0.16854510 0.29348862 0.02509461  -0.04480651 -0.08155906 140 PRO   A C    
439  C  C    B PRO   A 28  ? 0.41323036 0.12116787 0.43029517 0.00199275  -0.05125105 -0.06989095 140 PRO   A C    
440  O  O    A PRO   A 28  ? 0.39547068 0.15351653 0.31924587 0.05811611  -0.04145737 -0.07398551 140 PRO   A O    
441  O  O    B PRO   A 28  ? 0.37972453 0.11229081 0.46841443 -0.01147991 -0.06170519 -0.05502708 140 PRO   A O    
442  C  CB   A PRO   A 28  ? 0.40359771 0.23612911 0.31103170 0.00876851  -0.05519569 -0.07614098 140 PRO   A CB   
443  C  CB   B PRO   A 28  ? 0.41502500 0.22623399 0.40177560 -0.00330136 -0.03832595 -0.08208514 140 PRO   A CB   
444  C  CG   A PRO   A 28  ? 0.38200444 0.23895310 0.33369258 0.00687930  -0.06740795 -0.08064590 140 PRO   A CG   
445  C  CG   B PRO   A 28  ? 0.41233718 0.22566143 0.38749677 -0.00573289 -0.03698298 -0.07540930 140 PRO   A CG   
446  C  CD   A PRO   A 28  ? 0.37633866 0.23136909 0.31670123 0.00974091  -0.05591264 -0.07442518 140 PRO   A CD   
447  C  CD   B PRO   A 28  ? 0.38878161 0.22092113 0.36430007 -0.00323134 -0.03907773 -0.07148396 140 PRO   A CD   
448  H  HA   A PRO   A 28  ? 0.38760325 0.20075712 0.29941913 0.01583377  -0.04588968 -0.07523082 140 PRO   A HA   
449  H  HA   B PRO   A 28  ? 0.40190065 0.17902383 0.38248491 -0.00003358 -0.03930627 -0.07478780 140 PRO   A HA   
450  H  HB2  A PRO   A 28  ? 0.39548573 0.23282129 0.31485578 0.00981397  -0.05453444 -0.07743809 140 PRO   A HB2  
451  H  HB2  B PRO   A 28  ? 0.41261607 0.22215992 0.39519683 -0.00494901 -0.03719383 -0.07931201 140 PRO   A HB2  
452  H  HB3  A PRO   A 28  ? 0.39533624 0.22986194 0.31270176 0.01048178  -0.05478612 -0.07646076 140 PRO   A HB3  
453  H  HB3  B PRO   A 28  ? 0.41217542 0.21670230 0.39797491 -0.00323707 -0.03645274 -0.08002654 140 PRO   A HB3  
454  H  HG2  A PRO   A 28  ? 0.38591671 0.23848881 0.32603812 0.00888405  -0.06294143 -0.07960424 140 PRO   A HG2  
455  H  HG2  B PRO   A 28  ? 0.40789175 0.22501513 0.38580763 -0.00461401 -0.03751698 -0.07627422 140 PRO   A HG2  
456  H  HG3  A PRO   A 28  ? 0.38540560 0.23706315 0.32510835 0.00813524  -0.06245729 -0.07849593 140 PRO   A HG3  
457  H  HG3  B PRO   A 28  ? 0.40937501 0.22490306 0.38584113 -0.00420380 -0.03677079 -0.07579459 140 PRO   A HG3  
458  H  HD2  A PRO   A 28  ? 0.37635761 0.22527133 0.31328005 0.00775589  -0.05673958 -0.07552530 140 PRO   A HD2  
459  H  HD2  B PRO   A 28  ? 0.39069793 0.21435791 0.36081165 -0.00463722 -0.03909577 -0.07124414 140 PRO   A HD2  
460  H  HD3  A PRO   A 28  ? 0.37624174 0.22579789 0.31092843 0.00705961  -0.05583152 -0.07565025 140 PRO   A HD3  
461  H  HD3  B PRO   A 28  ? 0.39152867 0.21502338 0.36122870 -0.00431640 -0.03888774 -0.07244097 140 PRO   A HD3  
462  N  N    A ASN   A 29  ? 0.39642566 0.15537663 0.29231188 0.02371097  -0.03086402 -0.11101927 141 ASN   A N    
463  N  N    B ASN   A 29  ? 0.43781212 0.13286349 0.46171337 0.00106954  -0.05313762 -0.06941775 141 ASN   A N    
464  C  CA   A ASN   A 29  ? 0.42859170 0.16256423 0.32119048 0.01759259  -0.05671939 -0.07864667 141 ASN   A CA   
465  C  CA   B ASN   A 29  ? 0.43813431 0.18304567 0.46490932 0.00038907  -0.06880450 -0.05729389 141 ASN   A CA   
466  C  C    A ASN   A 29  ? 0.42955548 0.16903618 0.35117707 -0.01087501 -0.07867752 -0.04385618 141 ASN   A C    
467  C  C    B ASN   A 29  ? 0.43375748 0.18184716 0.42869633 -0.01649078 -0.08328472 -0.02963600 141 ASN   A C    
468  O  O    A ASN   A 29  ? 0.45307654 0.13502906 0.40140456 -0.00647019 -0.08286548 -0.01147070 141 ASN   A O    
469  O  O    B ASN   A 29  ? 0.44610924 0.22218733 0.45536458 -0.01121274 -0.08200032 -0.01159372 141 ASN   A O    
470  C  CB   A ASN   A 29  ? 0.46903282 0.20599914 0.36503398 -0.01067992 -0.03941936 -0.07849287 141 ASN   A CB   
471  C  CB   B ASN   A 29  ? 0.44888151 0.18029617 0.52677613 -0.02368778 -0.06987077 -0.07138702 141 ASN   A CB   
472  C  CG   A ASN   A 29  ? 0.51020658 0.24437898 0.38690665 -0.02076805 -0.03725622 -0.10030350 141 ASN   A CG   
473  C  CG   B ASN   A 29  ? 0.48590100 0.24507272 0.57933086 -0.01292396 -0.04697891 -0.08857546 141 ASN   A CG   
474  O  OD1  A ASN   A 29  ? 0.56464946 0.33624223 0.37334013 -0.05314316 -0.00384866 -0.15934961 141 ASN   A OD1  
475  O  OD1  B ASN   A 29  ? 0.51311344 0.28558132 0.61654800 -0.00767901 -0.02985412 -0.10736492 141 ASN   A OD1  
476  N  ND2  A ASN   A 29  ? 0.52102256 0.25675526 0.42218363 -0.02669433 -0.02639453 -0.09148044 141 ASN   A ND2  
477  N  ND2  B ASN   A 29  ? 0.51092559 0.25446492 0.64672625 -0.01703727 -0.03614956 -0.09198140 141 ASN   A ND2  
478  H  H    A ASN   A 29  ? 0.39599323 0.15932307 0.29524019 0.02444591  -0.03528261 -0.09880604 141 ASN   A H    
479  H  H    B ASN   A 29  ? 0.43186319 0.13979672 0.45667890 0.00121605  -0.05656691 -0.06720016 141 ASN   A H    
480  H  HA   A ASN   A 29  ? 0.42739698 0.16844882 0.32601485 0.00969375  -0.05199008 -0.07948964 141 ASN   A HA   
481  H  HA   B ASN   A 29  ? 0.43829954 0.17250611 0.46762151 -0.00641039 -0.06814636 -0.05698835 141 ASN   A HA   
482  H  HB2  A ASN   A 29  ? 0.46784604 0.20244204 0.35939690 -0.00638879 -0.04417259 -0.08241961 141 ASN   A HB2  
483  H  HB2  B ASN   A 29  ? 0.45376742 0.19265991 0.52172947 -0.01597582 -0.06554486 -0.07144128 141 ASN   A HB2  
484  H  HB3  A ASN   A 29  ? 0.46922448 0.20283684 0.35867855 -0.00713258 -0.04224986 -0.08333431 141 ASN   A HB3  
485  H  HB3  B ASN   A 29  ? 0.45283949 0.19258343 0.52126086 -0.01578550 -0.06552589 -0.07132027 141 ASN   A HB3  
486  H  HD21 A ASN   A 29  ? 0.51788622 0.25357315 0.41153359 -0.02435908 -0.02927637 -0.09348607 141 ASN   A HD21 
487  H  HD21 B ASN   A 29  ? 0.50550592 0.25253925 0.62880945 -0.01599084 -0.04217994 -0.08952300 141 ASN   A HD21 
488  H  HD22 A ASN   A 29  ? 0.51906449 0.25602767 0.41344550 -0.02264959 -0.02781608 -0.09131975 141 ASN   A HD22 
489  H  HD22 B ASN   A 29  ? 0.50351518 0.25567934 0.62949800 -0.01525205 -0.03961527 -0.08675176 141 ASN   A HD22 
490  N  N    . ALA   A 30  ? 0.41569197 0.18737437 0.34015155 -0.01289218 -0.08573838 -0.02978352 142 ALA   A N    
491  C  CA   . ALA   A 30  ? 0.36791724 0.16223931 0.25259447 0.01048468  -0.05129562 -0.01192040 142 ALA   A CA   
492  C  C    . ALA   A 30  ? 0.34135401 0.14882101 0.23006731 0.01520428  -0.03835020 -0.02802554 142 ALA   A C    
493  O  O    . ALA   A 30  ? 0.36635578 0.18150172 0.23576544 0.02260721  -0.05969719 -0.05338602 142 ALA   A O    
494  C  CB   . ALA   A 30  ? 0.37094504 0.16777740 0.29729620 0.00261635  -0.03800867 0.00769399  142 ALA   A CB   
495  H  H    . ALA   A 30  ? 0.41085666 0.17728154 0.33823586 -0.00775073 -0.07599656 -0.02952905 142 ALA   A H    
496  H  HA   . ALA   A 30  ? 0.36848447 0.16420452 0.26595277 0.00643837  -0.04968105 -0.01475220 142 ALA   A HA   
497  H  HB1  . ALA   A 30  ? 0.37158719 0.16812763 0.28199261 0.00490687  -0.04078840 0.00160866  142 ALA   A HB1  
498  H  HB2  . ALA   A 30  ? 0.37140113 0.16725668 0.28497756 0.00530250  -0.04243430 0.00252540  142 ALA   A HB2  
499  H  HB3  . ALA   A 30  ? 0.37127990 0.17036425 0.28688163 0.00666444  -0.04019641 0.00561665  142 ALA   A HB3  
500  N  N    . ASN   A 31  ? 0.34354874 0.15057398 0.20060077 0.01443246  -0.03228424 -0.01661041 143 ASN   A N    
501  C  CA   . ASN   A 31  ? 0.34375447 0.15116687 0.21860659 0.02411655  -0.03031558 -0.01485437 143 ASN   A CA   
502  C  C    . ASN   A 31  ? 0.31031606 0.13357823 0.17926739 0.04090141  -0.03114089 -0.00736527 143 ASN   A C    
503  O  O    . ASN   A 31  ? 0.30758467 0.16592458 0.18551511 0.03823771  -0.01102007 -0.04577033 143 ASN   A O    
504  C  CB   . ASN   A 31  ? 0.38074067 0.15050031 0.24152556 0.04217547  -0.00173140 0.00726167  143 ASN   A CB   
505  C  CG   . ASN   A 31  ? 0.45385450 0.19507568 0.32234746 0.02546829  0.02095874  -0.01188026 143 ASN   A CG   
506  O  OD1  . ASN   A 31  ? 0.58252108 0.19519132 0.36830389 0.03755091  0.04379724  -0.05997297 143 ASN   A OD1  
507  N  ND2  . ASN   A 31  ? 0.48456118 0.21380651 0.38000008 0.02836872  0.05504499  0.01051833  143 ASN   A ND2  
508  H  H    . ASN   A 31  ? 0.34217250 0.15050304 0.21111034 0.01671557  -0.03277950 -0.01865831 143 ASN   A H    
509  H  HA   . ASN   A 31  ? 0.34417379 0.14862566 0.21220602 0.02723902  -0.02772246 -0.00947128 143 ASN   A HA   
510  H  HB2  . ASN   A 31  ? 0.38076377 0.15754759 0.24752271 0.03574378  -0.00246250 -0.00219603 143 ASN   A HB2  
511  H  HB3  . ASN   A 31  ? 0.38148630 0.15742055 0.24731466 0.03507317  -0.00392344 -0.00162849 143 ASN   A HB3  
512  H  HD21 . ASN   A 31  ? 0.47420841 0.20990819 0.35972407 0.02580211  0.04091827  0.00602198  143 ASN   A HD21 
513  H  HD22 . ASN   A 31  ? 0.47509211 0.21486379 0.36021119 0.02889850  0.04378520  0.00484781  143 ASN   A HD22 
514  N  N    . ARG   A 32  ? 0.28251854 0.15485165 0.19182259 0.02292366  -0.01665525 -0.01735984 144 ARG   A N    
515  C  CA   . ARG   A 32  ? 0.29196540 0.14794293 0.19914852 0.01788478  -0.02078083 -0.03169734 144 ARG   A CA   
516  C  C    . ARG   A 32  ? 0.27294144 0.17049314 0.21956739 0.00718891  -0.00146031 -0.05607083 144 ARG   A C    
517  O  O    . ARG   A 32  ? 0.27817819 0.13777594 0.25230989 -0.01973951 0.00209490  -0.04646938 144 ARG   A O    
518  C  CB   . ARG   A 32  ? 0.31204498 0.18000628 0.22298883 0.01968393  -0.03478408 -0.04532463 144 ARG   A CB   
519  C  CG   . ARG   A 32  ? 0.38438886 0.21745029 0.28470698 0.02145126  -0.01061392 -0.02138807 144 ARG   A CG   
520  C  CD   . ARG   A 32  ? 0.44378799 0.29804128 0.33446836 0.03044870  -0.00154766 -0.01308262 144 ARG   A CD   
521  N  NE   . ARG   A 32  ? 0.54172826 0.29888350 0.29005966 0.02992107  0.03157569  -0.00753029 144 ARG   A NE   
522  C  CZ   . ARG   A 32  ? 0.56807703 0.35997859 0.33510080 0.01059828  -0.01080276 -0.01552651 144 ARG   A CZ   
523  N  NH1  . ARG   A 32  ? 0.55614036 0.34083903 0.31287402 0.06233572  -0.03851887 -0.05386110 144 ARG   A NH1  
524  N  NH2  . ARG   A 32  ? 0.59395516 0.35100001 0.42652425 -0.00181607 0.01853294  -0.05375435 144 ARG   A NH2  
525  H  H    . ARG   A 32  ? 0.28728774 0.14859936 0.19123752 0.02496974  -0.02087175 -0.01824059 144 ARG   A H    
526  H  HA   . ARG   A 32  ? 0.28962243 0.15796396 0.20392017 0.01767868  -0.01843380 -0.03513952 144 ARG   A HA   
527  H  HB2  . ARG   A 32  ? 0.31665197 0.17433128 0.22542067 0.01853121  -0.02743351 -0.03857261 144 ARG   A HB2  
528  H  HB3  . ARG   A 32  ? 0.31662750 0.17597160 0.22554299 0.01982144  -0.02715544 -0.03763982 144 ARG   A HB3  
529  H  HG2  . ARG   A 32  ? 0.37040988 0.22083940 0.27238008 0.02436337  -0.01422423 -0.02412417 144 ARG   A HG2  
530  H  HG3  . ARG   A 32  ? 0.37069064 0.21950373 0.27147827 0.01978578  -0.01534249 -0.02590280 144 ARG   A HG3  
531  H  HD2  . ARG   A 32  ? 0.44856316 0.28270811 0.31333295 0.03111079  0.00496393  -0.01049796 144 ARG   A HD2  
532  H  HD3  . ARG   A 32  ? 0.44826153 0.27975476 0.31229708 0.02590329  0.00323675  -0.01298435 144 ARG   A HD3  
533  H  HE   . ARG   A 32  ? 0.53075218 0.31138140 0.31368145 0.02844130  0.01955028  -0.00956635 144 ARG   A HE   
534  H  HH11 . ARG   A 32  ? 0.55956978 0.34554794 0.31216383 0.04667722  -0.02972462 -0.04451467 144 ARG   A HH11 
535  H  HH12 . ARG   A 32  ? 0.55861533 0.34508330 0.31734079 0.04652634  -0.02938749 -0.04219519 144 ARG   A HH12 
536  H  HH21 . ARG   A 32  ? 0.58687955 0.35380837 0.41696399 0.00308694  0.01059426  -0.04390426 144 ARG   A HH21 
537  H  HH22 . ARG   A 32  ? 0.59247553 0.35308072 0.40234223 0.00313601  0.01410261  -0.04137577 144 ARG   A HH22 
538  N  N    . ILE   A 33  ? 0.25666472 0.14265101 0.16049936 0.01888207  -0.00171434 -0.03028445 145 ILE   A N    
539  C  CA   . ILE   A 33  ? 0.27214867 0.13696742 0.15882909 0.01506126  -0.01067954 -0.05572776 145 ILE   A CA   
540  C  C    . ILE   A 33  ? 0.23860936 0.12013665 0.14846179 0.00729613  0.00032709  -0.03804179 145 ILE   A C    
541  O  O    . ILE   A 33  ? 0.24278028 0.14151864 0.14985201 0.00960814  0.03013656  -0.04678248 145 ILE   A O    
542  C  CB   . ILE   A 33  ? 0.30275735 0.17732532 0.16066588 0.02816499  -0.03658933 -0.07101999 145 ILE   A CB   
543  C  CG1  . ILE   A 33  ? 0.31090975 0.21218133 0.21454895 0.01819736  -0.06872119 -0.07298841 145 ILE   A CG1  
544  C  CG2  . ILE   A 33  ? 0.30511469 0.18600473 0.16100523 0.03350282  -0.04037301 -0.06327838 145 ILE   A CG2  
545  C  CD1  . ILE   A 33  ? 0.31893435 0.24624482 0.22110456 0.02815707  -0.06048296 -0.08097678 145 ILE   A CD1  
546  H  H    . ILE   A 33  ? 0.26034340 0.14651437 0.17158982 0.01528060  -0.00338801 -0.04098123 145 ILE   A H    
547  H  HA   . ILE   A 33  ? 0.26862895 0.14078610 0.15839261 0.01622386  -0.01110944 -0.04981689 145 ILE   A HA   
548  H  HB   . ILE   A 33  ? 0.29949728 0.17609303 0.16909784 0.02523182  -0.03763977 -0.06700914 145 ILE   A HB   
549  H  HG12 . ILE   A 33  ? 0.31236750 0.21019205 0.20196010 0.02249754  -0.05895261 -0.07350767 145 ILE   A HG12 
550  H  HG13 . ILE   A 33  ? 0.31126660 0.21219191 0.20195647 0.02097273  -0.05818029 -0.07318172 145 ILE   A HG13 
551  H  HG21 . ILE   A 33  ? 0.30464017 0.18396384 0.16062719 0.03214709  -0.03950564 -0.06484228 145 ILE   A HG21 
552  H  HG22 . ILE   A 33  ? 0.30495307 0.18366055 0.16108710 0.03222119  -0.03938345 -0.06513450 145 ILE   A HG22 
553  H  HG23 . ILE   A 33  ? 0.30439606 0.18382958 0.16153778 0.03250676  -0.03822714 -0.06415866 145 ILE   A HG23 
554  H  HD11 . ILE   A 33  ? 0.31790662 0.23678380 0.21938995 0.02536711  -0.06285965 -0.07817245 145 ILE   A HD11 
555  H  HD12 . ILE   A 33  ? 0.31773776 0.23868454 0.22083682 0.02630084  -0.06162800 -0.07637280 145 ILE   A HD12 
556  H  HD13 . ILE   A 33  ? 0.31785956 0.23812462 0.21862085 0.02396599  -0.06227128 -0.07806560 145 ILE   A HD13 
557  N  N    . ALA   A 34  ? 0.24237198 0.12798247 0.16411357 0.00231419  0.00121008  -0.04491161 146 ALA   A N    
558  C  CA   . ALA   A 34  ? 0.24066852 0.14064156 0.13882403 -0.00767670 0.00082422  -0.02985769 146 ALA   A CA   
559  C  C    . ALA   A 34  ? 0.22015385 0.15150662 0.13064294 -0.00681758 0.00492709  -0.02083685 146 ALA   A C    
560  O  O    . ALA   A 34  ? 0.22099826 0.13097732 0.17919181 -0.01831029 0.01148057  -0.03910582 146 ALA   A O    
561  C  CB   . ALA   A 34  ? 0.26328111 0.16764762 0.14887322 -0.00024271 -0.01475692 -0.01327805 146 ALA   A CB   
562  H  H    . ALA   A 34  ? 0.24189523 0.12914327 0.15481713 0.00152001  0.00072663  -0.04006729 146 ALA   A H    
563  H  HA   . ALA   A 34  ? 0.23918745 0.14403977 0.14265779 -0.00448952 -0.00004181 -0.02831520 146 ALA   A HA   
564  H  HB1  . ALA   A 34  ? 0.25859544 0.16199104 0.14641139 -0.00342229 -0.01000518 -0.01773839 146 ALA   A HB1  
565  H  HB2  . ALA   A 34  ? 0.25988701 0.16042013 0.14698474 -0.00139884 -0.01137383 -0.01826319 146 ALA   A HB2  
566  H  HB3  . ALA   A 34  ? 0.25811434 0.16278851 0.14752688 -0.00053627 -0.00877584 -0.01597439 146 ALA   A HB3  
567  N  N    . LEU   A 35  ? 0.21908775 0.14159527 0.11961769 -0.00587505 0.00225722  -0.02825314 147 LEU   A N    
568  C  CA   . LEU   A 35  ? 0.22022481 0.14489572 0.11775545 -0.00228239 0.00205976  -0.02568302 147 LEU   A CA   
569  C  C    . LEU   A 35  ? 0.21755797 0.11893027 0.10855343 0.00118170  0.00413490  -0.02056685 147 LEU   A C    
570  O  O    . LEU   A 35  ? 0.22389539 0.16133887 0.11237024 -0.00191015 0.00700385  -0.05034577 147 LEU   A O    
571  C  CB   . LEU   A 35  ? 0.23765755 0.15820837 0.13434424 0.00808742  0.01810894  -0.01497527 147 LEU   A CB   
572  C  CG   . LEU   A 35  ? 0.30148402 0.20587637 0.15139689 -0.00415784 0.01909530  -0.01679356 147 LEU   A CG   
573  C  CD1  . LEU   A 35  ? 0.32869881 0.23455158 0.15249406 -0.01396911 0.02444169  -0.00829201 147 LEU   A CD1  
574  C  CD2  . LEU   A 35  ? 0.32610932 0.26448345 0.20867194 -0.00860048 -0.00457380 0.00082076  147 LEU   A CD2  
575  H  H    . LEU   A 35  ? 0.21953785 0.14436767 0.12181774 -0.00527196 0.00288699  -0.02614201 147 LEU   A H    
576  H  HA   . LEU   A 35  ? 0.22218424 0.14152293 0.11947687 -0.00077847 0.00514129  -0.02370844 147 LEU   A HA   
577  H  HB2  . LEU   A 35  ? 0.24030325 0.16070788 0.13163355 0.00335819  0.01464238  -0.01811013 147 LEU   A HB2  
578  H  HB3  . LEU   A 35  ? 0.24197331 0.15902396 0.13133672 0.00439513  0.01472547  -0.01904936 147 LEU   A HB3  
579  H  HG   . LEU   A 35  ? 0.29294023 0.20530216 0.15496583 -0.00315529 0.01648404  -0.01268382 147 LEU   A HG   
580  H  HD11 . LEU   A 35  ? 0.32370618 0.22678354 0.15281793 -0.01117272 0.02246238  -0.01029899 147 LEU   A HD11 
581  H  HD12 . LEU   A 35  ? 0.32154870 0.22680853 0.15414497 -0.01119325 0.02338891  -0.00996383 147 LEU   A HD12 
582  H  HD13 . LEU   A 35  ? 0.32191470 0.23037799 0.15336569 -0.01289310 0.02213413  -0.00882139 147 LEU   A HD13 
583  H  HD21 . LEU   A 35  ? 0.31655252 0.24991274 0.19305071 -0.00646441 0.00236207  -0.00882454 147 LEU   A HD21 
584  H  HD22 . LEU   A 35  ? 0.31983441 0.25409383 0.19266056 -0.01163865 0.00141190  -0.00179774 147 LEU   A HD22 
585  H  HD23 . LEU   A 35  ? 0.31892961 0.24724561 0.19751850 -0.00712934 0.00578946  -0.00341832 147 LEU   A HD23 
586  N  N    . ASP   A 36  ? 0.22570898 0.12921788 0.10605169 0.00130047  -0.00269432 -0.02339146 148 ASP   A N    
587  C  CA   . ASP   A 36  ? 0.22933577 0.12317161 0.10401725 -0.00111235 -0.00512064 -0.03060541 148 ASP   A CA   
588  C  C    . ASP   A 36  ? 0.22898525 0.13597958 0.09843760 0.00270161  -0.00888936 -0.01478279 148 ASP   A C    
589  O  O    . ASP   A 36  ? 0.22469422 0.15116216 0.09719967 0.00169735  -0.00047726 -0.02166348 148 ASP   A O    
590  C  CB   . ASP   A 36  ? 0.24944940 0.13142690 0.14556332 0.00298539  -0.00545797 -0.01671301 148 ASP   A CB   
591  C  CG   . ASP   A 36  ? 0.26381394 0.13923337 0.20026185 0.00244503  0.00025204  -0.01371460 148 ASP   A CG   
592  O  OD1  . ASP   A 36  ? 0.27472660 0.16351844 0.21556887 -0.00123155 -0.00716484 -0.02598729 148 ASP   A OD1  
593  O  OD2  . ASP   A 36  ? 0.31521288 0.16383040 0.30575681 -0.02332933 -0.03028135 -0.00404763 148 ASP   A OD2  
594  H  H    . ASP   A 36  ? 0.22497094 0.12576759 0.10639747 0.00070921  -0.00151783 -0.02428374 148 ASP   A H    
595  H  HA   . ASP   A 36  ? 0.23058702 0.12781718 0.10869776 0.00070699  -0.00498905 -0.02424628 148 ASP   A HA   
596  H  HB2  . ASP   A 36  ? 0.24768117 0.13078247 0.14346711 0.00203111  -0.00427459 -0.01937284 148 ASP   A HB2  
597  H  HB3  . ASP   A 36  ? 0.24659625 0.13112998 0.14476551 0.00230226  -0.00354530 -0.01843637 148 ASP   A HB3  
598  N  N    . PHE   A 37  ? 0.23386514 0.12145628 0.06035280 0.00098416  0.00931814  -0.01770570 149 PHE   A N    
599  C  CA   . PHE   A 37  ? 0.22894786 0.12639917 0.07280138 0.00961584  0.00190705  -0.01226959 149 PHE   A CA   
600  C  C    . PHE   A 37  ? 0.22067890 0.10707134 0.08224300 0.00339628  0.00069973  -0.00542352 149 PHE   A C    
601  O  O    . PHE   A 37  ? 0.21616311 0.13878228 0.08487141 0.00533326  0.00889336  -0.00221626 149 PHE   A O    
602  C  CB   . PHE   A 37  ? 0.24269788 0.13679190 0.07481468 0.01590782  0.00436402  -0.00472417 149 PHE   A CB   
603  C  CG   . PHE   A 37  ? 0.26392788 0.17090999 0.06645706 0.00888482  0.00659626  0.00508646  149 PHE   A CG   
604  C  CD1  . PHE   A 37  ? 0.26668254 0.18027900 0.06632736 0.01753787  -0.00823815 0.00183616  149 PHE   A CD1  
605  C  CD2  . PHE   A 37  ? 0.27933267 0.18578511 0.05700152 0.02933162  -0.00081682 0.00254541  149 PHE   A CD2  
606  C  CE1  . PHE   A 37  ? 0.28700927 0.22699168 0.08177935 0.03403739  -0.02115061 0.01357121  149 PHE   A CE1  
607  C  CE2  . PHE   A 37  ? 0.29713935 0.23292944 0.06923240 0.04166624  -0.00723774 0.03889056  149 PHE   A CE2  
608  C  CZ   . PHE   A 37  ? 0.29077834 0.27107623 0.07887445 0.04794055  -0.01845602 0.02239303  149 PHE   A CZ   
609  H  H    . PHE   A 37  ? 0.22988462 0.12555383 0.07072723 0.00388307  0.00494072  -0.01623831 149 PHE   A H    
610  H  HA   . PHE   A 37  ? 0.22957943 0.12348236 0.07258227 0.00784152  0.00318326  -0.01097343 149 PHE   A HA   
611  H  HB2  . PHE   A 37  ? 0.24204609 0.13992178 0.07259887 0.01305318  0.00438730  -0.00461423 149 PHE   A HB2  
612  H  HB3  . PHE   A 37  ? 0.24325980 0.13882411 0.07244877 0.01325530  0.00428306  -0.00526890 149 PHE   A HB3  
613  H  HD1  . PHE   A 37  ? 0.26915577 0.18596569 0.06908320 0.01979793  -0.00754734 0.00537892  149 PHE   A HD1  
614  H  HD2  . PHE   A 37  ? 0.27710783 0.18569914 0.05765652 0.02859589  0.00126153  0.00628743  149 PHE   A HD2  
615  H  HE1  . PHE   A 37  ? 0.28222236 0.22296277 0.07918822 0.03152797  -0.01796966 0.01487803  149 PHE   A HE1  
616  H  HE2  . PHE   A 37  ? 0.29040554 0.22601312 0.06776029 0.03928439  -0.00776469 0.02580899  149 PHE   A HE2  
617  H  HZ   . PHE   A 37  ? 0.29056972 0.24934855 0.07695362 0.04282832  -0.01615715 0.02369071  149 PHE   A HZ   
618  N  N    . GLN   A 38  ? 0.21380882 0.11522365 0.05720561 -0.00350618 0.00007755  -0.00741941 150 GLN   A N    
619  C  CA   . GLN   A 38  ? 0.24865070 0.12490083 0.06249026 0.00071302  -0.00486810 0.00004984  150 GLN   A CA   
620  C  C    . GLN   A 38  ? 0.24126603 0.13195756 0.07328716 -0.00188509 -0.00594045 -0.00012140 150 GLN   A C    
621  O  O    . GLN   A 38  ? 0.27302510 0.12189358 0.06743651 0.01597192  -0.00724410 0.00497736  150 GLN   A O    
622  C  CB   . GLN   A 38  ? 0.30300996 0.15872444 0.09881411 -0.00047105 0.02000947  -0.01382247 150 GLN   A CB   
623  C  CG   . GLN   A 38  ? 0.37755269 0.18504624 0.14937924 -0.01058052 0.02728307  -0.03557654 150 GLN   A CG   
624  C  CD   . GLN   A 38  ? 0.39262518 0.22922502 0.21599351 0.00092236  -0.02875019 -0.05058907 150 GLN   A CD   
625  O  OE1  . GLN   A 38  ? 0.51046365 0.25931972 0.33009288 -0.03689412 -0.04187618 -0.06641753 150 GLN   A OE1  
626  N  NE2  . GLN   A 38  ? 0.43048698 0.26029080 0.29332018 0.02365861  -0.09663473 -0.04845725 150 GLN   A NE2  
627  H  H    . GLN   A 38  ? 0.21981117 0.11520586 0.06347384 -0.00048214 -0.00143245 -0.00539545 150 GLN   A H    
628  H  HA   . GLN   A 38  ? 0.24463072 0.12763943 0.06734357 -0.00052951 -0.00056575 -0.00356341 150 GLN   A HA   
629  H  HB2  . GLN   A 38  ? 0.29885671 0.15238397 0.09564038 -0.00288492 0.01470263  -0.01393696 150 GLN   A HB2  
630  H  HB3  . GLN   A 38  ? 0.29781479 0.15275185 0.09959843 -0.00185458 0.01379541  -0.01386995 150 GLN   A HB3  
631  H  HG2  . GLN   A 38  ? 0.35673180 0.18399215 0.14431605 -0.00529318 0.01537348  -0.03202589 150 GLN   A HG2  
632  H  HG3  . GLN   A 38  ? 0.36529148 0.18554454 0.14716442 -0.00405767 0.01704312  -0.03192673 150 GLN   A HG3  
633  H  HE21 . GLN   A 38  ? 0.41509670 0.25697017 0.26330444 0.01821494  -0.07071353 -0.04675476 150 GLN   A HE21 
634  H  HE22 . GLN   A 38  ? 0.41779530 0.25595522 0.27037528 0.01595608  -0.07272661 -0.05266933 150 GLN   A HE22 
635  N  N    . ARG   A 39  ? 0.23362049 0.11949059 0.06304252 0.00331888  -0.00815460 -0.00276776 151 ARG   A N    
636  C  CA   . ARG   A 39  ? 0.23624133 0.12387399 0.07405017 -0.00878819 0.00420110  -0.00896688 151 ARG   A CA   
637  C  C    . ARG   A 39  ? 0.22515717 0.12017703 0.07817068 -0.00286037 -0.00264897 -0.01011438 151 ARG   A C    
638  O  O    . ARG   A 39  ? 0.23637569 0.14881623 0.06308572 0.00036852  0.00896064  -0.00396204 151 ARG   A O    
639  C  CB   . ARG   A 39  ? 0.24919730 0.15228793 0.04076190 -0.01229638 0.01316079  -0.00443149 151 ARG   A CB   
640  C  CG   . ARG   A 39  ? 0.28275076 0.15447789 0.06432576 -0.02167200 0.00694891  -0.00992759 151 ARG   A CG   
641  C  CD   . ARG   A 39  ? 0.31946346 0.22129731 0.10744917 -0.05240902 0.00831672  -0.01895212 151 ARG   A CD   
642  N  NE   . ARG   A 39  ? 0.31460211 0.23645851 0.10558864 -0.08159551 -0.00762480 -0.01405962 151 ARG   A NE   
643  C  CZ   . ARG   A 39  ? 0.35176447 0.23958480 0.09503159 -0.06773402 -0.02100416 -0.03014705 151 ARG   A CZ   
644  N  NH1  . ARG   A 39  ? 0.36937046 0.26578790 0.12272277 -0.06657307 -0.00054963 -0.03606996 151 ARG   A NH1  
645  N  NH2  . ARG   A 39  ? 0.40340707 0.28960314 0.10656494 -0.07930469 -0.02644098 -0.06877365 151 ARG   A NH2  
646  H  H    . ARG   A 39  ? 0.23407005 0.12163104 0.06751629 0.00133726  -0.00516188 -0.00337604 151 ARG   A H    
647  H  HA   . ARG   A 39  ? 0.23693310 0.12737262 0.06734424 -0.00638052 0.00221507  -0.00696591 151 ARG   A HA   
648  H  HB2  . ARG   A 39  ? 0.25250232 0.14431851 0.04561913 -0.01350427 0.01025689  -0.00292992 151 ARG   A HB2  
649  H  HB3  . ARG   A 39  ? 0.25243899 0.14568670 0.05162802 -0.01329905 0.00999542  -0.00579145 151 ARG   A HB3  
650  H  HG2  . ARG   A 39  ? 0.27918431 0.16364019 0.06334810 -0.02405987 0.00861117  -0.00909401 151 ARG   A HG2  
651  H  HG3  . ARG   A 39  ? 0.27909550 0.16375737 0.06512094 -0.02365431 0.00882547  -0.00984782 151 ARG   A HG3  
652  H  HD2  . ARG   A 39  ? 0.30930665 0.21010056 0.10333506 -0.05165220 0.00558862  -0.02050648 151 ARG   A HD2  
653  H  HD3  . ARG   A 39  ? 0.31224728 0.20924580 0.09726788 -0.05280955 0.00427860  -0.01629287 151 ARG   A HD3  
654  H  HE   . ARG   A 39  ? 0.32592642 0.23629558 0.10396680 -0.07326421 -0.00697662 -0.01949644 151 ARG   A HE   
655  H  HH11 . ARG   A 39  ? 0.36702204 0.25765848 0.12019293 -0.06755987 -0.00268088 -0.03471589 151 ARG   A HH11 
656  H  HH12 . ARG   A 39  ? 0.36344233 0.25802350 0.11723807 -0.06715059 -0.00624049 -0.03197625 151 ARG   A HH12 
657  H  HH21 . ARG   A 39  ? 0.38899708 0.27415532 0.10664774 -0.07650252 -0.02134755 -0.05597400 151 ARG   A HH21 
658  H  HH22 . ARG   A 39  ? 0.38949546 0.27755511 0.10379069 -0.07970511 -0.02326120 -0.05567629 151 ARG   A HH22 
659  N  N    . GLY   A 40  ? 0.23423235 0.11973089 0.07870287 0.00043458  -0.00163525 0.02655137  152 GLY   A N    
660  C  CA   . GLY   A 40  ? 0.23511301 0.12099004 0.06684553 0.00207603  -0.00445330 0.02470464  152 GLY   A CA   
661  C  C    . GLY   A 40  ? 0.24219677 0.12548652 0.06531766 -0.00348122 0.00144388  0.00800762  152 GLY   A C    
662  O  O    . GLY   A 40  ? 0.25741297 0.15139778 0.07129050 -0.00109529 -0.01410592 0.00084001  152 GLY   A O    
663  H  H    . GLY   A 40  ? 0.23146467 0.11990753 0.07562471 0.00040624  -0.00284958 0.01752906  152 GLY   A H    
664  H  HA2  . GLY   A 40  ? 0.23617902 0.12172461 0.06909306 0.00055824  -0.00252929 0.02158485  152 GLY   A HA2  
665  H  HA3  . GLY   A 40  ? 0.23630168 0.12184763 0.06884961 0.00046657  -0.00264305 0.02137054  152 GLY   A HA3  
666  N  N    . ASN   A 41  ? 0.23583478 0.13657206 0.07085390 -0.00021056 0.00185123  0.02484606  153 ASN   A N    
667  C  CA   . ASN   A 41  ? 0.25775808 0.14205562 0.04491236 0.00048490  0.00350630  0.00841298  153 ASN   A CA   
668  C  C    . ASN   A 41  ? 0.25370684 0.15652430 0.06307752 0.00563908  0.00114334  -0.00174033 153 ASN   A C    
669  O  O    . ASN   A 41  ? 0.28855079 0.17878015 0.06629406 0.01368462  0.01921811  -0.00361948 153 ASN   A O    
670  C  CB   . ASN   A 41  ? 0.25121105 0.15529718 0.03849493 0.00678082  0.01236914  0.00912998  153 ASN   A CB   
671  C  CG   . ASN   A 41  ? 0.26458731 0.15792567 0.06383478 -0.00981230 0.02547924  0.02542855  153 ASN   A CG   
672  O  OD1  . ASN   A 41  ? 0.29212472 0.15144232 0.09648468 -0.01541171 0.00777598  0.01777124  153 ASN   A OD1  
673  N  ND2  . ASN   A 41  ? 0.28168231 0.17603225 0.10811052 -0.00273509 0.01749337  0.03612922  153 ASN   A ND2  
674  H  H    . ASN   A 41  ? 0.24272527 0.13702914 0.06816842 0.00042130  0.00380391  0.02055764  153 ASN   A H    
675  H  HA   . ASN   A 41  ? 0.25178045 0.14555366 0.05196434 0.00200484  0.00414781  0.00978217  153 ASN   A HA   
676  H  HB2  . ASN   A 41  ? 0.25348580 0.15278217 0.04377645 0.00221512  0.01461024  0.01220574  153 ASN   A HB2  
677  H  HB3  . ASN   A 41  ? 0.25522038 0.15302046 0.04557256 0.00190918  0.01327098  0.01247158  153 ASN   A HB3  
678  H  HD21 . ASN   A 41  ? 0.27727053 0.17248215 0.09163276 -0.00278820 0.02081616  0.03323891  153 ASN   A HD21 
679  H  HD22 . ASN   A 41  ? 0.27630526 0.17301831 0.09226229 -0.00540633 0.02026677  0.03296222  153 ASN   A HD22 
680  N  N    . ASP   A 42  ? 0.24427277 0.16281332 0.05850417 -0.00120468 0.01421442  -0.01267145 154 ASP   A N    
681  C  CA   . ASP   A 42  ? 0.24680302 0.15977907 0.05007902 -0.00074119 0.01828996  0.00729597  154 ASP   A CA   
682  C  C    . ASP   A 42  ? 0.23191899 0.13645934 0.05833377 0.01564024  0.01791709  0.00355917  154 ASP   A C    
683  O  O    . ASP   A 42  ? 0.24380213 0.15653464 0.06305765 0.03105614  -0.00088651 -0.00754332 154 ASP   A O    
684  C  CB   . ASP   A 42  ? 0.24648598 0.18200739 0.05816304 0.00200575  0.02070585  -0.00852466 154 ASP   A CB   
685  C  CG   . ASP   A 42  ? 0.25339720 0.19841368 0.10147630 -0.01001265 0.00576641  -0.00334237 154 ASP   A CG   
686  O  OD1  . ASP   A 42  ? 0.26631194 0.19254884 0.12926486 -0.00597723 -0.00112455 -0.00126540 154 ASP   A OD1  
687  O  OD2  . ASP   A 42  ? 0.26572952 0.20590362 0.09239734 -0.03071877 -0.00361110 -0.01736300 154 ASP   A OD2  
688  H  H    . ASP   A 42  ? 0.24672970 0.15890731 0.05756975 0.00088948  0.01231056  -0.00618231 154 ASP   A H    
689  H  HA   . ASP   A 42  ? 0.24405614 0.16045615 0.05547572 0.00277035  0.01778126  0.00022053  154 ASP   A HA   
690  H  HB2  . ASP   A 42  ? 0.24720278 0.17880699 0.06371448 -0.00064253 0.01765393  -0.00372657 154 ASP   A HB2  
691  H  HB3  . ASP   A 42  ? 0.24590760 0.17929105 0.06079959 -0.00103261 0.01979560  -0.00344648 154 ASP   A HB3  
692  N  N    . VAL   A 43  ? 0.22247188 0.12798183 0.05657819 0.01950272  0.01187930  0.00752405  155 VAL   A N    
693  C  CA   . VAL   A 43  ? 0.22789909 0.13448004 0.05647539 0.00306563  0.00728795  -0.00118505 155 VAL   A CA   
694  C  C    . VAL   A 43  ? 0.22184108 0.13343276 0.05299377 0.00128343  0.00091269  -0.01136242 155 VAL   A C    
695  O  O    . VAL   A 43  ? 0.22537796 0.17025207 0.05104344 -0.00411691 0.01350260  -0.00315447 155 VAL   A O    
696  C  CB   . VAL   A 43  ? 0.23829016 0.13932763 0.07918964 -0.00800512 0.01192391  -0.00993141 155 VAL   A CB   
697  C  CG1  . VAL   A 43  ? 0.24336344 0.13894007 0.07990398 -0.01528670 0.01343299  -0.04754811 155 VAL   A CG1  
698  C  CG2  . VAL   A 43  ? 0.24475190 0.14010479 0.11529062 -0.01250913 0.01625544  -0.00891585 155 VAL   A CG2  
699  H  H    . VAL   A 43  ? 0.22343570 0.13082367 0.05636293 0.01639718  0.01120307  0.00541948  155 VAL   A H    
700  H  HA   . VAL   A 43  ? 0.22767068 0.13399869 0.05959562 0.00421314  0.00779744  -0.00306324 155 VAL   A HA   
701  H  HB   . VAL   A 43  ? 0.23810911 0.13855715 0.08025929 -0.00785434 0.01198502  -0.01459302 155 VAL   A HB   
702  H  HG11 . VAL   A 43  ? 0.24360378 0.13840738 0.07979945 -0.01372281 0.01292435  -0.03724447 155 VAL   A HG11 
703  H  HG12 . VAL   A 43  ? 0.24338205 0.13845596 0.08013426 -0.01258958 0.01205990  -0.03748135 155 VAL   A HG12 
704  H  HG13 . VAL   A 43  ? 0.24261770 0.13472594 0.07964576 -0.01340114 0.01255224  -0.03807439 155 VAL   A HG13 
705  H  HG21 . VAL   A 43  ? 0.24307710 0.14075074 0.10565992 -0.01117011 0.01542267  -0.00892568 155 VAL   A HG21 
706  H  HG22 . VAL   A 43  ? 0.24340412 0.14006177 0.11093411 -0.01098983 0.01698211  -0.00893287 155 VAL   A HG22 
707  H  HG23 . VAL   A 43  ? 0.24401340 0.14039344 0.10576183 -0.01144080 0.01539655  -0.00926389 155 VAL   A HG23 
708  N  N    . ALA   A 44  ? 0.21799472 0.12353422 0.06083069 0.01183888  0.00797345  -0.01758553 156 ALA   A N    
709  C  CA   . ALA   A 44  ? 0.22647834 0.12220256 0.08195998 -0.01263550 0.00109735  -0.01969300 156 ALA   A CA   
710  C  C    . ALA   A 44  ? 0.23267756 0.12474678 0.06262465 -0.01965286 0.00949949  0.00536833  156 ALA   A C    
711  O  O    . ALA   A 44  ? 0.23838605 0.15346606 0.05956662 -0.03442480 -0.00179297 -0.00493248 156 ALA   A O    
712  C  CB   . ALA   A 44  ? 0.24799728 0.12964603 0.09237332 -0.01046165 0.00397967  -0.00472033 156 ALA   A CB   
713  H  H    . ALA   A 44  ? 0.21782722 0.12541123 0.06353784 0.00523266  0.00548581  -0.01645863 156 ALA   A H    
714  H  HA   . ALA   A 44  ? 0.22785942 0.12462009 0.07489207 -0.00908234 0.00316262  -0.01248526 156 ALA   A HA   
715  H  HB1  . ALA   A 44  ? 0.24195477 0.12827532 0.09259354 -0.01148167 0.00238770  -0.00738608 156 ALA   A HB1  
716  H  HB2  . ALA   A 44  ? 0.24350646 0.12760584 0.09086151 -0.01065608 0.00440221  -0.00851247 156 ALA   A HB2  
717  H  HB3  . ALA   A 44  ? 0.24194874 0.12775387 0.09012496 -0.01082698 0.00298745  -0.00892374 156 ALA   A HB3  
718  N  N    . PHE   A 45  ? 0.22305889 0.12952861 0.05260814 -0.02117152 0.01710253  -0.00115518 157 PHE   A N    
719  C  CA   . PHE   A 45  ? 0.22369175 0.14343886 0.03135879 -0.01548886 0.01540441  0.00962595  157 PHE   A CA   
720  C  C    . PHE   A 45  ? 0.22209248 0.13831234 0.03578445 -0.00398473 0.02079685  0.00453614  157 PHE   A C    
721  O  O    . PHE   A 45  ? 0.21763347 0.12464921 0.06350631 0.01415955  0.00092026  -0.00329989 157 PHE   A O    
722  C  CB   . PHE   A 45  ? 0.23256852 0.13858128 0.05116149 -0.01981791 0.01384170  0.01489679  157 PHE   A CB   
723  C  CG   . PHE   A 45  ? 0.21795590 0.13743497 0.06102279 -0.02268654 0.00972493  0.00424098  157 PHE   A CG   
724  C  CD1  . PHE   A 45  ? 0.21922091 0.15858181 0.05912096 -0.01480382 0.00214707  0.00055484  157 PHE   A CD1  
725  C  CD2  . PHE   A 45  ? 0.23071253 0.14925446 0.07588594 -0.00683934 0.00847383  0.00452105  157 PHE   A CD2  
726  C  CE1  . PHE   A 45  ? 0.20828111 0.16784029 0.07023722 -0.01147307 0.00155262  -0.00589049 157 PHE   A CE1  
727  C  CE2  . PHE   A 45  ? 0.22544345 0.16475259 0.05743888 -0.00739439 -0.00970400 0.00834220  157 PHE   A CE2  
728  C  CZ   . PHE   A 45  ? 0.22307040 0.17319468 0.06570729 -0.00936738 -0.00074150 -0.00484178 157 PHE   A CZ   
729  H  H    . PHE   A 45  ? 0.22395740 0.13139389 0.05021389 -0.01932826 0.01546570  0.00249898  157 PHE   A H    
730  H  HA   . PHE   A 45  ? 0.22451481 0.13922083 0.04023790 -0.01510113 0.01613358  0.00728324  157 PHE   A HA   
731  H  HB2  . PHE   A 45  ? 0.22788033 0.14013456 0.04894429 -0.01902882 0.01332244  0.01146105  157 PHE   A HB2  
732  H  HB3  . PHE   A 45  ? 0.22884957 0.13986771 0.04922186 -0.01962166 0.01306328  0.01127036  157 PHE   A HB3  
733  H  HD1  . PHE   A 45  ? 0.21639700 0.15536690 0.06095422 -0.01545915 0.00331421  0.00052798  157 PHE   A HD1  
734  H  HD2  . PHE   A 45  ? 0.22553489 0.14956087 0.06751504 -0.01030120 0.00493691  0.00515600  157 PHE   A HD2  
735  H  HE1  . PHE   A 45  ? 0.21370131 0.16605391 0.06640434 -0.01064706 0.00151650  -0.00421858 157 PHE   A HE1  
736  H  HE2  . PHE   A 45  ? 0.22289045 0.16255440 0.05959172 -0.00660768 -0.00668533 0.00588203  157 PHE   A HE2  
737  H  HZ   . PHE   A 45  ? 0.22018027 0.16946994 0.06417903 -0.00944583 -0.00203260 -0.00217358 157 PHE   A HZ   
738  N  N    . HIS   A 46  ? 0.20828624 0.13673910 0.07753976 -0.00035596 0.01057021  -0.00754858 158 HIS   A N    
739  C  CA   . HIS   A 46  ? 0.23284237 0.13595742 0.05590029 -0.00531381 0.01036270  -0.00798200 158 HIS   A CA   
740  C  C    . HIS   A 46  ? 0.21604818 0.12141551 0.05802012 -0.01021656 0.01366023  -0.00971099 158 HIS   A C    
741  O  O    . HIS   A 46  ? 0.21697268 0.15450966 0.09279815 0.00402352  0.00306312  -0.01669003 158 HIS   A O    
742  C  CB   . HIS   A 46  ? 0.23407242 0.14118797 0.06164553 -0.00701801 -0.00343033 -0.01697697 158 HIS   A CB   
743  C  CG   . HIS   A 46  ? 0.24571127 0.13647477 0.07637815 -0.00670328 0.00749555  -0.00972160 158 HIS   A CG   
744  N  ND1  . HIS   A 46  ? 0.25133878 0.12325375 0.10683532 -0.01852483 0.00828189  -0.00531929 158 HIS   A ND1  
745  C  CD2  . HIS   A 46  ? 0.24646297 0.15174179 0.08965390 -0.00740891 0.00387057  -0.01034266 158 HIS   A CD2  
746  C  CE1  . HIS   A 46  ? 0.24785128 0.13789386 0.12009192 -0.01601826 0.02033332  0.00627678  158 HIS   A CE1  
747  N  NE2  . HIS   A 46  ? 0.25958005 0.14010769 0.08712022 -0.00894282 0.02182379  0.00165160  158 HIS   A NE2  
748  H  H    . HIS   A 46  ? 0.21370797 0.13701215 0.06244800 -0.00279561 0.01228899  -0.00462040 158 HIS   A H    
749  H  HA   . HIS   A 46  ? 0.22766879 0.13413896 0.06164289 -0.00549340 0.00861381  -0.00998258 158 HIS   A HA   
750  H  HB2  . HIS   A 46  ? 0.23603038 0.13904941 0.06325749 -0.00657017 0.00221321  -0.01364394 158 HIS   A HB2  
751  H  HB3  . HIS   A 46  ? 0.23524885 0.13914227 0.06355640 -0.00655994 0.00219286  -0.01335066 158 HIS   A HB3  
752  H  HD1  . HIS   A 46  ? 0.16106267 0.16106267 0.16106267 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
753  H  HD2  . HIS   A 46  ? 0.24930891 0.14558186 0.08617413 -0.00763531 0.00832628  -0.00765022 158 HIS   A HD2  
754  H  HE1  . HIS   A 46  ? 0.25120851 0.13426121 0.10947329 -0.01596035 0.01819107  0.00269438  158 HIS   A HE1  
755  H  HE2  . HIS   A 46  ? 0.16286112 0.16286112 0.16286112 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
756  N  N    . PHE   A 47  ? 0.21235533 0.11772621 0.09205622 0.00064647  0.00653278  -0.02730501 159 PHE   A N    
757  C  CA   . PHE   A 47  ? 0.21510586 0.13294373 0.08821043 0.00161915  0.01578246  -0.02057475 159 PHE   A CA   
758  C  C    . PHE   A 47  ? 0.21693800 0.12111971 0.07732059 0.00913435  0.01121230  -0.01756292 159 PHE   A C    
759  O  O    . PHE   A 47  ? 0.21299072 0.13106060 0.08214451 0.00400409  0.01312285  -0.02354119 159 PHE   A O    
760  C  CB   . PHE   A 47  ? 0.22481045 0.11519021 0.08238316 0.00863589  0.01455658  -0.02160671 159 PHE   A CB   
761  C  CG   . PHE   A 47  ? 0.22509882 0.12764838 0.08755836 0.00279216  0.00344151  -0.01827151 159 PHE   A CG   
762  C  CD1  . PHE   A 47  ? 0.22611074 0.13697110 0.08976080 0.00984306  -0.00133073 -0.00886711 159 PHE   A CD1  
763  C  CD2  . PHE   A 47  ? 0.21373238 0.14340444 0.05972684 0.00401663  0.00373577  -0.00874673 159 PHE   A CD2  
764  C  CE1  . PHE   A 47  ? 0.22478396 0.14889558 0.08406365 0.00632936  0.00290038  -0.00031974 159 PHE   A CE1  
765  C  CE2  . PHE   A 47  ? 0.23330201 0.15551350 0.07384942 -0.00041115 -0.01044847 -0.02548905 159 PHE   A CE2  
766  C  CZ   . PHE   A 47  ? 0.23929258 0.13650244 0.08454527 0.01162058  -0.00580780 -0.02371402 159 PHE   A CZ   
767  H  H    . PHE   A 47  ? 0.21446863 0.12181333 0.08269343 -0.00181983 0.01004984  -0.02143617 159 PHE   A H    
768  H  HA   . PHE   A 47  ? 0.21567813 0.12492773 0.08576711 0.00397026  0.01317247  -0.02123325 159 PHE   A HA   
769  H  HB2  . PHE   A 47  ? 0.22245738 0.12063943 0.08476770 0.00530962  0.01240396  -0.02076103 159 PHE   A HB2  
770  H  HB3  . PHE   A 47  ? 0.22257273 0.12168990 0.08491470 0.00578094  0.01251407  -0.02066818 159 PHE   A HB3  
771  H  HD1  . PHE   A 47  ? 0.22604999 0.13738991 0.08779643 0.00764280  0.00096772  -0.00926326 159 PHE   A HD1  
772  H  HD2  . PHE   A 47  ? 0.21680532 0.14217304 0.06713595 0.00190071  0.00349940  -0.01354985 159 PHE   A HD2  
773  H  HE1  . PHE   A 47  ? 0.22613454 0.14367713 0.08403876 0.00753933  0.00184007  -0.00718834 159 PHE   A HE1  
774  H  HE2  . PHE   A 47  ? 0.22868155 0.14782836 0.07288756 0.00274318  -0.00634711 -0.02114190 159 PHE   A HE2  
775  H  HZ   . PHE   A 47  ? 0.23455228 0.14342727 0.08156306 0.00767435  -0.00473090 -0.01875670 159 PHE   A HZ   
776  N  N    . ASN   A 48  ? 0.21385144 0.13137932 0.08331991 0.01068504  0.02207899  -0.00946908 160 ASN   A N    
777  C  CA   . ASN   A 48  ? 0.23817505 0.13289388 0.08477603 0.01074146  -0.00022392 -0.02140213 160 ASN   A CA   
778  C  C    . ASN   A 48  ? 0.23568726 0.13320264 0.07529357 0.01572113  0.00487019  -0.01301968 160 ASN   A C    
779  O  O    . ASN   A 48  ? 0.24549749 0.16378084 0.06300634 0.01889861  0.01804085  -0.02810594 160 ASN   A O    
780  C  CB   . ASN   A 48  ? 0.23874091 0.15971473 0.08827581 0.01403799  0.01832584  -0.00126735 160 ASN   A CB   
781  C  CG   . ASN   A 48  ? 0.24198112 0.15676898 0.12189518 0.02677933  0.01354381  -0.01920647 160 ASN   A CG   
782  O  OD1  . ASN   A 48  ? 0.28959385 0.17185916 0.14942667 0.03807567  -0.01443596 -0.01772271 160 ASN   A OD1  
783  N  ND2  . ASN   A 48  ? 0.25270006 0.12556744 0.15906355 0.01795936  0.02501824  -0.00461037 160 ASN   A ND2  
784  H  H    . ASN   A 48  ? 0.21586095 0.12886852 0.08172578 0.00927949  0.01628529  -0.01358504 160 ASN   A H    
785  H  HA   . ASN   A 48  ? 0.23528720 0.13654789 0.08418121 0.01240103  0.00829159  -0.01445065 160 ASN   A HA   
786  H  HB2  . ASN   A 48  ? 0.23969974 0.15256709 0.09505322 0.01525796  0.01240575  -0.00890234 160 ASN   A HB2  
787  H  HB3  . ASN   A 48  ? 0.23907630 0.15231745 0.09452373 0.01582929  0.01278891  -0.00962839 160 ASN   A HB3  
788  H  HD21 . ASN   A 48  ? 0.25027755 0.13429779 0.14580177 0.01948235  0.02181034  -0.00944675 160 ASN   A HD21 
789  H  HD22 . ASN   A 48  ? 0.24972615 0.12763201 0.14694576 0.01999172  0.02148335  -0.00879005 160 ASN   A HD22 
790  N  N    . PRO   A 49  ? 0.24647212 0.15997621 0.06980209 0.03054275  0.00206286  -0.02699360 161 PRO   A N    
791  C  CA   . PRO   A 49  ? 0.23584925 0.14593460 0.08907938 0.03384800  0.00646449  -0.03032955 161 PRO   A CA   
792  C  C    . PRO   A 49  ? 0.24331708 0.14892885 0.09476925 0.03259682  -0.00630341 -0.03735647 161 PRO   A C    
793  O  O    . PRO   A 49  ? 0.25904122 0.16625057 0.14113359 0.02664199  0.01214810  -0.01834415 161 PRO   A O    
794  C  CB   . PRO   A 49  ? 0.25293592 0.16757092 0.08169636 0.03833450  -0.00053912 -0.03017264 161 PRO   A CB   
795  C  CG   . PRO   A 49  ? 0.23451203 0.16705388 0.07408476 0.04198311  -0.00291813 -0.02852267 161 PRO   A CG   
796  C  CD   . PRO   A 49  ? 0.24862191 0.15700096 0.06992045 0.03655079  0.00826395  -0.03495724 161 PRO   A CD   
797  H  HA   . PRO   A 49  ? 0.23948266 0.15248872 0.08483811 0.03339320  0.00355337  -0.03072605 161 PRO   A HA   
798  H  HB2  . PRO   A 49  ? 0.24668264 0.16343381 0.08224568 0.03932242  0.00011828  -0.03003066 161 PRO   A HB2  
799  H  HB3  . PRO   A 49  ? 0.24544847 0.16275053 0.08270530 0.03836230  0.00012909  -0.02970748 161 PRO   A HB3  
800  H  HG2  . PRO   A 49  ? 0.23791611 0.16480035 0.07451759 0.04064989  -0.00079177 -0.03017104 161 PRO   A HG2  
801  H  HG3  . PRO   A 49  ? 0.24071002 0.16494623 0.07474525 0.04022605  -0.00014818 -0.03034938 161 PRO   A HG3  
802  H  HD2  . PRO   A 49  ? 0.24494997 0.15945622 0.07120888 0.03614248  0.00463267  -0.03187371 161 PRO   A HD2  
803  H  HD3  . PRO   A 49  ? 0.24495530 0.15829347 0.07092597 0.03588529  0.00437914  -0.03199985 161 PRO   A HD3  
804  N  N    . ARG   A 50  ? 0.24935177 0.15069076 0.10228163 0.03959700  0.00253063  -0.02870595 162 ARG   A N    
805  C  CA   . ARG   A 50  ? 0.27818453 0.15800150 0.10480727 0.01824942  -0.01146067 -0.05451188 162 ARG   A CA   
806  C  C    . ARG   A 50  ? 0.29186153 0.16106521 0.11548106 0.04589259  -0.01240928 -0.05987881 162 ARG   A C    
807  O  O    . ARG   A 50  ? 0.30204263 0.16204555 0.12114164 0.03957191  -0.02989484 -0.05767004 162 ARG   A O    
808  C  CB   . ARG   A 50  ? 0.27252585 0.17233124 0.11219050 0.00776375  -0.00866539 -0.02997129 162 ARG   A CB   
809  C  CG   . ARG   A 50  ? 0.27842891 0.17287707 0.13054638 0.00771577  -0.02253988 -0.04369964 162 ARG   A CG   
810  C  CD   . ARG   A 50  ? 0.29343575 0.15875882 0.14411156 0.02910499  -0.02428295 -0.04636280 162 ARG   A CD   
811  N  NE   . ARG   A 50  ? 0.26425263 0.17339952 0.12395346 0.03782099  -0.01090937 -0.04240078 162 ARG   A NE   
812  C  CZ   . ARG   A 50  ? 0.28349265 0.18828115 0.11972798 0.04431002  -0.02749335 -0.03721245 162 ARG   A CZ   
813  N  NH1  . ARG   A 50  ? 0.28944585 0.18963231 0.08381242 0.05302703  -0.03675967 -0.02217808 162 ARG   A NH1  
814  N  NH2  . ARG   A 50  ? 0.29344222 0.16785353 0.10945725 0.04693848  -0.02110128 -0.02367180 162 ARG   A NH2  
815  H  H    . ARG   A 50  ? 0.25248408 0.15146625 0.10027078 0.03287630  -0.00150674 -0.03553829 162 ARG   A H    
816  H  HA   . ARG   A 50  ? 0.27503049 0.15942049 0.10782546 0.02591667  -0.00901604 -0.04600441 162 ARG   A HA   
817  H  HB2  . ARG   A 50  ? 0.27263141 0.16887337 0.11346959 0.00924134  -0.01071564 -0.03784594 162 ARG   A HB2  
818  H  HB3  . ARG   A 50  ? 0.27462217 0.16915724 0.11422602 0.00990454  -0.01193653 -0.03826647 162 ARG   A HB3  
819  H  HG2  . ARG   A 50  ? 0.28022891 0.17039840 0.12922293 0.01229239  -0.01975257 -0.04123362 162 ARG   A HG2  
820  H  HG3  . ARG   A 50  ? 0.28003001 0.17245261 0.12917119 0.01221947  -0.01956222 -0.04161792 162 ARG   A HG3  
821  H  HD2  . ARG   A 50  ? 0.28698674 0.16520742 0.13745856 0.02754656  -0.02307213 -0.04504561 162 ARG   A HD2  
822  H  HD3  . ARG   A 50  ? 0.28411853 0.16289112 0.13611478 0.02696098  -0.02128298 -0.04396427 162 ARG   A HD3  
823  H  HE   . ARG   A 50  ? 0.27224255 0.17136246 0.12719615 0.03952960  -0.01709757 -0.04194383 162 ARG   A HE   
824  H  HH11 . ARG   A 50  ? 0.28500557 0.18863979 0.09075489 0.05035135  -0.03696656 -0.02677321 162 ARG   A HH11 
825  H  HH12 . ARG   A 50  ? 0.28686738 0.18793619 0.09364346 0.05007156  -0.03421916 -0.02769984 162 ARG   A HH12 
826  H  HH21 . ARG   A 50  ? 0.29082832 0.17401908 0.11284678 0.04631305  -0.02249112 -0.02763755 162 ARG   A HH21 
827  H  HH22 . ARG   A 50  ? 0.28982052 0.17358208 0.11280225 0.04643675  -0.02267873 -0.02785665 162 ARG   A HH22 
828  N  N    . PHE   A 51  ? 0.29260135 0.14888765 0.11454266 0.03342495  -0.02643496 -0.04132441 163 PHE   A N    
829  C  CA   . PHE   A 51  ? 0.32264769 0.18382137 0.11246938 0.03966178  -0.03332488 -0.05275704 163 PHE   A CA   
830  C  C    . PHE   A 51  ? 0.34918144 0.18907501 0.14149489 0.04078680  -0.03751101 -0.05968389 163 PHE   A C    
831  O  O    . PHE   A 51  ? 0.38453853 0.17647983 0.16350380 0.05060565  -0.02226021 -0.07093649 163 PHE   A O    
832  C  CB   . PHE   A 51  ? 0.32140353 0.19058488 0.16246659 0.02110177  -0.03212391 -0.04751258 163 PHE   A CB   
833  C  CG   . PHE   A 51  ? 0.30144769 0.20178242 0.17741767 0.00342244  -0.03985866 -0.03727160 163 PHE   A CG   
834  C  CD1  . PHE   A 51  ? 0.32270297 0.20808691 0.17155139 0.02440265  -0.02041411 -0.02171522 163 PHE   A CD1  
835  C  CD2  . PHE   A 51  ? 0.30795261 0.24774760 0.21200807 -0.00948785 -0.04295760 -0.02674746 163 PHE   A CD2  
836  C  CE1  . PHE   A 51  ? 0.31388366 0.25265571 0.18979293 0.01960823  -0.01841062 -0.01337311 163 PHE   A CE1  
837  C  CE2  . PHE   A 51  ? 0.30596206 0.23433977 0.21002594 -0.00775879 -0.01742169 -0.00320304 163 PHE   A CE2  
838  C  CZ   . PHE   A 51  ? 0.32147604 0.23404458 0.17499699 0.01214872  -0.02333968 0.01556407  163 PHE   A CZ   
839  H  H    . PHE   A 51  ? 0.29746172 0.15904030 0.11434685 0.03686205  -0.02365854 -0.04755722 163 PHE   A H    
840  H  HA   . PHE   A 51  ? 0.31973794 0.17767765 0.12485224 0.03551130  -0.03197638 -0.05033696 163 PHE   A HA   
841  H  HB2  . PHE   A 51  ? 0.31781566 0.19188954 0.15581645 0.02231554  -0.03498171 -0.04731514 163 PHE   A HB2  
842  H  HB3  . PHE   A 51  ? 0.31786507 0.19276643 0.15538876 0.02200411  -0.03416940 -0.04568134 163 PHE   A HB3  
843  H  HD1  . PHE   A 51  ? 0.31502706 0.21392101 0.17467737 0.01865785  -0.02500510 -0.02345045 163 PHE   A HD1  
844  H  HD2  . PHE   A 51  ? 0.30686751 0.23668525 0.20580950 -0.00692144 -0.03771298 -0.01987143 163 PHE   A HD2  
845  H  HE1  . PHE   A 51  ? 0.31767684 0.23866457 0.18420927 0.01796201  -0.02121806 -0.00773885 163 PHE   A HE1  
846  H  HE2  . PHE   A 51  ? 0.31043062 0.23709047 0.20887494 -0.00333868 -0.02240854 -0.00510375 163 PHE   A HE2  
847  H  HZ   . PHE   A 51  ? 0.31441456 0.23403612 0.18579252 0.01203691  -0.02212480 0.00572938  163 PHE   A HZ   
848  N  N    . ASN   A 52  ? 0.36857930 0.19757518 0.16994959 0.04617279  -0.06468301 -0.05957366 164 ASN   A N    
849  C  CA   . ASN   A 52  ? 0.40312889 0.21542126 0.24704567 0.04692134  -0.06103928 -0.01547137 164 ASN   A CA   
850  C  C    . ASN   A 52  ? 0.39165917 0.20806083 0.20719257 0.07373987  -0.03968101 0.00640157  164 ASN   A C    
851  O  O    . ASN   A 52  ? 0.47207186 0.28877982 0.26311457 0.03780321  -0.04758369 0.07077218  164 ASN   A O    
852  C  CB   . ASN   A 52  ? 0.43655938 0.23085828 0.37601179 0.03857350  -0.07826681 -0.02482542 164 ASN   A CB   
853  C  CG   . ASN   A 52  ? 0.47935963 0.28533965 0.49949425 0.06339674  -0.08265516 -0.00359114 164 ASN   A CG   
854  O  OD1  . ASN   A 52  ? 0.51343274 0.37203628 0.47804821 0.07880715  -0.05380106 0.02485465  164 ASN   A OD1  
855  N  ND2  . ASN   A 52  ? 0.53323627 0.36939064 0.60528493 0.00084382  -0.11421159 -0.02189369 164 ASN   A ND2  
856  H  H    . ASN   A 52  ? 0.36738908 0.19635448 0.16996902 0.04558992  -0.05550381 -0.05313136 164 ASN   A H    
857  H  HA   . ASN   A 52  ? 0.39821833 0.21167910 0.24061854 0.05061759  -0.06204941 -0.02262428 164 ASN   A HA   
858  H  HB2  . ASN   A 52  ? 0.43579537 0.23463209 0.36194408 0.04518493  -0.07271613 -0.01844010 164 ASN   A HB2  
859  H  HB3  . ASN   A 52  ? 0.43618217 0.23483209 0.36326936 0.04515389  -0.07737689 -0.01815913 164 ASN   A HB3  
860  H  HD21 . ASN   A 52  ? 0.52430886 0.34514210 0.56787318 0.01919186  -0.10278328 -0.01545106 164 ASN   A HD21 
861  H  HD22 . ASN   A 52  ? 0.52611625 0.36284146 0.56898862 0.00816110  -0.10367033 -0.01453511 164 ASN   A HD22 
862  N  N    . GLU   A 53  ? 0.37929031 0.20434526 0.16496536 0.09094147  -0.04215886 -0.03682572 165 GLU   A N    
863  C  CA   . GLU   A 53  ? 0.40875080 0.20967078 0.14171280 0.08046674  -0.04474453 -0.04825101 165 GLU   A CA   
864  C  C    . GLU   A 53  ? 0.40811178 0.20607007 0.19201055 0.08982509  -0.03485126 -0.06597850 165 GLU   A C    
865  O  O    . GLU   A 53  ? 0.41366610 0.21019292 0.19259518 0.07838473  -0.02001500 -0.05598214 165 GLU   A O    
866  C  CB   . GLU   A 53  ? 0.40945342 0.21217701 0.15144315 0.09821654  -0.03594837 -0.07233268 165 GLU   A CB   
867  C  CG   . GLU   A 53  ? 0.39647976 0.24763733 0.13536876 0.06937928  -0.02157415 -0.07376252 165 GLU   A CG   
868  C  CD   . GLU   A 53  ? 0.37765038 0.25317511 0.17179649 0.07164472  -0.02980247 -0.09512797 165 GLU   A CD   
869  O  OE1  . GLU   A 53  ? 0.41146636 0.30930164 0.22013435 0.06733787  -0.03145554 -0.11553194 165 GLU   A OE1  
870  O  OE2  . GLU   A 53  ? 0.41488129 0.28081265 0.18493395 0.06405379  -0.02859297 -0.10813147 165 GLU   A OE2  
871  H  H    . GLU   A 53  ? 0.38861263 0.20754206 0.17003834 0.08482705  -0.04234649 -0.03129238 165 GLU   A H    
872  H  HA   . GLU   A 53  ? 0.40303895 0.20731154 0.15199664 0.08581649  -0.03956041 -0.04985495 165 GLU   A HA   
873  H  HB2  . GLU   A 53  ? 0.40341479 0.21844152 0.14605139 0.09012156  -0.03381807 -0.06841366 165 GLU   A HB2  
874  H  HB3  . GLU   A 53  ? 0.40650991 0.22017911 0.14946648 0.08917491  -0.03590107 -0.06935704 165 GLU   A HB3  
875  H  HG2  . GLU   A 53  ? 0.39787918 0.24375978 0.14621210 0.07317212  -0.02683684 -0.07682999 165 GLU   A HG2  
876  H  HG3  . GLU   A 53  ? 0.39419025 0.24130106 0.14047374 0.07467031  -0.02349185 -0.07603365 165 GLU   A HG3  
877  N  N    . ASN   A 54  ? 0.43529466 0.21024957 0.17023869 0.08448995  -0.05979382 -0.08139702 166 ASN   A N    
878  C  CA   . ASN   A 54  ? 0.45160297 0.24146129 0.14615704 0.11539840  -0.04768000 -0.07685319 166 ASN   A CA   
879  C  C    . ASN   A 54  ? 0.43397304 0.22375631 0.14578152 0.10507558  -0.04052163 -0.06800047 166 ASN   A C    
880  O  O    . ASN   A 54  ? 0.45841765 0.23736989 0.14947210 0.09727570  -0.02104177 -0.09587441 166 ASN   A O    
881  C  CB   . ASN   A 54  ? 0.48766616 0.23181517 0.24297768 0.12351257  -0.06050590 -0.11736436 166 ASN   A CB   
882  C  CG   . ASN   A 54  ? 0.50119209 0.37937987 0.30066338 0.15031694  -0.06395237 -0.10968945 166 ASN   A CG   
883  O  OD1  . ASN   A 54  ? 0.57013702 0.55264497 0.38729504 0.11383167  -0.02549554 -0.16623037 166 ASN   A OD1  
884  N  ND2  . ASN   A 54  ? 0.54453301 0.38940379 0.36377689 0.14380589  -0.08264752 -0.08023567 166 ASN   A ND2  
885  H  H    . ASN   A 54  ? 0.43284529 0.21575055 0.17229275 0.09268194  -0.05270015 -0.07731086 166 ASN   A H    
886  H  HA   . ASN   A 54  ? 0.45127755 0.23136310 0.16729555 0.10913533  -0.05090801 -0.08227775 166 ASN   A HA   
887  H  HB2  . ASN   A 54  ? 0.48001355 0.25698620 0.23416677 0.12638405  -0.05705424 -0.10383437 166 ASN   A HB2  
888  H  HB3  . ASN   A 54  ? 0.47928256 0.25474373 0.22695570 0.12571622  -0.05721223 -0.10376007 166 ASN   A HB3  
889  H  HD21 . ASN   A 54  ? 0.53366244 0.38265502 0.33933485 0.14549461  -0.08005415 -0.09003916 166 ASN   A HD21 
890  H  HD22 . ASN   A 54  ? 0.53720254 0.39231676 0.34565187 0.13958916  -0.08153798 -0.08554124 166 ASN   A HD22 
891  N  N    . ASN   A 55  ? 0.43271333 0.24948192 0.11124110 0.10557934  -0.03702975 -0.04492195 167 ASN   A N    
892  C  CA   . ASN   A 55  ? 0.42898038 0.21470246 0.12263550 0.10045915  -0.04532176 -0.06617104 167 ASN   A CA   
893  C  C    . ASN   A 55  ? 0.44093901 0.23760875 0.13552025 0.09103458  0.00113812  -0.04538335 167 ASN   A C    
894  O  O    . ASN   A 55  ? 0.50126600 0.30446887 0.14527757 0.10404812  -0.00456217 -0.06867966 167 ASN   A O    
895  C  CB   . ASN   A 55  ? 0.43051815 0.22169906 0.14860587 0.09379028  -0.03551221 -0.07471684 167 ASN   A CB   
896  C  CG   . ASN   A 55  ? 0.42899451 0.21984029 0.20860146 0.10383286  -0.00985789 -0.07331685 167 ASN   A CG   
897  O  OD1  . ASN   A 55  ? 0.50797498 0.21320109 0.18984541 0.09851567  -0.01520822 -0.03790171 167 ASN   A OD1  
898  N  ND2  . ASN   A 55  ? 0.45307070 0.26448783 0.28431755 0.08546240  -0.03175706 -0.04522055 167 ASN   A ND2  
899  H  H    . ASN   A 55  ? 0.43001103 0.23535886 0.11982332 0.10413080  -0.03749185 -0.05502826 167 ASN   A H    
900  H  HA   . ASN   A 55  ? 0.43130344 0.22616979 0.12970382 0.09833121  -0.03401957 -0.05991877 167 ASN   A HA   
901  H  HB2  . ASN   A 55  ? 0.42996678 0.21998644 0.15268245 0.09741447  -0.03263883 -0.07266266 167 ASN   A HB2  
902  H  HB3  . ASN   A 55  ? 0.42983323 0.22018421 0.14830217 0.09721757  -0.03355613 -0.07307589 167 ASN   A HB3  
903  H  HD21 . ASN   A 55  ? 0.44684112 0.25072971 0.25867525 0.08992885  -0.02224132 -0.05797497 167 ASN   A HD21 
904  H  HD22 . ASN   A 55  ? 0.44627577 0.25164157 0.25992098 0.09264399  -0.02532889 -0.05716525 167 ASN   A HD22 
905  N  N    A ARG   A 56  ? 0.44004008 0.25304896 0.17118591 0.09854635  -0.01512871 -0.04131889 168 ARG   A N    
906  N  N    B ARG   A 56  ? 0.42579481 0.25791472 0.14804308 0.09879300  0.00371424  -0.04770426 168 ARG   A N    
907  C  CA   A ARG   A 56  ? 0.42698777 0.23646779 0.22596888 0.10219096  -0.01918385 -0.03288283 168 ARG   A CA   
908  C  CA   B ARG   A 56  ? 0.40566036 0.24115363 0.19205651 0.10260881  0.00756488  -0.04947376 168 ARG   A CA   
909  C  C    A ARG   A 56  ? 0.37067512 0.21317559 0.15329917 0.07604286  -0.01987107 -0.04641265 168 ARG   A C    
910  C  C    B ARG   A 56  ? 0.36286685 0.22373551 0.08958672 0.07952163  0.00108998  -0.06541044 168 ARG   A C    
911  O  O    A ARG   A 56  ? 0.32782337 0.19917899 0.18543363 0.08046693  -0.00781121 -0.05940901 168 ARG   A O    
912  O  O    B ARG   A 56  ? 0.34851485 0.23514657 0.06324590 0.07222027  -0.02898602 -0.08623314 168 ARG   A O    
913  C  CB   A ARG   A 56  ? 0.45097414 0.28481859 0.25040501 0.09115858  -0.04102490 -0.01580081 168 ARG   A CB   
914  C  CB   B ARG   A 56  ? 0.39108658 0.27856436 0.21940966 0.10338089  0.02573216  -0.03552322 168 ARG   A CB   
915  C  CG   A ARG   A 56  ? 0.47875449 0.35042328 0.26265031 0.09882693  -0.06571468 -0.01387412 168 ARG   A CG   
916  C  CG   B ARG   A 56  ? 0.41413009 0.34188458 0.22072193 0.09810959  0.03246037  -0.05537276 168 ARG   A CG   
917  C  CD   A ARG   A 56  ? 0.50452638 0.38876456 0.16518164 0.09437586  -0.10979345 -0.03186572 168 ARG   A CD   
918  C  CD   B ARG   A 56  ? 0.40365392 0.38221300 0.16091047 0.10838434  0.01296831  -0.09692016 168 ARG   A CD   
919  N  NE   A ARG   A 56  ? 0.54826850 0.42604899 0.17508799 0.11325860  -0.10264127 -0.05408607 168 ARG   A NE   
920  N  NE   B ARG   A 56  ? 0.45127201 0.41873291 0.16308735 0.14743124  0.03499940  -0.13495785 168 ARG   A NE   
921  C  CZ   A ARG   A 56  ? 0.51847172 0.43189624 0.17566106 0.10906464  -0.11355981 -0.06503268 168 ARG   A CZ   
922  C  CZ   B ARG   A 56  ? 0.46650800 0.44187665 0.21776703 0.15631036  0.00941040  -0.12308931 168 ARG   A CZ   
923  N  NH1  A ARG   A 56  ? 0.58698541 0.45686150 0.19170354 0.09160031  -0.12490591 -0.07312204 168 ARG   A NH1  
924  N  NH1  B ARG   A 56  ? 0.49025959 0.44421500 0.29426411 0.19343613  -0.00340997 -0.16012564 168 ARG   A NH1  
925  N  NH2  A ARG   A 56  ? 0.52138811 0.47798431 0.25985157 0.12050027  -0.10550003 -0.03519168 168 ARG   A NH2  
926  N  NH2  B ARG   A 56  ? 0.47206467 0.45725697 0.24084064 0.15911222  0.02729291  -0.12410533 168 ARG   A NH2  
927  H  H    A ARG   A 56  ? 0.43729112 0.24528104 0.17203884 0.09763000  -0.01269421 -0.04109490 168 ARG   A H    
928  H  H    B ARG   A 56  ? 0.42516112 0.24878940 0.14912212 0.09795300  0.00333973  -0.04844818 168 ARG   A H    
929  H  HA   A ARG   A 56  ? 0.41959959 0.24193221 0.21711919 0.09454150  -0.02086359 -0.03081413 168 ARG   A HA   
930  H  HA   B ARG   A 56  ? 0.39746231 0.24606544 0.18162654 0.09764291  0.01081566  -0.04566301 168 ARG   A HA   
931  H  HB2  A ARG   A 56  ? 0.44988981 0.28453487 0.24996337 0.09517407  -0.04052301 -0.01835540 168 ARG   A HB2  
932  H  HB2  B ARG   A 56  ? 0.39927575 0.28074977 0.21772608 0.10216425  0.02367486  -0.04248500 168 ARG   A HB2  
933  H  HB3  A ARG   A 56  ? 0.45007297 0.28370759 0.24670887 0.09512658  -0.04051412 -0.01843350 168 ARG   A HB3  
934  H  HB3  B ARG   A 56  ? 0.39916047 0.27803367 0.21339343 0.10227254  0.02297783  -0.04168745 168 ARG   A HB3  
935  H  HG2  A ARG   A 56  ? 0.47825167 0.34652525 0.25382552 0.09640654  -0.06880114 -0.01278815 168 ARG   A HG2  
936  H  HG2  B ARG   A 56  ? 0.40640992 0.33699560 0.20757443 0.10190973  0.02718600  -0.05880976 168 ARG   A HG2  
937  H  HG3  A ARG   A 56  ? 0.47814167 0.34682086 0.24119155 0.09651031  -0.06928968 -0.02030399 168 ARG   A HG3  
938  H  HG3  B ARG   A 56  ? 0.40710697 0.34017083 0.21147437 0.10341521  0.02873429  -0.05537599 168 ARG   A HG3  
939  H  HD2  A ARG   A 56  ? 0.50828260 0.38495374 0.17786825 0.09920135  -0.09851797 -0.03735748 168 ARG   A HD2  
940  H  HD2  B ARG   A 56  ? 0.41555095 0.37846714 0.17192014 0.11366966  0.02168443  -0.09648669 168 ARG   A HD2  
941  H  HD3  A ARG   A 56  ? 0.50803775 0.38580263 0.18176857 0.09850009  -0.09768040 -0.03077980 168 ARG   A HD3  
942  H  HD3  B ARG   A 56  ? 0.41544864 0.37841767 0.16729593 0.11413375  0.02158590  -0.09991601 168 ARG   A HD3  
943  H  HE   A ARG   A 56  ? 0.53138423 0.42283726 0.17337412 0.10951768  -0.10717031 -0.05267983 168 ARG   A HE   
944  H  HE   B ARG   A 56  ? 0.44364566 0.41655380 0.17367658 0.14210494  0.02359345  -0.12421290 168 ARG   A HE   
945  H  HH11 A ARG   A 56  ? 0.57368052 0.44970882 0.18711831 0.09837413  -0.12288256 -0.07074904 168 ARG   A HH11 
946  H  HH11 B ARG   A 56  ? 0.48251706 0.43993044 0.26992315 0.18463956  0.00038779  -0.14923015 168 ARG   A HH11 
947  H  HH12 A ARG   A 56  ? 0.56761360 0.45167232 0.18714611 0.09857284  -0.12202261 -0.07131453 168 ARG   A HH12 
948  H  HH12 B ARG   A 56  ? 0.48494208 0.44741404 0.27071416 0.18592912  -0.00089552 -0.15086228 168 ARG   A HH12 
949  H  HH21 A ARG   A 56  ? 0.52128154 0.46260527 0.23077248 0.11651999  -0.10804984 -0.04480631 168 ARG   A HH21 
950  H  HH21 B ARG   A 56  ? 0.47051361 0.45461616 0.23358411 0.15742595  0.02192553  -0.12374973 168 ARG   A HH21 
951  H  HH22 A ARG   A 56  ? 0.52192247 0.46432650 0.23080656 0.11511354  -0.10773429 -0.04508787 168 ARG   A HH22 
952  H  HH22 B ARG   A 56  ? 0.46962762 0.45290810 0.23349874 0.15821701  0.02217400  -0.12384419 168 ARG   A HH22 
953  N  N    . ARG   A 57  ? 0.34640115 0.19610947 0.12647848 0.07049771  -0.00363005 -0.04911850 169 ARG   A N    
954  C  CA   . ARG   A 57  ? 0.32335216 0.17722547 0.12815759 0.05149571  -0.02273056 -0.04674555 169 ARG   A CA   
955  C  C    . ARG   A 57  ? 0.28970894 0.15691921 0.15406650 0.05058134  0.01000664  -0.04422089 169 ARG   A C    
956  O  O    . ARG   A 57  ? 0.37073106 0.22618148 0.15638593 0.02145633  0.06084463  -0.08815832 169 ARG   A O    
957  C  CB   . ARG   A 57  ? 0.36393791 0.18540470 0.14902285 0.07375108  -0.04627105 -0.02969222 169 ARG   A CB   
958  C  CG   . ARG   A 57  ? 0.38463566 0.20678768 0.15366265 0.08002865  -0.05440505 -0.04322542 169 ARG   A CG   
959  C  CD   . ARG   A 57  ? 0.39514628 0.22753863 0.18324925 0.10176492  -0.06200372 -0.04615310 169 ARG   A CD   
960  N  NE   . ARG   A 57  ? 0.42941958 0.26097247 0.15451531 0.10225257  -0.06246392 -0.07474406 169 ARG   A NE   
961  C  CZ   . ARG   A 57  ? 0.41679472 0.29948729 0.16807684 0.13093877  -0.02960062 -0.04770586 169 ARG   A CZ   
962  N  NH1  . ARG   A 57  ? 0.48501140 0.39454979 0.09641162 0.12688224  -0.01729544 -0.03822205 169 ARG   A NH1  
963  N  NH2  . ARG   A 57  ? 0.41776508 0.37329572 0.22533321 0.10730088  -0.05196081 -0.00818701 169 ARG   A NH2  
964  H  H    . ARG   A 57  ? 0.34896001 0.20053537 0.12342007 0.07012758  -0.00821593 -0.05113428 169 ARG   A H    
965  H  HA   . ARG   A 57  ? 0.32650805 0.17839745 0.13492259 0.05829494  -0.01646577 -0.04437830 169 ARG   A HA   
966  H  HB2  . ARG   A 57  ? 0.35840020 0.18832436 0.14593416 0.07009865  -0.04313787 -0.03715006 169 ARG   A HB2  
967  H  HB3  . ARG   A 57  ? 0.35770133 0.18842338 0.14489312 0.06868292  -0.04234185 -0.03619866 169 ARG   A HB3  
968  H  HG2  . ARG   A 57  ? 0.38143373 0.20528194 0.15776001 0.08236431  -0.05355814 -0.04058132 169 ARG   A HG2  
969  H  HG3  . ARG   A 57  ? 0.38227627 0.20619377 0.15821779 0.08203430  -0.05411821 -0.04023224 169 ARG   A HG3  
970  H  HD2  . ARG   A 57  ? 0.39985812 0.23131488 0.17019409 0.09735284  -0.05986094 -0.05124213 169 ARG   A HD2  
971  H  HD3  . ARG   A 57  ? 0.40003079 0.23147440 0.17002897 0.09740878  -0.06009131 -0.05111175 169 ARG   A HD3  
972  H  HE   . ARG   A 57  ? 0.42251426 0.26042086 0.16311879 0.10865566  -0.05539057 -0.06152643 169 ARG   A HE   
973  H  HH11 . ARG   A 57  ? 0.46545330 0.36301914 0.12415950 0.12744085  -0.01979087 -0.04173650 169 ARG   A HH11 
974  H  HH12 . ARG   A 57  ? 0.46946144 0.36130685 0.12241498 0.12935190  -0.02237995 -0.04181373 169 ARG   A HH12 
975  H  HH21 . ARG   A 57  ? 0.41896051 0.34830433 0.20546266 0.11411947  -0.04320629 -0.02275520 169 ARG   A HH21 
976  H  HH22 . ARG   A 57  ? 0.41792625 0.34698153 0.20733082 0.11548791  -0.04574175 -0.02458404 169 ARG   A HH22 
977  N  N    . VAL   A 58  ? 0.28177074 0.17949332 0.12471655 0.04661110  -0.00960610 -0.04384090 170 VAL   A N    
978  C  CA   . VAL   A 58  ? 0.29010886 0.18925163 0.12968601 0.04061265  0.00041901  -0.06095436 170 VAL   A CA   
979  C  C    . VAL   A 58  ? 0.25771481 0.18524602 0.11177447 0.03767498  -0.00520884 -0.04768221 170 VAL   A C    
980  O  O    . VAL   A 58  ? 0.28510809 0.19043557 0.15448567 0.01877690  0.02947989  -0.07290933 170 VAL   A O    
981  C  CB   . VAL   A 58  ? 0.29533961 0.19590592 0.17103015 0.04468717  -0.01150849 -0.05984098 170 VAL   A CB   
982  C  CG1  . VAL   A 58  ? 0.29881307 0.21556112 0.11639632 0.04184511  -0.04145405 -0.05565465 170 VAL   A CG1  
983  C  CG2  . VAL   A 58  ? 0.31976524 0.22152790 0.22364262 0.02738915  -0.01847025 -0.07439265 170 VAL   A CG2  
984  H  H    . VAL   A 58  ? 0.28567323 0.17689371 0.13197671 0.04635106  -0.00325547 -0.04755126 170 VAL   A H    
985  H  HA   . VAL   A 58  ? 0.28318503 0.18767402 0.13176112 0.04185993  -0.00425379 -0.05508088 170 VAL   A HA   
986  H  HB   . VAL   A 58  ? 0.29747275 0.20030998 0.15896194 0.04231422  -0.01474416 -0.06304264 170 VAL   A HB   
987  H  HG11 . VAL   A 58  ? 0.29786816 0.21204081 0.13070893 0.04147719  -0.03456306 -0.05525443 170 VAL   A HG11 
988  H  HG12 . VAL   A 58  ? 0.29722944 0.21092212 0.13001081 0.04282409  -0.03403904 -0.05608487 170 VAL   A HG12 
989  H  HG13 . VAL   A 58  ? 0.29422328 0.21066020 0.12833123 0.04393461  -0.03660860 -0.05544636 170 VAL   A HG13 
990  H  HG21 . VAL   A 58  ? 0.31643319 0.21549062 0.21118858 0.03059566  -0.01408551 -0.07112180 170 VAL   A HG21 
991  H  HG22 . VAL   A 58  ? 0.31471401 0.21556234 0.21352649 0.03281773  -0.01881814 -0.07171652 170 VAL   A HG22 
992  H  HG23 . VAL   A 58  ? 0.31460756 0.21823296 0.20920750 0.02955501  -0.01780554 -0.06748340 170 VAL   A HG23 
993  N  N    . ILE   A 59  ? 0.25608176 0.18798208 0.09335814 0.03570309  0.00843235  -0.02990953 171 ILE   A N    
994  C  CA   . ILE   A 59  ? 0.26683563 0.17143328 0.10622112 0.02860427  0.00323227  -0.04228965 171 ILE   A CA   
995  C  C    . ILE   A 59  ? 0.24154060 0.17351928 0.08971873 0.02834314  0.01499915  -0.03496058 171 ILE   A C    
996  O  O    . ILE   A 59  ? 0.27189413 0.20362689 0.09661469 0.00172377  0.02576658  -0.03164443 171 ILE   A O    
997  C  CB   . ILE   A 59  ? 0.30192548 0.19317724 0.13834150 0.04996693  -0.01068803 -0.04018335 171 ILE   A CB   
998  C  CG1  . ILE   A 59  ? 0.35534966 0.21516767 0.14851755 0.04619904  -0.00710091 -0.05882992 171 ILE   A CG1  
999  C  CG2  . ILE   A 59  ? 0.29756784 0.16273668 0.14100263 0.04771555  -0.02292278 -0.02512979 171 ILE   A CG2  
1000 C  CD1  . ILE   A 59  ? 0.35212821 0.22321036 0.14868118 0.03107192  0.00266026  -0.10548195 171 ILE   A CD1  
1001 H  H    . ILE   A 59  ? 0.25658515 0.18352744 0.09866781 0.03361906  0.00692343  -0.03598483 171 ILE   A H    
1002 H  HA   . ILE   A 59  ? 0.26438713 0.17788982 0.10513706 0.03289119  0.00447969  -0.03839655 171 ILE   A HA   
1003 H  HB   . ILE   A 59  ? 0.30297428 0.18703911 0.13271543 0.04499177  -0.00930856 -0.04067330 171 ILE   A HB   
1004 H  HG12 . ILE   A 59  ? 0.34169191 0.21493983 0.14620857 0.04154560  -0.00669167 -0.06193732 171 ILE   A HG12 
1005 H  HG13 . ILE   A 59  ? 0.34174535 0.21219996 0.14606701 0.04344206  -0.00592755 -0.06375184 171 ILE   A HG13 
1006 H  HG21 . ILE   A 59  ? 0.29828116 0.16676946 0.13805653 0.04918487  -0.02024021 -0.02651142 171 ILE   A HG21 
1007 H  HG22 . ILE   A 59  ? 0.29837599 0.17012082 0.13962686 0.04811274  -0.01941773 -0.02909364 171 ILE   A HG22 
1008 H  HG23 . ILE   A 59  ? 0.29800147 0.16986251 0.13895300 0.04822756  -0.01978993 -0.02888999 171 ILE   A HG23 
1009 H  HD11 . ILE   A 59  ? 0.35157454 0.21941903 0.14810476 0.03679729  -0.00030440 -0.09282096 171 ILE   A HD11 
1010 H  HD12 . ILE   A 59  ? 0.35243487 0.22116700 0.14645636 0.03574923  -0.00107605 -0.09321322 171 ILE   A HD12 
1011 H  HD13 . ILE   A 59  ? 0.35279149 0.22391447 0.14978740 0.03655167  -0.00097328 -0.09474835 171 ILE   A HD13 
1012 N  N    . VAL   A 60  ? 0.23131502 0.16141270 0.09662436 0.00724090  0.01349578  -0.03422711 172 VAL   A N    
1013 C  CA   . VAL   A 60  ? 0.22073425 0.16433659 0.09667406 0.01090239  0.00992745  -0.01747820 172 VAL   A CA   
1014 C  C    . VAL   A 60  ? 0.22751030 0.16097125 0.08542021 0.01613847  0.00506451  -0.00404624 172 VAL   A C    
1015 O  O    . VAL   A 60  ? 0.21914166 0.16611730 0.11091518 0.01628767  0.01179867  -0.02111474 172 VAL   A O    
1016 C  CB   . VAL   A 60  ? 0.25441414 0.18064424 0.11558670 -0.00072622 0.01063482  -0.00500126 172 VAL   A CB   
1017 C  CG1  . VAL   A 60  ? 0.28212956 0.20826909 0.10383829 -0.00086927 0.00167920  0.00336025  172 VAL   A CG1  
1018 C  CG2  . VAL   A 60  ? 0.27658442 0.20192671 0.14732033 0.02470286  0.00874523  -0.01005166 172 VAL   A CG2  
1019 H  H    . VAL   A 60  ? 0.22981650 0.16433655 0.09527060 0.01218032  0.01311111  -0.03067633 172 VAL   A H    
1020 H  HA   . VAL   A 60  ? 0.22612099 0.16566363 0.09671961 0.00897747  0.01072453  -0.01605113 172 VAL   A HA   
1021 H  HB   . VAL   A 60  ? 0.25306067 0.18431479 0.11385306 0.00551858  0.00896011  -0.00686598 172 VAL   A HB   
1022 H  HG11 . VAL   A 60  ? 0.27724048 0.20067595 0.10793760 -0.00045861 0.00337654  0.00102116  172 VAL   A HG11 
1023 H  HG12 . VAL   A 60  ? 0.27506694 0.20298095 0.10833136 -0.00238603 0.00328922  0.00245722  172 VAL   A HG12 
1024 H  HG13 . VAL   A 60  ? 0.27454945 0.20075937 0.10798800 -0.00102196 0.00399348  0.00095733  172 VAL   A HG13 
1025 H  HG21 . VAL   A 60  ? 0.27057564 0.19825894 0.14061710 0.01742657  0.00952024  -0.01158210 172 VAL   A HG21 
1026 H  HG22 . VAL   A 60  ? 0.27158853 0.19595380 0.14115572 0.01802000  0.01182934  -0.00792757 172 VAL   A HG22 
1027 H  HG23 . VAL   A 60  ? 0.27384534 0.19619237 0.13851805 0.01795425  0.00887226  -0.00922158 172 VAL   A HG23 
1028 N  N    . CYS   A 61  ? 0.21022828 0.16581824 0.07001186 0.01256311  0.01386502  0.00332110  173 CYS   A N    
1029 C  CA   . CYS   A 61  ? 0.22796996 0.16934100 0.06226438 0.01314572  0.00496043  0.00159344  173 CYS   A CA   
1030 C  C    . CYS   A 61  ? 0.23159400 0.16646434 0.04687339 0.01500094  0.01070880  0.00724762  173 CYS   A C    
1031 O  O    . CYS   A 61  ? 0.23723844 0.21222034 0.05682665 0.03480019  0.01307175  -0.00721846 173 CYS   A O    
1032 C  CB   . CYS   A 61  ? 0.24313858 0.17057666 0.03787930 0.01961517  0.01332443  -0.00175288 173 CYS   A CB   
1033 S  SG   . CYS   A 61  ? 0.28636181 0.18546991 0.07354085 0.01584648  -0.01684590 -0.01017893 173 CYS   A SG   
1034 H  H    . CYS   A 61  ? 0.21368873 0.16549154 0.07162385 0.01368532  0.01136740  0.00101440  173 CYS   A H    
1035 H  HA   . CYS   A 61  ? 0.22840263 0.16800211 0.05775299 0.01450605  0.00902967  0.00191046  173 CYS   A HA   
1036 H  HB2  . CYS   A 61  ? 0.24366963 0.17193833 0.04887722 0.01742134  0.00735734  -0.00255338 173 CYS   A HB2  
1037 H  HB3  . CYS   A 61  ? 0.24511653 0.16946852 0.04817927 0.01828583  0.00731409  -0.00412832 173 CYS   A HB3  
1038 H  HG   . CYS   A 61  ? 0.18187150 0.18187150 0.18187150 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
1039 N  N    . ASN   A 62  ? 0.21507429 0.15142082 0.08618532 0.01126896  0.01937792  -0.00485190 174 ASN   A N    
1040 C  CA   . ASN   A 62  ? 0.20731263 0.14693983 0.08224919 0.01119113  0.01117796  0.00524646  174 ASN   A CA   
1041 C  C    . ASN   A 62  ? 0.20072584 0.13831156 0.08873654 -0.00477803 0.01011305  0.00064878  174 ASN   A C    
1042 O  O    . ASN   A 62  ? 0.20370960 0.15080197 0.10113073 -0.00205938 0.01745719  -0.00325170 174 ASN   A O    
1043 C  CB   . ASN   A 62  ? 0.21805455 0.14406680 0.07871157 0.02382068  0.00468846  -0.00722069 174 ASN   A CB   
1044 C  CG   . ASN   A 62  ? 0.21344547 0.16168058 0.09565255 0.00362404  0.00088947  -0.00092287 174 ASN   A CG   
1045 O  OD1  . ASN   A 62  ? 0.22430737 0.18318222 0.09299429 -0.00435845 0.00225609  0.00259753  174 ASN   A OD1  
1046 N  ND2  . ASN   A 62  ? 0.23846334 0.16887800 0.08962148 0.01339545  -0.01453853 -0.01105630 174 ASN   A ND2  
1047 H  H    . ASN   A 62  ? 0.21691696 0.15394971 0.07619727 0.01209158  0.01541529  0.00024661  174 ASN   A H    
1048 H  HA   . ASN   A 62  ? 0.20908558 0.14609601 0.08346244 0.01019410  0.01142275  0.00054480  174 ASN   A HA   
1049 H  HB2  . ASN   A 62  ? 0.21516988 0.14514910 0.07980974 0.01760520  0.00584378  -0.00656665 174 ASN   A HB2  
1050 H  HB3  . ASN   A 62  ? 0.21639864 0.14783415 0.08306789 0.01730123  0.00444832  -0.00405762 174 ASN   A HB3  
1051 H  HD21 . ASN   A 62  ? 0.23085393 0.16727062 0.09125383 0.01104748  -0.00947013 -0.00756776 174 ASN   A HD21 
1052 H  HD22 . ASN   A 62  ? 0.23056316 0.16732515 0.09090414 0.01057710  -0.01011198 -0.00766801 174 ASN   A HD22 
1053 N  N    . THR   A 63  ? 0.20407337 0.16236944 0.08308022 0.00045368  -0.00633618 0.00452940  175 THR   A N    
1054 C  CA   . THR   A 63  ? 0.20873228 0.15015100 0.07451955 -0.00362204 0.00981588  0.01534649  175 THR   A CA   
1055 C  C    . THR   A 63  ? 0.20229119 0.16847216 0.06026566 -0.00505388 0.00393448  0.00148281  175 THR   A C    
1056 O  O    . THR   A 63  ? 0.23636320 0.17349991 0.07535179 0.01240681  0.01032360  0.02415266  175 THR   A O    
1057 C  CB   . THR   A 63  ? 0.22418128 0.16163790 0.07712974 -0.01401147 0.01996779  0.02411597  175 THR   A CB   
1058 O  OG1  . THR   A 63  ? 0.23674537 0.16584429 0.06520057 -0.01334305 0.01115929  0.02225521  175 THR   A OG1  
1059 C  CG2  . THR   A 63  ? 0.24299715 0.18162127 0.09086926 -0.01257958 0.01309147  0.01407909  175 THR   A CG2  
1060 H  H    . THR   A 63  ? 0.20337482 0.15397000 0.08253974 -0.00095209 0.00104869  0.00594842  175 THR   A H    
1061 H  HA   . THR   A 63  ? 0.20898525 0.15779458 0.07353973 -0.00465906 0.00759773  0.01223507  175 THR   A HA   
1062 H  HB   . THR   A 63  ? 0.22617084 0.16338891 0.07662018 -0.01160311 0.01529935  0.02044453  175 THR   A HB   
1063 H  HG1  . THR   A 63  ? 0.15640190 0.15640190 0.15640190 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1064 H  HG21 . THR   A 63  ? 0.23875301 0.17832142 0.08725971 -0.01156143 0.01527662  0.01649185  175 THR   A HG21 
1065 H  HG22 . THR   A 63  ? 0.23956679 0.17639333 0.08704270 -0.01311943 0.01535534  0.01649478  175 THR   A HG22 
1066 H  HG23 . THR   A 63  ? 0.23824982 0.17744488 0.08971893 -0.01305301 0.01595007  0.01499403  175 THR   A HG23 
1067 N  N    . LYS   A 64  ? 0.20220760 0.17437784 0.05354430 0.00740219  0.00740455  0.02603421  176 LYS   A N    
1068 C  CA   . LYS   A 64  ? 0.23315199 0.17485210 0.04143462 0.01435690  0.01455754  0.01489842  176 LYS   A CA   
1069 C  C    . LYS   A 64  ? 0.24023047 0.18083999 0.05433239 0.02273795  0.00115112  0.01040822  176 LYS   A C    
1070 O  O    . LYS   A 64  ? 0.24277499 0.18262663 0.08478333 0.02559397  0.00946349  0.00300652  176 LYS   A O    
1071 C  CB   . LYS   A 64  ? 0.27692419 0.21297097 0.04534385 0.00703473  0.01386256  0.01972924  176 LYS   A CB   
1072 C  CG   . LYS   A 64  ? 0.30922425 0.21612486 0.07518155 -0.00257986 0.02300541  0.03766301  176 LYS   A CG   
1073 C  CD   . LYS   A 64  ? 0.36507916 0.25833327 0.13112034 -0.05391958 0.03861003  0.04028580  176 LYS   A CD   
1074 C  CE   . LYS   A 64  ? 0.41182792 0.30837846 0.19676226 -0.03827920 0.02602358  0.03939354  176 LYS   A CE   
1075 N  NZ   . LYS   A 64  ? 0.45749021 0.35605389 0.31503877 -0.08416767 0.02082484  0.04132768  176 LYS   A NZ   
1076 H  H    . LYS   A 64  ? 0.20551188 0.17177778 0.05274013 0.00741383  0.00698294  0.01864094  176 LYS   A H    
1077 H  HA   . LYS   A 64  ? 0.23335418 0.18080646 0.04726206 0.01388571  0.01038907  0.01687722  176 LYS   A HA   
1078 H  HB2  . LYS   A 64  ? 0.27024657 0.20236890 0.04878933 0.00666514  0.01568340  0.02121179  176 LYS   A HB2  
1079 H  HB3  . LYS   A 64  ? 0.27234280 0.20378774 0.04928102 0.00552253  0.01575676  0.02191417  176 LYS   A HB3  
1080 H  HG2  . LYS   A 64  ? 0.30814472 0.22171479 0.07702959 -0.00812298 0.02376331  0.03418308  176 LYS   A HG2  
1081 H  HG3  . LYS   A 64  ? 0.30713350 0.22054505 0.07624365 -0.00720585 0.02378393  0.03351418  176 LYS   A HG3  
1082 H  HD2  . LYS   A 64  ? 0.35708028 0.25464517 0.13006970 -0.03722437 0.03350571  0.04080025  176 LYS   A HD2  
1083 H  HD3  . LYS   A 64  ? 0.36014032 0.25729448 0.12898546 -0.04023261 0.03037347  0.04157037  176 LYS   A HD3  
1084 H  HE2  . LYS   A 64  ? 0.40501475 0.29972646 0.19629283 -0.04929073 0.02908475  0.03993438  176 LYS   A HE2  
1085 H  HE3  . LYS   A 64  ? 0.40491393 0.30036011 0.19623645 -0.05004699 0.02889264  0.03958217  176 LYS   A HE3  
1086 H  HZ1  . LYS   A 64  ? 0.44560528 0.34783933 0.27948391 -0.07436116 0.01943586  0.04646441  176 LYS   A HZ1  
1087 H  HZ2  . LYS   A 64  ? 0.44561031 0.34277785 0.28766695 -0.06866702 0.02969804  0.04324540  176 LYS   A HZ2  
1088 H  HZ3  . LYS   A 64  ? 0.44297999 0.35201922 0.28024286 -0.07037210 0.02374571  0.03632510  176 LYS   A HZ3  
1089 N  N    . LEU   A 65  ? 0.22739790 0.17053020 0.06248302 0.03102604  -0.00094244 0.00589784  177 LEU   A N    
1090 C  CA   . LEU   A 65  ? 0.24820626 0.20499867 0.06695470 0.02196789  0.01677555  -0.01300489 177 LEU   A CA   
1091 C  C    . LEU   A 65  ? 0.25276625 0.21215436 0.06574947 0.03572625  -0.00472136 -0.01082622 177 LEU   A C    
1092 O  O    . LEU   A 65  ? 0.28161645 0.21202256 0.09327864 0.03916469  -0.00677109 -0.00950271 177 LEU   A O    
1093 C  CB   . LEU   A 65  ? 0.25930911 0.22823445 0.07828718 0.02017150  0.00339156  -0.02076383 177 LEU   A CB   
1094 C  CG   . LEU   A 65  ? 0.29026911 0.24323565 0.09708925 0.00544687  0.00932163  -0.00482105 177 LEU   A CG   
1095 C  CD1  . LEU   A 65  ? 0.31957284 0.26978067 0.14573359 -0.00525719 0.02851776  0.00395867  177 LEU   A CD1  
1096 C  CD2  . LEU   A 65  ? 0.31668758 0.22697026 0.14267881 0.00749042  0.02086027  0.00399797  177 LEU   A CD2  
1097 H  H    . LEU   A 65  ? 0.23099037 0.17616457 0.06117762 0.03044262  0.00344071  0.00321070  177 LEU   A H    
1098 H  HA   . LEU   A 65  ? 0.24877968 0.20336170 0.06838467 0.02431197  0.00717914  -0.00971357 177 LEU   A HA   
1099 H  HB2  . LEU   A 65  ? 0.26113611 0.22460663 0.07863889 0.01846062  0.00760009  -0.01596651 177 LEU   A HB2  
1100 H  HB3  . LEU   A 65  ? 0.26198497 0.22392294 0.07735031 0.01780514  0.00767769  -0.01725735 177 LEU   A HB3  
1101 H  HG   . LEU   A 65  ? 0.29038423 0.23879573 0.10472240 0.00705134  0.01296984  -0.00606445 177 LEU   A HG   
1102 H  HD11 . LEU   A 65  ? 0.31303799 0.26475188 0.13189028 -0.00471747 0.02283278  0.00130555  177 LEU   A HD11 
1103 H  HD12 . LEU   A 65  ? 0.31036142 0.26424584 0.13678230 -0.00222453 0.02222662  -0.00116522 177 LEU   A HD12 
1104 H  HD13 . LEU   A 65  ? 0.31035206 0.26626042 0.13623467 -0.00211249 0.02288652  0.00552552  177 LEU   A HD13 
1105 H  HD21 . LEU   A 65  ? 0.30854198 0.23295070 0.12830941 0.00857857  0.01719036  0.00136264  177 LEU   A HD21 
1106 H  HD22 . LEU   A 65  ? 0.30831927 0.23507072 0.13200521 0.00736090  0.01729261  0.00377415  177 LEU   A HD22 
1107 H  HD23 . LEU   A 65  ? 0.30834636 0.23408346 0.13245691 0.00752884  0.01705220  -0.00020939 177 LEU   A HD23 
1108 N  N    . ASP   A 66  ? 0.27090299 0.22687185 0.05311168 0.02638170  -0.01258616 -0.02379642 178 ASP   A N    
1109 C  CA   . ASP   A 66  ? 0.31090459 0.26444197 0.05190171 0.02568573  -0.02144717 -0.02324535 178 ASP   A CA   
1110 C  C    . ASP   A 66  ? 0.30841339 0.24600995 0.07820094 0.03354268  -0.01156887 -0.01476793 178 ASP   A C    
1111 O  O    . ASP   A 66  ? 0.32685640 0.26868820 0.08734001 0.00640937  -0.01346909 0.01310479  178 ASP   A O    
1112 C  CB   . ASP   A 66  ? 0.34834713 0.33498591 0.08712878 0.03383580  -0.05348000 -0.04737554 178 ASP   A CB   
1113 C  CG   . ASP   A 66  ? 0.38073701 0.36496240 0.18783748 0.04246527  -0.07314555 -0.06597862 178 ASP   A CG   
1114 O  OD1  . ASP   A 66  ? 0.43145955 0.36167493 0.17282796 0.05769868  -0.07271452 -0.07885127 178 ASP   A OD1  
1115 O  OD2  . ASP   A 66  ? 0.39401662 0.43352038 0.35093796 0.05523661  -0.11532705 -0.08064467 178 ASP   A OD2  
1116 H  H    . ASP   A 66  ? 0.27345175 0.22978717 0.05618184 0.02837348  -0.01194114 -0.02032486 178 ASP   A H    
1117 H  HA   . ASP   A 66  ? 0.30795595 0.26302928 0.06281462 0.02845886  -0.02294275 -0.02542171 178 ASP   A HA   
1118 H  HB2  . ASP   A 66  ? 0.34460005 0.31907344 0.09516972 0.03291883  -0.04934838 -0.04357871 178 ASP   A HB2  
1119 H  HB3  . ASP   A 66  ? 0.34336078 0.31999004 0.09539434 0.03298613  -0.04813817 -0.04435299 178 ASP   A HB3  
1120 N  N    . ASN   A 67  ? 0.30136704 0.24368808 0.06534150 0.02230421  0.01289630  0.00692152  179 ASN   A N    
1121 C  CA   . ASN   A 67  ? 0.34831047 0.23295006 0.05754407 0.00973957  0.02757055  0.03396134  179 ASN   A CA   
1122 C  C    . ASN   A 67  ? 0.36422974 0.22307277 0.09510022 0.01826856  0.01894613  0.02470049  179 ASN   A C    
1123 O  O    . ASN   A 67  ? 0.41826707 0.20935865 0.17548840 0.00980520  0.02900189  0.03534143  179 ASN   A O    
1124 C  CB   . ASN   A 67  ? 0.37420505 0.23581333 0.08744046 0.00567272  0.05368620  0.04034471  179 ASN   A CB   
1125 C  CG   . ASN   A 67  ? 0.36319312 0.26096836 0.18826140 0.02000465  0.04838751  0.05647154  179 ASN   A CG   
1126 O  OD1  . ASN   A 67  ? 0.38324803 0.20939744 0.21228027 0.02990838  0.04062003  0.01103130  179 ASN   A OD1  
1127 N  ND2  . ASN   A 67  ? 0.35362771 0.23687419 0.27445793 0.03273098  0.04818698  0.03689864  179 ASN   A ND2  
1128 H  H    . ASN   A 67  ? 0.31128827 0.24204832 0.06667562 0.02230728  0.01002806  0.00714091  179 ASN   A H    
1129 H  HA   . ASN   A 67  ? 0.34372398 0.23439169 0.07041228 0.01276037  0.02659933  0.02815497  179 ASN   A HA   
1130 H  HB2  . ASN   A 67  ? 0.36481342 0.23707606 0.09434837 0.01001223  0.04674824  0.03892387  179 ASN   A HB2  
1131 H  HB3  . ASN   A 67  ? 0.36759993 0.24014363 0.09859030 0.00791565  0.04753911  0.04008013  179 ASN   A HB3  
1132 H  HD21 . ASN   A 67  ? 0.36010537 0.24470720 0.24734265 0.02709725  0.05164106  0.04159069  179 ASN   A HD21 
1133 H  HD22 . ASN   A 67  ? 0.35693878 0.24420953 0.24735278 0.02806604  0.04899094  0.04254878  179 ASN   A HD22 
1134 N  N    . ASN   A 68  ? 0.33118796 0.23669146 0.09082936 0.03143421  0.02295580  0.02864601  180 ASN   A N    
1135 C  CA   . ASN   A 68  ? 0.36821592 0.26307812 0.08594938 0.04125778  0.00603988  0.02435294  180 ASN   A CA   
1136 C  C    . ASN   A 68  ? 0.32700649 0.22427659 0.07193489 0.04498781  -0.00940179 0.01019508  180 ASN   A C    
1137 O  O    . ASN   A 68  ? 0.30236709 0.22861001 0.08090946 0.04416709  -0.00464558 -0.00106249 180 ASN   A O    
1138 C  CB   . ASN   A 68  ? 0.39440826 0.31905884 0.09398166 0.04921257  -0.02713384 -0.00702270 180 ASN   A CB   
1139 C  CG   . ASN   A 68  ? 0.49700832 0.37213621 0.11923806 0.04618161  -0.02114419 0.04572009  180 ASN   A CG   
1140 O  OD1  . ASN   A 68  ? 0.57175243 0.49092570 0.24075273 0.02890174  -0.08648089 -0.00573502 180 ASN   A OD1  
1141 N  ND2  . ASN   A 68  ? 0.54446888 0.35599235 0.15382867 0.04657503  -0.03985985 0.07499102  180 ASN   A ND2  
1142 H  H    . ASN   A 68  ? 0.34461355 0.23782198 0.09005264 0.03032747  0.01828836  0.02623657  180 ASN   A H    
1143 H  HA   . ASN   A 68  ? 0.35706490 0.25981694 0.08579804 0.04120116  0.00112378  0.01788992  180 ASN   A HA   
1144 H  HB2  . ASN   A 68  ? 0.40303162 0.31814274 0.09605693 0.04836021  -0.01795533 0.00925970  180 ASN   A HB2  
1145 H  HB3  . ASN   A 68  ? 0.40115762 0.31276670 0.09512115 0.04869229  -0.01660651 0.00935265  180 ASN   A HB3  
1146 H  HD21 . ASN   A 68  ? 0.52388233 0.36292151 0.14614055 0.04729325  -0.03284809 0.06812131  180 ASN   A HD21 
1147 H  HD22 . ASN   A 68  ? 0.52847081 0.36246505 0.15097228 0.04676924  -0.03522125 0.06492534  180 ASN   A HD22 
1148 N  N    . TRP   A 69  ? 0.31175128 0.21430898 0.06743649 0.03147054  -0.00683020 0.01732968  181 TRP   A N    
1149 C  CA   . TRP   A 69  ? 0.28775457 0.19745763 0.05275040 0.02077742  -0.01592566 0.00211110  181 TRP   A CA   
1150 C  C    . TRP   A 69  ? 0.28140336 0.22621611 0.05005907 0.02817884  -0.00268767 -0.00169283 181 TRP   A C    
1151 O  O    . TRP   A 69  ? 0.29321340 0.27896410 0.13552369 0.05454749  -0.02223801 -0.00857352 181 TRP   A O    
1152 C  CB   . TRP   A 69  ? 0.30194455 0.18275802 0.06803483 0.02072124  0.00897121  -0.00649115 181 TRP   A CB   
1153 C  CG   . TRP   A 69  ? 0.30134577 0.15649170 0.07727368 0.00180188  -0.00307177 -0.00960068 181 TRP   A CG   
1154 C  CD1  . TRP   A 69  ? 0.30535406 0.18547340 0.11543929 -0.00215449 -0.00948144 0.01855435  181 TRP   A CD1  
1155 C  CD2  . TRP   A 69  ? 0.28584617 0.17689767 0.08684859 -0.00475509 -0.00896727 -0.01113218 181 TRP   A CD2  
1156 N  NE1  . TRP   A 69  ? 0.31741017 0.18879218 0.11665609 -0.01512320 -0.00080463 0.03085847  181 TRP   A NE1  
1157 C  CE2  . TRP   A 69  ? 0.29576853 0.18453720 0.05125133 0.00226465  0.01331516  -0.00047762 181 TRP   A CE2  
1158 C  CE3  . TRP   A 69  ? 0.27799568 0.17389958 0.09283651 -0.00158243 0.01040251  -0.00645281 181 TRP   A CE3  
1159 C  CZ2  . TRP   A 69  ? 0.29066581 0.20105793 0.08828204 0.00310267  0.00657052  -0.00500215 181 TRP   A CZ2  
1160 C  CZ3  . TRP   A 69  ? 0.28445190 0.17508483 0.07149118 0.00592726  0.00788998  -0.01127681 181 TRP   A CZ3  
1161 C  CH2  . TRP   A 69  ? 0.27882886 0.20074540 0.06202749 -0.00361262 -0.00443420 -0.00528339 181 TRP   A CH2  
1162 H  H    . TRP   A 69  ? 0.30900928 0.21134546 0.06471339 0.03178998  -0.00916725 0.01225092  181 TRP   A H    
1163 H  HA   . TRP   A 69  ? 0.29148912 0.20150241 0.05714303 0.02537226  -0.00829475 0.00327707  181 TRP   A HA   
1164 H  HB2  . TRP   A 69  ? 0.29916590 0.18123929 0.06681453 0.01573830  0.00141237  -0.00588255 181 TRP   A HB2  
1165 H  HB3  . TRP   A 69  ? 0.29832405 0.18018208 0.06451100 0.01630402  0.00180287  -0.00510146 181 TRP   A HB3  
1166 H  HD1  . TRP   A 69  ? 0.30640957 0.17864500 0.10487706 -0.00383113 -0.00575823 0.01382405  181 TRP   A HD1  
1167 H  HE1  . TRP   A 69  ? 0.30767244 0.18593432 0.09849776 -0.00854880 0.00121009  0.02017522  181 TRP   A HE1  
1168 H  HE3  . TRP   A 69  ? 0.27958211 0.17457131 0.08611014 -0.00154464 0.00601788  -0.00818655 181 TRP   A HE3  
1169 H  HZ2  . TRP   A 69  ? 0.29034686 0.19706951 0.07366804 0.00204002  0.00522940  -0.00406792 181 TRP   A HZ2  
1170 H  HZ3  . TRP   A 69  ? 0.28190356 0.17986146 0.07360023 0.00206948  0.00566330  -0.00810564 181 TRP   A HZ3  
1171 H  HH2  . TRP   A 69  ? 0.28071049 0.19427752 0.06917382 0.00077477  -0.00016387 -0.00607608 181 TRP   A HH2  
1172 N  N    . GLY   A 70  ? 0.25314382 0.22332121 0.06029612 0.02419671  -0.01847970 0.00043027  182 GLY   A N    
1173 C  CA   . GLY   A 70  ? 0.25662133 0.20941491 0.07404328 0.03077697  -0.01360935 0.01990267  182 GLY   A CA   
1174 C  C    . GLY   A 70  ? 0.27004325 0.24024013 0.07672524 0.02201705  -0.01163072 0.01085821  182 GLY   A C    
1175 O  O    . GLY   A 70  ? 0.25488806 0.26200375 0.06800373 0.01053608  -0.00201894 0.00637763  182 GLY   A O    
1176 H  H    . GLY   A 70  ? 0.25773394 0.22039363 0.05982165 0.02740723  -0.01553118 0.00476876  182 GLY   A H    
1177 H  HA2  . GLY   A 70  ? 0.25890568 0.21789840 0.07170081 0.02767014  -0.01392086 0.01366532  182 GLY   A HA2  
1178 H  HA3  . GLY   A 70  ? 0.25844777 0.21266153 0.07088208 0.02806679  -0.01444816 0.01499625  182 GLY   A HA3  
1179 N  N    . ARG   A 71  ? 0.26873749 0.25221476 0.07297634 0.00294175  -0.01741122 -0.00582409 183 ARG   A N    
1180 C  CA   A ARG   A 71  ? 0.25889507 0.27959365 0.09430796 0.01662381  -0.00743255 -0.00672384 183 ARG   A CA   
1181 C  CA   B ARG   A 71  ? 0.26255035 0.27340055 0.09243497 0.01689439  -0.00968728 -0.00822045 183 ARG   A CA   
1182 C  C    . ARG   A 71  ? 0.23772934 0.24784186 0.07313295 0.01910812  0.00089370  -0.01825655 183 ARG   A C    
1183 O  O    . ARG   A 71  ? 0.27115336 0.23127602 0.10750731 0.01937814  0.01293410  -0.01114539 183 ARG   A O    
1184 C  CB   A ARG   A 71  ? 0.28416353 0.32297766 0.13452300 0.00633249  -0.00525340 0.00505411  183 ARG   A CB   
1185 C  CB   B ARG   A 71  ? 0.28615046 0.30899116 0.13053112 0.00997701  -0.00644939 -0.00086989 183 ARG   A CB   
1186 C  CG   A ARG   A 71  ? 0.29390192 0.34826893 0.14931424 0.02058338  0.01852846  0.02555032  183 ARG   A CG   
1187 C  CG   B ARG   A 71  ? 0.29632151 0.34636736 0.16236289 0.02245028  -0.00480616 0.01229641  183 ARG   A CG   
1188 C  CD   A ARG   A 71  ? 0.32963893 0.38499832 0.18162231 0.04780094  0.02722366  0.02804360  183 ARG   A CD   
1189 C  CD   B ARG   A 71  ? 0.30955288 0.39762825 0.23049571 0.04014569  0.00247580  0.03629334  183 ARG   A CD   
1190 N  NE   A ARG   A 71  ? 0.33828053 0.45764223 0.25424761 0.07260771  0.03170535  0.04680377  183 ARG   A NE   
1191 N  NE   B ARG   A 71  ? 0.33224493 0.43317935 0.27103248 0.06791105  0.01734252  0.02879298  183 ARG   A NE   
1192 C  CZ   A ARG   A 71  ? 0.29582816 0.49073726 0.29105484 0.08011433  0.05437636  0.05694038  183 ARG   A CZ   
1193 C  CZ   B ARG   A 71  ? 0.29723573 0.45872229 0.29983458 0.08574285  0.02538307  0.04709919  183 ARG   A CZ   
1194 N  NH1  A ARG   A 71  ? 0.32380927 0.58991784 0.20778944 0.06282439  0.05421200  0.05616178  183 ARG   A NH1  
1195 N  NH1  B ARG   A 71  ? 0.30585498 0.51989442 0.25331360 0.09127591  0.01794301  0.04950539  183 ARG   A NH1  
1196 N  NH2  A ARG   A 71  ? 0.28188345 0.49784136 0.30100361 0.09882708  0.05540208  0.08649823  183 ARG   A NH2  
1197 N  NH2  B ARG   A 71  ? 0.29925087 0.46563643 0.30497131 0.09594405  0.02425648  0.06619664  183 ARG   A NH2  
1198 H  H    . ARG   A 71  ? 0.26669565 0.25365800 0.08064973 0.01077457  -0.01330172 -0.00386940 183 ARG   A H    
1199 H  HA   A ARG   A 71  ? 0.25988013 0.27379918 0.09039457 0.01281079  -0.00690551 -0.00713236 183 ARG   A HA   
1200 H  HA   B ARG   A 71  ? 0.26146322 0.26916349 0.08900918 0.01355758  -0.00810928 -0.00865966 183 ARG   A HA   
1201 H  HB2  A ARG   A 71  ? 0.28067541 0.31727749 0.12770787 0.01182099  0.00031002  0.00679615  183 ARG   A HB2  
1202 H  HB2  B ARG   A 71  ? 0.28142792 0.30788857 0.12570578 0.01332036  -0.00730211 -0.00001853 183 ARG   A HB2  
1203 H  HB3  A ARG   A 71  ? 0.27948439 0.31873477 0.12532242 0.01000297  -0.00138180 0.00723060  183 ARG   A HB3  
1204 H  HB3  B ARG   A 71  ? 0.28162041 0.30613479 0.12806500 0.01355498  -0.00830312 0.00091908  183 ARG   A HB3  
1205 H  HG2  A ARG   A 71  ? 0.29670623 0.34608585 0.15059651 0.02177535  0.01544763  0.02140519  183 ARG   A HG2  
1206 H  HG2  B ARG   A 71  ? 0.29543108 0.34534177 0.16498813 0.02293386  -0.00317164 0.01324174  183 ARG   A HG2  
1207 H  HG3  A ARG   A 71  ? 0.29709646 0.34550431 0.15005931 0.02256809  0.01565982  0.02076937  183 ARG   A HG3  
1208 H  HG3  B ARG   A 71  ? 0.29541197 0.34425119 0.16450089 0.02290222  -0.00307741 0.01335226  183 ARG   A HG3  
1209 H  HD2  A ARG   A 71  ? 0.32097068 0.38871479 0.18241441 0.04639492  0.02662657  0.03108787  183 ARG   A HD2  
1210 H  HD2  B ARG   A 71  ? 0.31137660 0.39068276 0.22041053 0.04160202  0.00416233  0.02809945  183 ARG   A HD2  
1211 H  HD3  A ARG   A 71  ? 0.32077765 0.38694447 0.18264867 0.04660602  0.02501289  0.03025189  183 ARG   A HD3  
1212 H  HD3  B ARG   A 71  ? 0.31097582 0.39090171 0.21897385 0.04202847  0.00351978  0.02798113  183 ARG   A HD3  
1213 H  HE   A ARG   A 71  ? 0.32551348 0.44549105 0.24227922 0.06808009  0.03577436  0.04909224  183 ARG   A HE   
1214 H  HE   B ARG   A 71  ? 0.32208255 0.42987511 0.27072448 0.06444039  0.01900627  0.03390953  183 ARG   A HE   
1215 H  HH11 A ARG   A 71  ? 0.32264343 0.56555736 0.23370993 0.06097059  0.05249743  0.05818335  183 ARG   A HH11 
1216 H  HH11 B ARG   A 71  ? 0.30539870 0.50759697 0.26668027 0.08671358  0.01953480  0.04983742  183 ARG   A HH11 
1217 H  HH12 A ARG   A 71  ? 0.31639624 0.55464572 0.23077568 0.06613185  0.05194855  0.05621789  183 ARG   A HH12 
1218 H  HH12 B ARG   A 71  ? 0.30145687 0.50368911 0.26509658 0.08970561  0.01788743  0.04989040  183 ARG   A HH12 
1219 H  HH21 A ARG   A 71  ? 0.28479421 0.49471265 0.29718468 0.09528530  0.05535869  0.07785976  183 ARG   A HH21 
1220 H  HH21 B ARG   A 71  ? 0.29855239 0.46366239 0.30376789 0.09326943  0.02470635  0.06114420  183 ARG   A HH21 
1221 H  HH22 A ARG   A 71  ? 0.28674567 0.49754429 0.29979330 0.09383113  0.05523680  0.08037356  183 ARG   A HH22 
1222 H  HH22 B ARG   A 71  ? 0.29874319 0.46512964 0.30518582 0.09358557  0.02512220  0.06253599  183 ARG   A HH22 
1223 N  N    . GLU   A 72  ? 0.23317322 0.23558918 0.07527927 0.02013949  0.00452136  -0.00810861 184 GLU   A N    
1224 C  CA   . GLU   A 72  ? 0.23229204 0.23728907 0.06431428 0.02456192  0.00926452  -0.01024222 184 GLU   A CA   
1225 C  C    . GLU   A 72  ? 0.22798866 0.23296943 0.10151955 0.01837443  0.00938766  0.00828971  184 GLU   A C    
1226 O  O    . GLU   A 72  ? 0.22774789 0.26428390 0.11981839 0.02150611  -0.00120981 0.00881429  184 GLU   A O    
1227 C  CB   . GLU   A 72  ? 0.24517536 0.22395420 0.09671446 0.02658513  -0.00903279 0.00449550  184 GLU   A CB   
1228 C  CG   . GLU   A 72  ? 0.26400173 0.21606924 0.09616702 0.02669550  -0.00002760 -0.00389620 184 GLU   A CG   
1229 C  CD   . GLU   A 72  ? 0.26528788 0.22243249 0.13650718 0.02879289  0.00921171  -0.02615411 184 GLU   A CD   
1230 O  OE1  . GLU   A 72  ? 0.30150825 0.23863892 0.17625417 0.03070995  0.05121677  -0.00770382 184 GLU   A OE1  
1231 O  OE2  . GLU   A 72  ? 0.30128840 0.20071106 0.14459129 0.03470701  0.03255856  -0.01376905 184 GLU   A OE2  
1232 H  H    . GLU   A 72  ? 0.23446289 0.23829925 0.07268938 0.02146937  0.00393873  -0.00997398 184 GLU   A H    
1233 H  HA   . GLU   A 72  ? 0.23224410 0.23375392 0.07789134 0.02370166  0.00566186  -0.00431469 184 GLU   A HA   
1234 H  HB2  . GLU   A 72  ? 0.24538469 0.22545154 0.08947281 0.02657108  -0.00253168 -0.00068569 184 GLU   A HB2  
1235 H  HB3  . GLU   A 72  ? 0.24619365 0.22559628 0.09104089 0.02630369  -0.00197038 -0.00034435 184 GLU   A HB3  
1236 H  HG2  . GLU   A 72  ? 0.26112473 0.21941943 0.10378192 0.02651769  -0.00029971 -0.00677783 184 GLU   A HG2  
1237 H  HG3  . GLU   A 72  ? 0.26023075 0.21936373 0.10108067 0.02656368  -0.00169679 -0.00737153 184 GLU   A HG3  
1238 N  N    . GLU   A 73  ? 0.21187550 0.25075048 0.07328266 0.02032973  0.00560261  0.00731253  185 GLU   A N    
1239 C  CA   . GLU   A 73  ? 0.23193604 0.23727486 0.06920322 0.00607578  0.00904111  -0.00665897 185 GLU   A CA   
1240 C  C    . GLU   A 73  ? 0.23022383 0.21736810 0.10324319 0.00567939  0.02611285  -0.00020000 185 GLU   A C    
1241 O  O    . GLU   A 73  ? 0.21824551 0.27196425 0.11512504 0.00936404  0.01637802  -0.04602835 185 GLU   A O    
1242 C  CB   . GLU   A 73  ? 0.23519814 0.23333493 0.09190753 -0.00426269 0.01316449  -0.01521926 185 GLU   A CB   
1243 C  CG   . GLU   A 73  ? 0.26604617 0.25248688 0.12555821 -0.01252950 0.00579430  -0.02282127 185 GLU   A CG   
1244 C  CD   . GLU   A 73  ? 0.28024250 0.24401850 0.14085971 -0.02663185 0.00814712  -0.02420395 185 GLU   A CD   
1245 O  OE1  . GLU   A 73  ? 0.34776571 0.24691486 0.15702100 -0.01933667 0.00234055  -0.01076326 185 GLU   A OE1  
1246 O  OE2  . GLU   A 73  ? 0.29604849 0.23793423 0.11252356 -0.03530862 0.01047166  -0.01335380 185 GLU   A OE2  
1247 H  H    . GLU   A 73  ? 0.21637966 0.24365923 0.07781178 0.01763047  0.00849884  0.00408779  185 GLU   A H    
1248 H  HA   . GLU   A 73  ? 0.23038724 0.23585379 0.08040735 0.00693835  0.01191926  -0.00433177 185 GLU   A HA   
1249 H  HB2  . GLU   A 73  ? 0.23765281 0.23776367 0.09271901 -0.00310823 0.01124239  -0.01461609 185 GLU   A HB2  
1250 H  HB3  . GLU   A 73  ? 0.23959599 0.23774709 0.09145134 -0.00344676 0.01124855  -0.01430834 185 GLU   A HB3  
1251 H  HG2  . GLU   A 73  ? 0.26376343 0.24603605 0.12129734 -0.01363233 0.00750932  -0.02141099 185 GLU   A HG2  
1252 H  HG3  . GLU   A 73  ? 0.26186931 0.24620658 0.12484279 -0.01323793 0.00719015  -0.02215933 185 GLU   A HG3  
1253 N  N    . ARG   A 74  ? 0.21552114 0.23035356 0.12597872 0.01917268  0.03342511  -0.02106324 186 ARG   A N    
1254 C  CA   . ARG   A 74  ? 0.23918554 0.24087080 0.12706846 0.02256409  0.02134572  -0.04190927 186 ARG   A CA   
1255 C  C    . ARG   A 74  ? 0.24257743 0.26796690 0.12028964 0.01653025  0.03670505  -0.04736744 186 ARG   A C    
1256 O  O    . ARG   A 74  ? 0.26370662 0.34810346 0.15069538 -0.01036539 0.04032243  -0.06060767 186 ARG   A O    
1257 C  CB   . ARG   A 74  ? 0.25631401 0.26812118 0.13396195 0.03035707  0.02718155  -0.02552791 186 ARG   A CB   
1258 C  CG   . ARG   A 74  ? 0.28664356 0.26397258 0.11976275 0.02796154  0.02206560  -0.02574586 186 ARG   A CG   
1259 C  CD   . ARG   A 74  ? 0.29013655 0.26323271 0.17113145 0.03480519  0.04506537  -0.00284243 186 ARG   A CD   
1260 N  NE   . ARG   A 74  ? 0.29951030 0.26186246 0.15336096 0.03805620  0.03688807  -0.00763098 186 ARG   A NE   
1261 C  CZ   . ARG   A 74  ? 0.28600651 0.21140970 0.12513041 0.04900768  0.01379202  -0.01260011 186 ARG   A CZ   
1262 N  NH1  . ARG   A 74  ? 0.33929330 0.25740835 0.15727043 0.04568079  0.01109976  -0.03636531 186 ARG   A NH1  
1263 N  NH2  . ARG   A 74  ? 0.31322178 0.21713653 0.15637349 0.02169691  0.01171279  -0.00419747 186 ARG   A NH2  
1264 H  H    . ARG   A 74  ? 0.21984309 0.22942358 0.11993270 0.01575480  0.02926173  -0.02007987 186 ARG   A H    
1265 H  HA   . ARG   A 74  ? 0.23995495 0.24727565 0.12636313 0.02185654  0.02668851  -0.03579476 186 ARG   A HA   
1266 H  HB2  . ARG   A 74  ? 0.25774479 0.26090482 0.13015214 0.02822646  0.02509965  -0.02862442 186 ARG   A HB2  
1267 H  HB3  . ARG   A 74  ? 0.25835520 0.26325023 0.13293537 0.02901033  0.02597001  -0.02616179 186 ARG   A HB3  
1268 H  HG2  . ARG   A 74  ? 0.28038168 0.26352650 0.13195899 0.03021102  0.02799548  -0.02128469 186 ARG   A HG2  
1269 H  HG3  . ARG   A 74  ? 0.27947372 0.26143253 0.13007930 0.03062146  0.02866355  -0.02354267 186 ARG   A HG3  
1270 H  HD2  . ARG   A 74  ? 0.29381707 0.26480877 0.15533447 0.03540285  0.03870482  -0.00779206 186 ARG   A HD2  
1271 H  HD3  . ARG   A 74  ? 0.29320759 0.26549381 0.15749449 0.03297313  0.03603065  -0.00653324 186 ARG   A HD3  
1272 H  HE   . ARG   A 74  ? 0.29423910 0.24802539 0.15321118 0.04015989  0.03317921  -0.00656584 186 ARG   A HE   
1273 H  HH11 . ARG   A 74  ? 0.32360694 0.24579597 0.14798787 0.05025435  0.01137699  -0.02817277 186 ARG   A HH11 
1274 H  HH12 . ARG   A 74  ? 0.32406807 0.24403936 0.15322597 0.04943376  0.00796409  -0.03059012 186 ARG   A HH12 
1275 H  HH21 . ARG   A 74  ? 0.30450487 0.21460614 0.14802764 0.02974199  0.01220985  -0.00728774 186 ARG   A HH21 
1276 H  HH22 . ARG   A 74  ? 0.30447829 0.21674564 0.15262887 0.03056020  0.01316995  -0.00436564 186 ARG   A HH22 
1277 N  N    . GLN   A 75  ? 0.27768016 0.28248388 0.12708490 -0.00563726 0.01253828  -0.02582341 187 GLN   A N    
1278 C  CA   . GLN   A 75  ? 0.36255306 0.31239909 0.12087707 0.01022588  0.03507105  -0.03967129 187 GLN   A CA   
1279 C  C    . GLN   A 75  ? 0.38816437 0.29664171 0.11011793 0.01503098  0.03681844  -0.02072087 187 GLN   A C    
1280 O  O    . GLN   A 75  ? 0.42394170 0.28702465 0.07979269 -0.00350694 0.03211350  -0.05201683 187 GLN   A O    
1281 C  CB   . GLN   A 75  ? 0.41259971 0.32469112 0.13996468 0.00737231  0.03927999  -0.03679793 187 GLN   A CB   
1282 C  CG   . GLN   A 75  ? 0.47900221 0.38020843 0.20784275 0.00229543  0.04320793  -0.00450793 187 GLN   A CG   
1283 C  CD   . GLN   A 75  ? 0.54473841 0.38031328 0.32746312 -0.02150252 0.09202395  0.04707317  187 GLN   A CD   
1284 O  OE1  . GLN   A 75  ? 0.51315457 0.41642585 0.49444777 0.01684683  0.05153225  0.08712170  187 GLN   A OE1  
1285 N  NE2  . GLN   A 75  ? 0.64043707 0.39996332 0.45232815 -0.05157096 0.14408100  0.02288245  187 GLN   A NE2  
1286 H  H    . GLN   A 75  ? 0.28068286 0.28231701 0.12368794 0.00223195  0.02391297  -0.03324919 187 GLN   A H    
1287 H  HA   . GLN   A 75  ? 0.35554552 0.30475363 0.12395296 0.00840912  0.02990700  -0.03361023 187 GLN   A HA   
1288 H  HB2  . GLN   A 75  ? 0.40855515 0.32716572 0.14522873 0.00609451  0.03837910  -0.03238339 187 GLN   A HB2  
1289 H  HB3  . GLN   A 75  ? 0.40748152 0.32741860 0.14550498 0.00735149  0.03778554  -0.03182159 187 GLN   A HB3  
1290 H  HG2  . GLN   A 75  ? 0.47228718 0.36696297 0.20680332 -0.00286862 0.05212134  -0.00266050 187 GLN   A HG2  
1291 H  HG3  . GLN   A 75  ? 0.46915314 0.36865407 0.20493940 0.00170709  0.05223300  -0.00163226 187 GLN   A HG3  
1292 H  HE21 . GLN   A 75  ? 0.60990179 0.39819568 0.40672395 -0.04498907 0.12018290  0.03353185  187 GLN   A HE21 
1293 H  HE22 . GLN   A 75  ? 0.61247838 0.39611006 0.41369176 -0.03880592 0.11936319  0.02917813  187 GLN   A HE22 
1294 N  N    . SER   A 76  ? 0.38268977 0.33214945 0.14120676 0.04352893  0.01312732  -0.05070148 188 SER   A N    
1295 C  CA   . SER   A 76  ? 0.37618938 0.32114738 0.16371642 0.06599444  0.00310637  -0.05189815 188 SER   A CA   
1296 C  C    . SER   A 76  ? 0.34988788 0.30257416 0.20089602 0.03372272  0.00119206  -0.02444680 188 SER   A C    
1297 O  O    . SER   A 76  ? 0.35316658 0.29375198 0.21295746 0.04601582  -0.01094327 -0.03023403 188 SER   A O    
1298 C  CB   . SER   A 76  ? 0.38436073 0.33200127 0.16142792 0.08073924  -0.00773473 -0.02606510 188 SER   A CB   
1299 O  OG   . SER   A 76  ? 0.42706162 0.38926566 0.26784873 0.10818794  -0.04957426 -0.04954971 188 SER   A OG   
1300 H  H    . SER   A 76  ? 0.38523656 0.32203135 0.13850422 0.04263934  0.01575642  -0.04419528 188 SER   A H    
1301 H  HA   . SER   A 76  ? 0.37591988 0.32322663 0.16764268 0.05958031  0.00117413  -0.04421038 188 SER   A HA   
1302 H  HB2  . SER   A 76  ? 0.38580039 0.33636647 0.17882764 0.07933275  -0.01054594 -0.03400132 188 SER   A HB2  
1303 H  HB3  . SER   A 76  ? 0.38866031 0.33825549 0.18048643 0.08166431  -0.01288704 -0.03612825 188 SER   A HB3  
1304 H  HG   . SER   A 76  ? 0.36760589 0.36760589 0.36760589 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1305 N  N    . VAL   A 77  ? 0.29345381 0.29162133 0.15080942 -0.00243726 0.04314680  -0.01751239 189 VAL   A N    
1306 C  CA   . VAL   A 77  ? 0.29488850 0.31343651 0.17025502 -0.00012882 0.04565288  -0.02734671 189 VAL   A CA   
1307 C  C    . VAL   A 77  ? 0.28750551 0.25567412 0.13029556 -0.00478394 0.04769571  -0.02282461 189 VAL   A C    
1308 O  O    . VAL   A 77  ? 0.32098687 0.31265950 0.12475036 0.02749790  0.03261842  -0.05111574 189 VAL   A O    
1309 C  CB   . VAL   A 77  ? 0.32744128 0.34948751 0.23598422 -0.00961149 0.01354010  0.01928076  189 VAL   A CB   
1310 C  CG1  . VAL   A 77  ? 0.35852543 0.36057115 0.30090922 0.01376305  0.00056726  0.04871128  189 VAL   A CG1  
1311 C  CG2  . VAL   A 77  ? 0.35538739 0.38444221 0.27043536 -0.02875278 0.02504784  0.04310282  189 VAL   A CG2  
1312 H  H    . VAL   A 77  ? 0.30290610 0.29610208 0.16569658 0.00201482  0.03332087  -0.02176996 189 VAL   A H    
1313 H  HA   . VAL   A 77  ? 0.29752350 0.29945487 0.16510610 -0.00206141 0.04052937  -0.01838945 189 VAL   A HA   
1314 H  HB   . VAL   A 77  ? 0.32858324 0.34828681 0.23578525 -0.00709558 0.02029628  0.01878274  189 VAL   A HB   
1315 H  HG11 . VAL   A 77  ? 0.34993342 0.36210999 0.28669870 0.00722987  0.00404182  0.04566001  189 VAL   A HG11 
1316 H  HG12 . VAL   A 77  ? 0.35520738 0.35737884 0.28231058 0.00699396  0.00047914  0.04059418  189 VAL   A HG12 
1317 H  HG13 . VAL   A 77  ? 0.34995806 0.35898936 0.28149432 0.00704414  0.00362480  0.04071001  189 VAL   A HG13 
1318 H  HG21 . VAL   A 77  ? 0.34738031 0.37649372 0.26146272 -0.02283133 0.02242490  0.03575061  189 VAL   A HG21 
1319 H  HG22 . VAL   A 77  ? 0.35025966 0.37365559 0.26232931 -0.02335958 0.02551755  0.03532221  189 VAL   A HG22 
1320 H  HG23 . VAL   A 77  ? 0.34736255 0.37789759 0.26552793 -0.02316910 0.02229218  0.04034710  189 VAL   A HG23 
1321 N  N    . PHE   A 78  ? 0.28586251 0.20871864 0.12139755 0.02543227  0.04702279  -0.02089421 190 PHE   A N    
1322 C  CA   . PHE   A 78  ? 0.26539862 0.19717437 0.13348055 0.04172953  0.02808776  -0.02306429 190 PHE   A CA   
1323 C  C    . PHE   A 78  ? 0.31115007 0.20575719 0.10941888 0.03671043  -0.00450559 -0.04980702 190 PHE   A C    
1324 O  O    . PHE   A 78  ? 0.37799501 0.23623896 0.12988952 0.06376135  -0.03780375 -0.07143910 190 PHE   A O    
1325 C  CB   . PHE   A 78  ? 0.26037699 0.19981255 0.15634830 0.04540649  0.01072059  -0.02016846 190 PHE   A CB   
1326 C  CG   . PHE   A 78  ? 0.27026522 0.19186275 0.14539048 0.04870719  0.00106558  -0.02386460 190 PHE   A CG   
1327 C  CD1  . PHE   A 78  ? 0.26966348 0.16948847 0.15234219 0.04856191  0.00227949  -0.01813757 190 PHE   A CD1  
1328 C  CD2  . PHE   A 78  ? 0.25818700 0.16631168 0.13175981 0.04190917  0.00538135  -0.03106875 190 PHE   A CD2  
1329 C  CE1  . PHE   A 78  ? 0.26851174 0.19474119 0.16338429 0.04455341  0.00480280  -0.03079053 190 PHE   A CE1  
1330 C  CE2  . PHE   A 78  ? 0.27336347 0.16121216 0.16200478 0.03523608  0.00972367  -0.03593730 190 PHE   A CE2  
1331 C  CZ   . PHE   A 78  ? 0.24472547 0.17472176 0.14154044 0.03461283  0.00348648  -0.00653116 190 PHE   A CZ   
1332 H  H    . PHE   A 78  ? 0.28171495 0.21647885 0.12178229 0.02275567  0.04328982  -0.02317725 190 PHE   A H    
1333 H  HA   . PHE   A 78  ? 0.27699086 0.20236221 0.13135315 0.03811516  0.02279600  -0.02652972 190 PHE   A HA   
1334 H  HB2  . PHE   A 78  ? 0.26292822 0.19812895 0.14934096 0.04540913  0.01170446  -0.02121662 190 PHE   A HB2  
1335 H  HB3  . PHE   A 78  ? 0.26434198 0.19964525 0.15189901 0.04537464  0.01194422  -0.01943599 190 PHE   A HB3  
1336 H  HD1  . PHE   A 78  ? 0.26999143 0.18025801 0.15312354 0.04779430  0.00242744  -0.02238547 190 PHE   A HD1  
1337 H  HD2  . PHE   A 78  ? 0.26167005 0.17013603 0.14102811 0.04090670  0.00461907  -0.03062505 190 PHE   A HD2  
1338 H  HE1  . PHE   A 78  ? 0.26502493 0.18431821 0.15557076 0.04404135  0.00478458  -0.02178078 190 PHE   A HE1  
1339 H  HE2  . PHE   A 78  ? 0.26343176 0.16603631 0.15709686 0.03698027  0.00843365  -0.02702491 190 PHE   A HE2  
1340 H  HZ   . PHE   A 78  ? 0.25256577 0.17485844 0.14709856 0.03535917  0.00864343  -0.01658763 190 PHE   A HZ   
1341 N  N    . PRO   A 79  ? 0.28712198 0.21198601 0.08645467 0.03431212  -0.01411656 -0.02442705 191 PRO   A N    
1342 C  CA   . PRO   A 79  ? 0.30427733 0.20978302 0.10516257 0.02843138  -0.01615815 -0.01742144 191 PRO   A CA   
1343 C  C    . PRO   A 79  ? 0.30370399 0.24256606 0.13322246 0.03451811  -0.01700534 0.00048232  191 PRO   A C    
1344 O  O    . PRO   A 79  ? 0.34575194 0.30394185 0.20487881 0.03505161  -0.02759818 0.04054951  191 PRO   A O    
1345 C  CB   . PRO   A 79  ? 0.30742449 0.20224009 0.13463455 0.04298005  -0.00523365 0.00642739  191 PRO   A CB   
1346 C  CG   . PRO   A 79  ? 0.30828607 0.20121260 0.14136524 0.02596080  -0.01253363 -0.00413490 191 PRO   A CG   
1347 C  CD   . PRO   A 79  ? 0.28530937 0.20939560 0.14328074 0.02721566  -0.00001379 -0.03695387 191 PRO   A CD   
1348 H  HA   . PRO   A 79  ? 0.30103871 0.21388425 0.10738522 0.03349213  -0.01312845 -0.01312563 191 PRO   A HA   
1349 H  HB2  . PRO   A 79  ? 0.30601320 0.20415950 0.12930529 0.03642641  -0.00957302 -0.00077509 191 PRO   A HB2  
1350 H  HB3  . PRO   A 79  ? 0.30649045 0.20379283 0.12904841 0.03605152  -0.00907636 -0.00088495 191 PRO   A HB3  
1351 H  HG2  . PRO   A 79  ? 0.30438092 0.20297222 0.14108862 0.03024822  -0.00932409 -0.00932431 191 PRO   A HG2  
1352 H  HG3  . PRO   A 79  ? 0.30298403 0.20186561 0.14054498 0.02968643  -0.00843635 -0.00923385 191 PRO   A HG3  
1353 H  HD2  . PRO   A 79  ? 0.28983372 0.20919763 0.14006871 0.02881523  -0.00615664 -0.03006553 191 PRO   A HD2  
1354 H  HD3  . PRO   A 79  ? 0.28861484 0.20843458 0.13074900 0.02793310  -0.00550606 -0.02746864 191 PRO   A HD3  
1355 N  N    . PHE   A 80  ? 0.29881319 0.24835068 0.07723317 0.04192237  -0.01184868 -0.03990385 192 PHE   A N    
1356 C  CA   . PHE   A 80  ? 0.28138009 0.20203908 0.10609709 0.03417666  -0.02017657 -0.04280601 192 PHE   A CA   
1357 C  C    . PHE   A 80  ? 0.27874011 0.20389113 0.12119083 0.04127207  -0.01509430 -0.03082688 192 PHE   A C    
1358 O  O    . PHE   A 80  ? 0.28520152 0.23117436 0.18371096 0.05665621  -0.03233778 -0.05589493 192 PHE   A O    
1359 C  CB   . PHE   A 80  ? 0.25899452 0.16659606 0.11565225 0.02339131  -0.02494174 -0.01449288 192 PHE   A CB   
1360 C  CG   . PHE   A 80  ? 0.24219051 0.16103810 0.08741942 0.01091099  -0.00232163 -0.01056973 192 PHE   A CG   
1361 C  CD1  . PHE   A 80  ? 0.23606528 0.16047807 0.08099480 0.00473202  -0.01929460 0.00422411  192 PHE   A CD1  
1362 C  CD2  . PHE   A 80  ? 0.24286897 0.16673054 0.12969866 0.02475041  -0.01814164 -0.00208164 192 PHE   A CD2  
1363 C  CE1  . PHE   A 80  ? 0.23029122 0.15783718 0.08553245 0.01131341  0.00842463  0.00263146  192 PHE   A CE1  
1364 C  CE2  . PHE   A 80  ? 0.24630207 0.16645901 0.09564059 -0.00002864 -0.03254220 0.00328889  192 PHE   A CE2  
1365 C  CZ   . PHE   A 80  ? 0.26239780 0.18264410 0.05819922 0.01230392  -0.02031499 0.00694293  192 PHE   A CZ   
1366 H  H    . PHE   A 80  ? 0.29482421 0.23465511 0.09515358 0.03847155  -0.01522653 -0.03173203 192 PHE   A H    
1367 H  HA   . PHE   A 80  ? 0.28076413 0.20368114 0.10685664 0.03414671  -0.01807362 -0.03481065 192 PHE   A HA   
1368 H  HB2  . PHE   A 80  ? 0.25716281 0.17081290 0.10660809 0.02440379  -0.01950923 -0.01812425 192 PHE   A HB2  
1369 H  HB3  . PHE   A 80  ? 0.25915340 0.17197993 0.10684183 0.02313804  -0.01876185 -0.01898088 192 PHE   A HB3  
1370 H  HD1  . PHE   A 80  ? 0.23336236 0.15988058 0.08295687 0.00666082  -0.01109336 0.00006391  192 PHE   A HD1  
1371 H  HD2  . PHE   A 80  ? 0.24062794 0.16391250 0.11033008 0.01795072  -0.01744804 -0.00299443 192 PHE   A HD2  
1372 H  HE1  . PHE   A 80  ? 0.23540133 0.16215616 0.07903342 0.01246218  -0.00404890 0.00368217  192 PHE   A HE1  
1373 H  HE2  . PHE   A 80  ? 0.24467704 0.16931090 0.09257892 0.00654867  -0.02817375 0.00220927  192 PHE   A HE2  
1374 H  HZ   . PHE   A 80  ? 0.25112602 0.17618804 0.07460958 0.00966382  -0.01614400 0.00656136  192 PHE   A HZ   
1375 N  N    . GLU   A 81  ? 0.27455252 0.18822978 0.14128570 0.04888609  -0.01370527 -0.02955296 193 GLU   A N    
1376 C  CA   . GLU   A 81  ? 0.29410115 0.20907336 0.11979817 0.04387936  -0.01558559 -0.06011762 193 GLU   A CA   
1377 C  C    . GLU   A 81  ? 0.32736802 0.18812725 0.12421919 0.03329754  -0.01827564 -0.05017282 193 GLU   A C    
1378 O  O    . GLU   A 81  ? 0.32229578 0.17271391 0.13321932 0.05379076  -0.03160723 -0.04499271 193 GLU   A O    
1379 C  CB   . GLU   A 81  ? 0.30353400 0.23356631 0.11959158 0.05116237  0.00341472  -0.07156873 193 GLU   A CB   
1380 C  CG   . GLU   A 81  ? 0.31760865 0.26309380 0.15977365 0.03867107  0.00546344  -0.06075478 193 GLU   A CG   
1381 C  CD   . GLU   A 81  ? 0.33083308 0.27073103 0.16793330 0.04625244  0.00983114  -0.04045760 193 GLU   A CD   
1382 O  OE1  . GLU   A 81  ? 0.35861808 0.29828611 0.27832925 0.04402064  0.01396953  -0.06018852 193 GLU   A OE1  
1383 O  OE2  . GLU   A 81  ? 0.32571948 0.32727689 0.27528116 0.06874150  0.00078742  -0.00332417 193 GLU   A OE2  
1384 H  H    . GLU   A 81  ? 0.27675790 0.19441946 0.13142504 0.04851647  -0.01409809 -0.03675296 193 GLU   A H    
1385 H  HA   . GLU   A 81  ? 0.29864562 0.20499298 0.12521009 0.04476362  -0.01289588 -0.05388732 193 GLU   A HA   
1386 H  HB2  . GLU   A 81  ? 0.30338067 0.23266029 0.12700798 0.04734255  -0.00073910 -0.06665116 193 GLU   A HB2  
1387 H  HB3  . GLU   A 81  ? 0.30390161 0.23283011 0.12736066 0.04705779  -0.00064218 -0.06667321 193 GLU   A HB3  
1388 H  HG2  . GLU   A 81  ? 0.31616840 0.25764462 0.15230592 0.04374767  0.00606281  -0.05818273 193 GLU   A HG2  
1389 H  HG3  . GLU   A 81  ? 0.31679428 0.25704536 0.15646662 0.04321705  0.00741136  -0.05935466 193 GLU   A HG3  
1390 N  N    A SER   A 82  ? 0.35368285 0.18437566 0.12449761 0.06161681  -0.02471356 -0.04195978 194 SER   A N    
1391 N  N    B SER   A 82  ? 0.35232022 0.18766034 0.14287341 0.05944985  -0.02381733 -0.04782379 194 SER   A N    
1392 C  CA   A SER   A 82  ? 0.36683604 0.17681924 0.12754501 0.04638441  -0.01711698 -0.02579158 194 SER   A CA   
1393 C  CA   B SER   A 82  ? 0.36255771 0.19458930 0.16271532 0.04112883  -0.01166688 -0.04424325 194 SER   A CA   
1394 C  C    A SER   A 82  ? 0.35411772 0.15257162 0.12023416 0.02966414  -0.00697922 -0.03570187 194 SER   A C    
1395 C  C    B SER   A 82  ? 0.35709265 0.15577856 0.12573156 0.02573367  0.00203060  -0.05264483 194 SER   A C    
1396 O  O    A SER   A 82  ? 0.38943693 0.16826095 0.11814602 0.02120536  -0.00845809 -0.04422972 194 SER   A O    
1397 O  O    B SER   A 82  ? 0.39617914 0.16744500 0.14048654 0.00758567  0.01168198  -0.08570305 194 SER   A O    
1398 C  CB   A SER   A 82  ? 0.39269757 0.18720037 0.15069433 0.06065927  -0.01346136 -0.02099153 194 SER   A CB   
1399 C  CB   B SER   A 82  ? 0.38849777 0.22019613 0.22127689 0.05516966  -0.01168987 -0.03463742 194 SER   A CB   
1400 O  OG   A SER   A 82  ? 0.42646277 0.21303597 0.17004874 0.06345751  -0.03826609 0.01409285  194 SER   A OG   
1401 O  OG   B SER   A 82  ? 0.39673722 0.26847982 0.24362078 0.05485225  0.00261350  -0.05649506 194 SER   A OG   
1402 H  H    A SER   A 82  ? 0.34708020 0.18367061 0.12506472 0.05250364  -0.02148077 -0.04069552 194 SER   A H    
1403 H  H    B SER   A 82  ? 0.34493604 0.18874440 0.14154994 0.05045339  -0.01982054 -0.04785509 194 SER   A H    
1404 H  HA   A SER   A 82  ? 0.36524582 0.17529729 0.13100782 0.04774573  -0.01654447 -0.02885632 194 SER   A HA   
1405 H  HA   B SER   A 82  ? 0.36155692 0.19009855 0.16050074 0.04221049  -0.01272435 -0.04284699 194 SER   A HA   
1406 H  HB2  A SER   A 82  ? 0.39069492 0.18852647 0.14525390 0.05904218  -0.01717530 -0.01638436 194 SER   A HB2  
1407 H  HB2  B SER   A 82  ? 0.38536292 0.22281265 0.21052736 0.05273711  -0.00943860 -0.04189783 194 SER   A HB2  
1408 H  HB3  A SER   A 82  ? 0.39238656 0.18933961 0.14775205 0.05840880  -0.01901156 -0.01516432 194 SER   A HB3  
1409 H  HB3  B SER   A 82  ? 0.38527736 0.22247519 0.21145888 0.05219484  -0.00707700 -0.04123827 194 SER   A HB3  
1410 H  HG   A SER   A 82  ? 0.27640417 0.27640417 0.27640417 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1411 H  HG   B SER   A 82  ? 0.30553401 0.30553401 0.30553401 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1412 N  N    . GLY   A 83  ? 0.32539690 0.15400700 0.12629315 0.02186144  -0.00820847 -0.03111755 195 GLY   A N    
1413 C  CA   . GLY   A 83  ? 0.30563980 0.14336067 0.10750732 -0.00283846 0.00435688  -0.05468940 195 GLY   A CA   
1414 C  C    . GLY   A 83  ? 0.28705624 0.16497478 0.10895264 -0.01665251 -0.01061379 -0.03900012 195 GLY   A C    
1415 O  O    . GLY   A 83  ? 0.31082553 0.21250373 0.12271021 -0.04650313 -0.02978236 0.02040861  195 GLY   A O    
1416 H  H    . GLY   A 83  ? 0.33180565 0.15306066 0.12864499 0.01955825  -0.00426384 -0.03811250 195 GLY   A H    
1417 H  HA2  . GLY   A 83  ? 0.30382019 0.14916392 0.10940658 -0.00086339 -0.00023183 -0.04729421 195 GLY   A HA2  
1418 H  HA3  . GLY   A 83  ? 0.30585343 0.14324261 0.10610373 -0.00011655 -0.00123404 -0.05244963 195 GLY   A HA3  
1419 N  N    . LYS   A 84  ? 0.27051774 0.16346237 0.07708981 -0.01056328 -0.00663704 -0.02698958 196 LYS   A N    
1420 C  CA   . LYS   A 84  ? 0.26884007 0.13507034 0.08534174 -0.00244945 -0.00228490 -0.03114103 196 LYS   A CA   
1421 C  C    . LYS   A 84  ? 0.27364108 0.13352157 0.08770871 -0.00313924 -0.01064886 -0.03395122 196 LYS   A C    
1422 O  O    . LYS   A 84  ? 0.28693432 0.16344482 0.07649577 -0.00590165 -0.00774269 -0.04335503 196 LYS   A O    
1423 C  CB   . LYS   A 84  ? 0.26636615 0.14964718 0.09271330 -0.00848259 -0.00264392 -0.02752197 196 LYS   A CB   
1424 C  CG   . LYS   A 84  ? 0.25796947 0.14553563 0.10628976 -0.00535167 -0.00520568 -0.02821432 196 LYS   A CG   
1425 C  CD   . LYS   A 84  ? 0.25988597 0.15445143 0.10113043 0.00719321  -0.01105050 -0.00591503 196 LYS   A CD   
1426 C  CE   . LYS   A 84  ? 0.27035502 0.16971615 0.09499577 0.01311109  -0.00138065 -0.01197745 196 LYS   A CE   
1427 N  NZ   . LYS   A 84  ? 0.27651125 0.17317438 0.06860786 0.02466151  0.00382657  -0.03449990 196 LYS   A NZ   
1428 H  H    . LYS   A 84  ? 0.27234066 0.15727207 0.08510457 -0.00926242 -0.00794590 -0.03048629 196 LYS   A H    
1429 H  HA   . LYS   A 84  ? 0.27037609 0.14325131 0.08613151 -0.00506914 -0.00417260 -0.02988398 196 LYS   A HA   
1430 H  HB2  . LYS   A 84  ? 0.26530954 0.14569639 0.09416930 -0.00643865 -0.00296061 -0.02856652 196 LYS   A HB2  
1431 H  HB3  . LYS   A 84  ? 0.26530734 0.14672753 0.09435710 -0.00651136 -0.00300158 -0.02903854 196 LYS   A HB3  
1432 H  HG2  . LYS   A 84  ? 0.25928506 0.14843901 0.10191614 -0.00387888 -0.00639909 -0.02363937 196 LYS   A HG2  
1433 H  HG3  . LYS   A 84  ? 0.26048204 0.14978312 0.10259958 -0.00408446 -0.00556042 -0.02409248 196 LYS   A HG3  
1434 H  HD2  . LYS   A 84  ? 0.26173183 0.15538026 0.10065608 0.00623963  -0.00774877 -0.01166484 196 LYS   A HD2  
1435 H  HD3  . LYS   A 84  ? 0.26035720 0.15403569 0.09850322 0.00725917  -0.00937930 -0.01033058 196 LYS   A HD3  
1436 H  HE2  . LYS   A 84  ? 0.26993325 0.16758624 0.09054695 0.01488223  -0.00210307 -0.01576231 196 LYS   A HE2  
1437 H  HE3  . LYS   A 84  ? 0.27011508 0.16750231 0.09085013 0.01435257  -0.00181536 -0.01625939 196 LYS   A HE3  
1438 H  HZ1  . LYS   A 84  ? 0.27478644 0.17147569 0.07612882 0.02170249  0.00281495  -0.02842245 196 LYS   A HZ1  
1439 H  HZ2  . LYS   A 84  ? 0.27510089 0.17195033 0.07590666 0.02231710  0.00285002  -0.02827391 196 LYS   A HZ2  
1440 H  HZ3  . LYS   A 84  ? 0.27376154 0.16888191 0.07491580 0.02342585  0.00363047  -0.02998202 196 LYS   A HZ3  
1441 N  N    . PRO   A 85  ? 0.26529989 0.14908196 0.07686002 -0.00280040 0.00556843  -0.02498515 197 PRO   A N    
1442 C  CA   . PRO   A 85  ? 0.26093689 0.15933846 0.10045430 -0.00296594 0.02112776  -0.02113524 197 PRO   A CA   
1443 C  C    . PRO   A 85  ? 0.23504297 0.14906123 0.07415293 -0.00179461 0.02058370  -0.03394706 197 PRO   A C    
1444 O  O    . PRO   A 85  ? 0.24559370 0.18247125 0.08423487 -0.00617646 0.03718172  -0.03198432 197 PRO   A O    
1445 C  CB   . PRO   A 85  ? 0.26937082 0.15305999 0.14341041 -0.00411415 0.00095294  -0.02766865 197 PRO   A CB   
1446 C  CG   . PRO   A 85  ? 0.30004990 0.20134111 0.11090758 0.01186197  0.00367918  -0.01337910 197 PRO   A CG   
1447 C  CD   . PRO   A 85  ? 0.27717051 0.16091478 0.08551857 0.00022690  -0.00023578 -0.03371067 197 PRO   A CD   
1448 H  HA   . PRO   A 85  ? 0.25797376 0.15438052 0.09596334 -0.00306357 0.01560804  -0.02574330 197 PRO   A HA   
1449 H  HB2  . PRO   A 85  ? 0.27290469 0.15867762 0.12663445 -0.00126729 0.00636198  -0.02224199 197 PRO   A HB2  
1450 H  HB3  . PRO   A 85  ? 0.27440470 0.16263683 0.12738074 -0.00050927 0.00560424  -0.02304853 197 PRO   A HB3  
1451 H  HG2  . PRO   A 85  ? 0.28830180 0.17957699 0.11354151 0.00632134  0.00165106  -0.02242242 197 PRO   A HG2  
1452 H  HG3  . PRO   A 85  ? 0.29228950 0.17919272 0.11308248 0.00669004  0.00413434  -0.02132236 197 PRO   A HG3  
1453 H  HD2  . PRO   A 85  ? 0.27726349 0.16377513 0.08725145 0.00143457  0.00191624  -0.02779600 197 PRO   A HD2  
1454 H  HD3  . PRO   A 85  ? 0.27694198 0.16330725 0.08730729 0.00086678  0.00188569  -0.02772554 197 PRO   A HD3  
1455 N  N    . PHE   A 86  ? 0.23527740 0.16185659 0.08040101 0.00357221  0.02664869  -0.03933958 198 PHE   A N    
1456 C  CA   . PHE   A 86  ? 0.23751801 0.15307978 0.05771457 -0.00343779 0.01177189  -0.03287315 198 PHE   A CA   
1457 C  C    . PHE   A 86  ? 0.22374749 0.14876305 0.07410008 0.00030242  -0.01115674 -0.01909421 198 PHE   A C    
1458 O  O    . PHE   A 86  ? 0.22386792 0.14463562 0.09266597 0.00027834  -0.00436307 -0.03005389 198 PHE   A O    
1459 C  CB   . PHE   A 86  ? 0.27503994 0.14743280 0.07166908 -0.00455773 -0.01437972 -0.03568512 198 PHE   A CB   
1460 C  CG   . PHE   A 86  ? 0.27629909 0.14162087 0.08885805 -0.01723216 0.00025135  -0.02434850 198 PHE   A CG   
1461 C  CD1  . PHE   A 86  ? 0.27690288 0.13731420 0.08392171 -0.02283835 -0.00563753 -0.02113945 198 PHE   A CD1  
1462 C  CD2  . PHE   A 86  ? 0.33571604 0.15099090 0.09567100 -0.04470495 0.00411660  -0.02925557 198 PHE   A CD2  
1463 C  CE1  . PHE   A 86  ? 0.29618654 0.15440142 0.08409365 -0.03029404 -0.01185780 0.01203690  198 PHE   A CE1  
1464 C  CE2  . PHE   A 86  ? 0.34609279 0.17583008 0.11186625 -0.05892884 0.00940831  0.00496025  198 PHE   A CE2  
1465 C  CZ   . PHE   A 86  ? 0.32007375 0.19221239 0.08610456 -0.05083988 0.01673888  -0.00376240 198 PHE   A CZ   
1466 H  H    . PHE   A 86  ? 0.23563176 0.15675108 0.07344415 0.00069848  0.02226742  -0.03641420 198 PHE   A H    
1467 H  HA   . PHE   A 86  ? 0.23861235 0.15274020 0.05981880 -0.00209765 0.01006782  -0.03108975 198 PHE   A HA   
1468 H  HB2  . PHE   A 86  ? 0.26913971 0.14843386 0.07193094 -0.00533761 -0.00517247 -0.03268994 198 PHE   A HB2  
1469 H  HB3  . PHE   A 86  ? 0.26761878 0.14693280 0.07204497 -0.00675919 -0.00499051 -0.03280883 198 PHE   A HB3  
1470 H  HD1  . PHE   A 86  ? 0.28054783 0.14229806 0.08466216 -0.02323150 -0.00528149 -0.01471548 198 PHE   A HD1  
1471 H  HD2  . PHE   A 86  ? 0.32073298 0.14805035 0.09364195 -0.04020198 0.00378299  -0.02516139 198 PHE   A HD2  
1472 H  HE1  . PHE   A 86  ? 0.29597205 0.16124167 0.08686019 -0.03246786 -0.00411831 0.00346528  198 PHE   A HE1  
1473 H  HE2  . PHE   A 86  ? 0.33555570 0.16993600 0.10096989 -0.05412883 0.00995935  -0.00433210 198 PHE   A HE2  
1474 H  HZ   . PHE   A 86  ? 0.31729606 0.17819014 0.08381335 -0.04695628 0.01069441  0.00170398  198 PHE   A HZ   
1475 N  N    . LYS   A 87  ? 0.22305445 0.15078904 0.07868106 0.00066739  0.00892730  -0.02808555 199 LYS   A N    
1476 C  CA   . LYS   A 87  ? 0.24335176 0.14774777 0.08064865 -0.00641352 -0.00086322 -0.02790035 199 LYS   A CA   
1477 C  C    . LYS   A 87  ? 0.22097188 0.14617947 0.07524635 0.01093545  -0.00515780 -0.01633890 199 LYS   A C    
1478 O  O    . LYS   A 87  ? 0.24631363 0.19199376 0.07844236 0.00106969  0.01344379  -0.03186870 199 LYS   A O    
1479 C  CB   . LYS   A 87  ? 0.24895757 0.16014306 0.09534282 -0.01155718 -0.01166006 -0.02507930 199 LYS   A CB   
1480 C  CG   . LYS   A 87  ? 0.27757612 0.15906608 0.09362832 0.00020417  -0.01364619 -0.02072765 199 LYS   A CG   
1481 C  CD   . LYS   A 87  ? 0.30010048 0.16012678 0.16048473 0.01259194  -0.01368727 0.00457093  199 LYS   A CD   
1482 C  CE   . LYS   A 87  ? 0.33422977 0.19143537 0.13515046 0.01116967  -0.01671782 0.01144139  199 LYS   A CE   
1483 N  NZ   . LYS   A 87  ? 0.36146930 0.25987804 0.24796668 0.01204967  -0.03092526 0.05159343  199 LYS   A NZ   
1484 H  H    . LYS   A 87  ? 0.22392786 0.14943217 0.07635120 0.00011031  0.00454828  -0.02654753 199 LYS   A H    
1485 H  HA   . LYS   A 87  ? 0.23658992 0.15017606 0.08239874 -0.00259241 -0.00213526 -0.02518717 199 LYS   A HA   
1486 H  HB2  . LYS   A 87  ? 0.25139350 0.15699133 0.09153438 -0.00840134 -0.01068256 -0.02488430 199 LYS   A HB2  
1487 H  HB3  . LYS   A 87  ? 0.25398511 0.15742101 0.09254166 -0.00788344 -0.01027649 -0.02449829 199 LYS   A HB3  
1488 H  HG2  . LYS   A 87  ? 0.27413645 0.15972234 0.10441218 0.00015462  -0.01256632 -0.01680839 199 LYS   A HG2  
1489 H  HG3  . LYS   A 87  ? 0.27263314 0.15960452 0.10237915 -0.00007490 -0.01119979 -0.01724692 199 LYS   A HG3  
1490 H  HD2  . LYS   A 87  ? 0.30043966 0.16694745 0.13677973 0.00912353  -0.01424553 0.00025558  199 LYS   A HD2  
1491 H  HD3  . LYS   A 87  ? 0.30197224 0.16666852 0.13685374 0.01002453  -0.01344185 0.00015444  199 LYS   A HD3  
1492 H  HE2  . LYS   A 87  ? 0.32722500 0.18908158 0.15631314 0.01244781  -0.01794664 0.01501083  199 LYS   A HE2  
1493 H  HE3  . LYS   A 87  ? 0.32889026 0.19237798 0.15772121 0.01166824  -0.01842802 0.01651362  199 LYS   A HE3  
1494 H  HZ1  . LYS   A 87  ? 0.35813320 0.23720644 0.20523709 0.01505089  -0.02501312 0.03979347  199 LYS   A HZ1  
1495 H  HZ2  . LYS   A 87  ? 0.35474822 0.24878913 0.20703846 0.00762608  -0.02913218 0.04404755  199 LYS   A HZ2  
1496 H  HZ3  . LYS   A 87  ? 0.35910311 0.23676276 0.21221766 0.01305864  -0.03379579 0.03726661  199 LYS   A HZ3  
1497 N  N    . ILE   A 88  ? 0.21793143 0.15657991 0.06825390 -0.00562008 -0.00007656 -0.01307359 200 ILE   A N    
1498 C  CA   . ILE   A 88  ? 0.21444692 0.15182197 0.06954201 0.00336729  -0.00678255 -0.00951024 200 ILE   A CA   
1499 C  C    . ILE   A 88  ? 0.20484918 0.15325759 0.07350401 -0.00466381 -0.01324379 -0.02578643 200 ILE   A C    
1500 O  O    . ILE   A 88  ? 0.21169294 0.13960266 0.12972267 0.00000225  0.01482768  -0.02573188 200 ILE   A O    
1501 C  CB   . ILE   A 88  ? 0.23348393 0.17338687 0.05214645 0.00590569  -0.00854226 -0.02294772 200 ILE   A CB   
1502 C  CG1  . ILE   A 88  ? 0.24695534 0.18349777 0.03421168 0.00659521  0.01077884  -0.01654793 200 ILE   A CG1  
1503 C  CG2  . ILE   A 88  ? 0.25024521 0.17193608 0.08363630 -0.00049787 -0.01785203 -0.03026891 200 ILE   A CG2  
1504 C  CD1  . ILE   A 88  ? 0.26560354 0.18931344 0.03879641 0.00785968  0.01543502  -0.01862716 200 ILE   A CD1  
1505 H  H    . ILE   A 88  ? 0.21647558 0.15307587 0.06947538 -0.00041300 -0.00150619 -0.01290730 200 ILE   A H    
1506 H  HA   . ILE   A 88  ? 0.21646872 0.15658343 0.06732402 0.00069392  -0.00669537 -0.01563582 200 ILE   A HA   
1507 H  HB   . ILE   A 88  ? 0.23450583 0.17058921 0.05774085 0.00459200  -0.00580620 -0.02063224 200 ILE   A HB   
1508 H  HG12 . ILE   A 88  ? 0.24616909 0.18206744 0.03943620 0.00686458  0.00805964  -0.01842882 200 ILE   A HG12 
1509 H  HG13 . ILE   A 88  ? 0.24768770 0.18166967 0.04048903 0.00654383  0.00776609  -0.01815866 200 ILE   A HG13 
1510 H  HG21 . ILE   A 88  ? 0.24630117 0.17394026 0.07846068 0.00089653  -0.01418770 -0.03024177 200 ILE   A HG21 
1511 H  HG22 . ILE   A 88  ? 0.24817875 0.17277887 0.07671963 0.00109008  -0.01691496 -0.02838179 200 ILE   A HG22 
1512 H  HG23 . ILE   A 88  ? 0.24573374 0.17266269 0.07545405 0.00123283  -0.01522922 -0.02849948 200 ILE   A HG23 
1513 H  HD11 . ILE   A 88  ? 0.26158023 0.18775754 0.03804922 0.00739078  0.01366006  -0.01780325 200 ILE   A HD11 
1514 H  HD12 . ILE   A 88  ? 0.26052937 0.18827565 0.03785803 0.00746976  0.01412056  -0.01776150 200 ILE   A HD12 
1515 H  HD13 . ILE   A 88  ? 0.26141751 0.18779013 0.03910331 0.00793012  0.01482520  -0.01757058 200 ILE   A HD13 
1516 N  N    . GLN   A 89  ? 0.22740598 0.15665458 0.07058256 -0.00488215 0.00741519  -0.03085792 201 GLN   A N    
1517 C  CA   . GLN   A 89  ? 0.22353393 0.14793263 0.08147421 -0.00450943 0.00576142  -0.01951357 201 GLN   A CA   
1518 C  C    . GLN   A 89  ? 0.23033640 0.13226308 0.10454969 -0.01897722 0.01322231  -0.01928449 201 GLN   A C    
1519 O  O    . GLN   A 89  ? 0.24838555 0.15017034 0.13229030 -0.02655168 0.00317449  -0.04911475 201 GLN   A O    
1520 C  CB   . GLN   A 89  ? 0.25410390 0.15971495 0.11326516 0.00683249  -0.00807812 -0.00735902 201 GLN   A CB   
1521 C  CG   . GLN   A 89  ? 0.28026247 0.20695953 0.14343144 0.00270857  -0.01563920 -0.00711024 201 GLN   A CG   
1522 C  CD   . GLN   A 89  ? 0.35176459 0.22765616 0.18940803 -0.00955850 -0.04177629 0.01530270  201 GLN   A CD   
1523 O  OE1  . GLN   A 89  ? 0.41884321 0.25742990 0.12841010 -0.00599538 -0.00202199 -0.00085268 201 GLN   A OE1  
1524 N  NE2  . GLN   A 89  ? 0.37983674 0.25904408 0.22528984 0.01925793  -0.06346964 0.03122106  201 GLN   A NE2  
1525 H  H    . GLN   A 89  ? 0.21997912 0.15385276 0.07311289 -0.00428434 0.00262279  -0.02723537 201 GLN   A H    
1526 H  HA   . GLN   A 89  ? 0.22756875 0.14867480 0.08763421 -0.00475471 0.00682344  -0.02026979 201 GLN   A HA   
1527 H  HB2  . GLN   A 89  ? 0.25147730 0.16436167 0.11031625 0.00261574  -0.00708503 -0.00989327 201 GLN   A HB2  
1528 H  HB3  . GLN   A 89  ? 0.25042221 0.16322897 0.10945769 0.00292423  -0.00609051 -0.01056749 201 GLN   A HB3  
1529 H  HG2  . GLN   A 89  ? 0.28320152 0.19771150 0.14149456 0.00241999  -0.01715478 -0.00341940 201 GLN   A HG2  
1530 H  HG3  . GLN   A 89  ? 0.28382757 0.20152014 0.14157432 0.00258528  -0.01781403 -0.00253971 201 GLN   A HG3  
1531 H  HE21 . GLN   A 89  ? 0.37220100 0.24745792 0.21799666 0.00927464  -0.06061663 0.02608544  201 GLN   A HE21 
1532 H  HE22 . GLN   A 89  ? 0.37075958 0.24887088 0.21609266 0.00969412  -0.05708693 0.02501784  201 GLN   A HE22 
1533 N  N    . VAL   A 90  ? 0.22966205 0.12592250 0.08604316 -0.01027440 0.00796342  -0.01137399 202 VAL   A N    
1534 C  CA   . VAL   A 90  ? 0.23807296 0.14659381 0.08826577 -0.00874864 0.01215718  -0.01091726 202 VAL   A CA   
1535 C  C    . VAL   A 90  ? 0.23309951 0.14518620 0.09910287 -0.01154274 -0.00189932 -0.00493488 202 VAL   A C    
1536 O  O    . VAL   A 90  ? 0.24987495 0.15290740 0.12025420 -0.00750154 0.00312614  -0.00747644 202 VAL   A O    
1537 C  CB   . VAL   A 90  ? 0.25259486 0.13618480 0.07031441 -0.00989640 0.01910296  -0.02152721 202 VAL   A CB   
1538 C  CG1  . VAL   A 90  ? 0.26354286 0.16616611 0.09621415 -0.01792778 0.00589124  -0.00201758 202 VAL   A CG1  
1539 C  CG2  . VAL   A 90  ? 0.25542790 0.14079612 0.06520080 -0.01211005 0.02571413  0.00813281  202 VAL   A CG2  
1540 H  H    . VAL   A 90  ? 0.23092319 0.13170296 0.09051284 -0.01170610 0.01013550  -0.01315937 202 VAL   A H    
1541 H  HA   . VAL   A 90  ? 0.23794506 0.14070027 0.08724943 -0.00977162 0.01018384  -0.01223561 202 VAL   A HA   
1542 H  HB   . VAL   A 90  ? 0.24967828 0.14296366 0.07640228 -0.01030078 0.01792618  -0.01155029 202 VAL   A HB   
1543 H  HG11 . VAL   A 90  ? 0.26337859 0.15824015 0.08937577 -0.01669968 0.00806011  -0.00763846 202 VAL   A HG11 
1544 H  HG12 . VAL   A 90  ? 0.26058844 0.16263533 0.08866017 -0.01563257 0.00947466  -0.00795959 202 VAL   A HG12 
1545 H  HG13 . VAL   A 90  ? 0.26072299 0.15828337 0.09089556 -0.01562294 0.00941623  -0.00909256 202 VAL   A HG13 
1546 H  HG21 . VAL   A 90  ? 0.25498143 0.13892052 0.06179835 -0.01159129 0.02431559  0.00152367  202 VAL   A HG21 
1547 H  HG22 . VAL   A 90  ? 0.25581869 0.13940606 0.06616707 -0.01113421 0.02455957  0.00043792  202 VAL   A HG22 
1548 H  HG23 . VAL   A 90  ? 0.25559935 0.13946418 0.06584975 -0.01177938 0.02372991  0.00039824  202 VAL   A HG23 
1549 N  N    . LEU   A 91  ? 0.24351765 0.15188695 0.08026590 -0.01347430 0.00540776  -0.02070407 203 LEU   A N    
1550 C  CA   . LEU   A 91  ? 0.26622009 0.16698118 0.09148578 -0.01306730 -0.00224065 -0.00119380 203 LEU   A CA   
1551 C  C    . LEU   A 91  ? 0.25867212 0.13444422 0.08771378 -0.01369992 0.00716530  -0.01102289 203 LEU   A C    
1552 O  O    . LEU   A 91  ? 0.27233315 0.16073981 0.10690075 -0.01889087 -0.00101732 -0.02406313 203 LEU   A O    
1553 C  CB   . LEU   A 91  ? 0.30405086 0.19070445 0.09469417 -0.01270409 -0.00846508 0.02505579  203 LEU   A CB   
1554 C  CG   . LEU   A 91  ? 0.36696541 0.21302941 0.10269418 -0.01064292 -0.01017351 0.05286621  203 LEU   A CG   
1555 C  CD1  . LEU   A 91  ? 0.38078922 0.22090735 0.11915216 0.00476238  -0.01019212 0.06340457  203 LEU   A CD1  
1556 C  CD2  . LEU   A 91  ? 0.42892179 0.25485718 0.12990929 -0.01136318 0.02195086  0.03928718  203 LEU   A CD2  
1557 H  H    . LEU   A 91  ? 0.24323629 0.15191056 0.08627420 -0.01141792 0.00334675  -0.01381498 203 LEU   A H    
1558 H  HA   . LEU   A 91  ? 0.26618114 0.16034910 0.08949544 -0.01331258 0.00011109  -0.00266860 203 LEU   A HA   
1559 H  HB2  . LEU   A 91  ? 0.30346528 0.18770766 0.09497959 -0.01247385 -0.00726058 0.02373384  203 LEU   A HB2  
1560 H  HB3  . LEU   A 91  ? 0.30381498 0.18787330 0.09520434 -0.01276578 -0.00721774 0.02356499  203 LEU   A HB3  
1561 H  HG   . LEU   A 91  ? 0.36074534 0.21360667 0.10609026 -0.00883576 -0.00527344 0.04618104  203 LEU   A HG   
1562 H  HD11 . LEU   A 91  ? 0.37403166 0.21714795 0.11749882 0.00043246  -0.01075767 0.05835991  203 LEU   A HD11 
1563 H  HD12 . LEU   A 91  ? 0.37622246 0.21987538 0.11527167 0.00063939  -0.01001268 0.05979155  203 LEU   A HD12 
1564 H  HD13 . LEU   A 91  ? 0.37764573 0.21905418 0.11679657 0.00135202  -0.00847133 0.06090909  203 LEU   A HD13 
1565 H  HD21 . LEU   A 91  ? 0.41360685 0.24381441 0.12161730 -0.01304811 0.01212884  0.04441029  203 LEU   A HD21 
1566 H  HD22 . LEU   A 91  ? 0.41235450 0.24390224 0.12580544 -0.00894305 0.01625839  0.04649240  203 LEU   A HD22 
1567 H  HD23 . LEU   A 91  ? 0.40923706 0.24997512 0.12167445 -0.01022105 0.01242067  0.04328004  203 LEU   A HD23 
1568 N  N    . VAL   A 92  ? 0.25376636 0.12952393 0.09357688 -0.01013348 0.01180285  -0.00355885 204 VAL   A N    
1569 C  CA   . VAL   A 92  ? 0.27215108 0.11398573 0.10664632 -0.01094480 0.00488193  -0.01265517 204 VAL   A CA   
1570 C  C    . VAL   A 92  ? 0.27957425 0.12262163 0.10813253 -0.01258554 0.00055414  -0.01265952 204 VAL   A C    
1571 O  O    . VAL   A 92  ? 0.29033378 0.14058413 0.15934417 -0.00956591 0.00609213  0.01330771  204 VAL   A O    
1572 C  CB   . VAL   A 92  ? 0.29592758 0.13308342 0.11051609 -0.01626799 0.01062531  -0.02723973 204 VAL   A CB   
1573 C  CG1  . VAL   A 92  ? 0.30068380 0.12687127 0.11139580 -0.01379321 -0.00447504 -0.02600918 204 VAL   A CG1  
1574 C  CG2  . VAL   A 92  ? 0.30411336 0.13875875 0.10040889 -0.01721691 0.01214161  -0.04841455 204 VAL   A CG2  
1575 H  H    . VAL   A 92  ? 0.25757077 0.12783745 0.09509549 -0.01066863 0.00902478  -0.00760128 204 VAL   A H    
1576 H  HA   . VAL   A 92  ? 0.27252537 0.12051862 0.10465195 -0.01072649 0.00587797  -0.01235743 204 VAL   A HA   
1577 H  HB   . VAL   A 92  ? 0.29453775 0.13063756 0.10835975 -0.01612642 0.00766578  -0.02838637 204 VAL   A HB   
1578 H  HG11 . VAL   A 92  ? 0.29904562 0.12800981 0.11138231 -0.01390247 -0.00073723 -0.02600404 204 VAL   A HG11 
1579 H  HG12 . VAL   A 92  ? 0.29950824 0.12880419 0.11149476 -0.01419247 -0.00059931 -0.02626933 204 VAL   A HG12 
1580 H  HG13 . VAL   A 92  ? 0.30023119 0.12869753 0.11260635 -0.01468724 -0.00142315 -0.02592723 204 VAL   A HG13 
1581 H  HG21 . VAL   A 92  ? 0.30068281 0.13718750 0.10134453 -0.01668203 0.01288039  -0.04267266 204 VAL   A HG21 
1582 H  HG22 . VAL   A 92  ? 0.30050090 0.13717084 0.10172094 -0.01725907 0.01127322  -0.04243438 204 VAL   A HG22 
1583 H  HG23 . VAL   A 92  ? 0.30204132 0.13843335 0.10273099 -0.01786611 0.01219931  -0.04292969 204 VAL   A HG23 
1584 N  N    . GLU   A 93  ? 0.29070181 0.13054946 0.10669242 -0.02021060 0.01641110  0.01229533  205 GLU   A N    
1585 C  CA   . GLU   A 93  ? 0.30685747 0.14226359 0.12168111 -0.02872460 0.01373275  0.00633917  205 GLU   A CA   
1586 C  C    . GLU   A 93  ? 0.32610372 0.13052689 0.10813870 -0.04963594 0.02131302  0.00946020  205 GLU   A C    
1587 O  O    . GLU   A 93  ? 0.30784023 0.13133024 0.10122160 -0.03800428 0.00579488  0.01159955  205 GLU   A O    
1588 C  CB   . GLU   A 93  ? 0.31740171 0.17588246 0.10932341 -0.02388880 0.02272236  0.00728361  205 GLU   A CB   
1589 C  CG   . GLU   A 93  ? 0.36160961 0.20026192 0.09491128 -0.03986125 0.00664362  0.02488331  205 GLU   A CG   
1590 C  CD   . GLU   A 93  ? 0.40918103 0.33299866 0.20729463 -0.03951436 0.03427550  0.03787643  205 GLU   A CD   
1591 O  OE1  . GLU   A 93  ? 0.43230653 0.39917800 0.38706571 0.03664630  0.06372140  0.02298070  205 GLU   A OE1  
1592 O  OE2  . GLU   A 93  ? 0.60963690 0.49489576 0.27280065 -0.10621847 0.00229653  -0.02997630 205 GLU   A OE2  
1593 H  H    . GLU   A 93  ? 0.29028898 0.12918703 0.10973091 -0.01925994 0.01167111  0.00535535  205 GLU   A H    
1594 H  HA   . GLU   A 93  ? 0.30832797 0.14235221 0.11424113 -0.02962725 0.01684942  0.00851116  205 GLU   A HA   
1595 H  HB2  . GLU   A 93  ? 0.32346639 0.17265652 0.10962562 -0.02820602 0.01733213  0.01038494  205 GLU   A HB2  
1596 H  HB3  . GLU   A 93  ? 0.32418117 0.17320196 0.10973751 -0.02730767 0.01722843  0.01051816  205 GLU   A HB3  
1597 H  HG2  . GLU   A 93  ? 0.35411647 0.20745015 0.11164679 -0.03534672 0.01493589  0.02306377  205 GLU   A HG2  
1598 H  HG3  . GLU   A 93  ? 0.35326499 0.20545724 0.11159391 -0.03737816 0.01553275  0.02323129  205 GLU   A HG3  
1599 N  N    . PRO   A 94  ? 0.31937212 0.12140548 0.07559783 -0.04955716 0.01640081  0.01019342  206 PRO   A N    
1600 C  CA   . PRO   A 94  ? 0.31715113 0.13682985 0.07114954 -0.04344117 0.01672765  0.00046291  206 PRO   A CA   
1601 C  C    . PRO   A 94  ? 0.30671990 0.15770622 0.07699218 -0.03611422 0.00695326  0.00656483  206 PRO   A C    
1602 O  O    . PRO   A 94  ? 0.34133065 0.19714856 0.07606927 -0.05759434 -0.00053649 0.00373612  206 PRO   A O    
1603 C  CB   . PRO   A 94  ? 0.34038308 0.14203110 0.10097896 -0.04995901 0.01598704  0.00077609  206 PRO   A CB   
1604 C  CG   . PRO   A 94  ? 0.34222555 0.14399962 0.11235551 -0.03570301 0.02492073  0.01538318  206 PRO   A CG   
1605 C  CD   . PRO   A 94  ? 0.30936149 0.13353436 0.10510653 -0.04175443 0.01830848  0.03205668  206 PRO   A CD   
1606 H  HA   . PRO   A 94  ? 0.31729823 0.13823062 0.07663120 -0.04381506 0.01636918  0.00301528  206 PRO   A HA   
1607 H  HB2  . PRO   A 94  ? 0.33722341 0.14120658 0.09594242 -0.04577260 0.01736526  0.00390285  206 PRO   A HB2  
1608 H  HB3  . PRO   A 94  ? 0.33543512 0.14129157 0.09590155 -0.04553680 0.01788594  0.00394783  206 PRO   A HB3  
1609 H  HG2  . PRO   A 94  ? 0.33532107 0.14280362 0.10976666 -0.03891319 0.02018224  0.01440731  206 PRO   A HG2  
1610 H  HG3  . PRO   A 94  ? 0.33483145 0.14156960 0.10845198 -0.04009392 0.02111124  0.01579394  206 PRO   A HG3  
1611 H  HD2  . PRO   A 94  ? 0.31787631 0.13259780 0.09896295 -0.04233984 0.01877221  0.02362778  206 PRO   A HD2  
1612 H  HD3  . PRO   A 94  ? 0.31627658 0.13247769 0.09851186 -0.04219898 0.01819517  0.02349614  206 PRO   A HD3  
1613 N  N    . ASP   A 95  ? 0.29428256 0.15326926 0.07997838 -0.03171769 0.00916277  0.01758372  207 ASP   A N    
1614 C  CA   . ASP   A 95  ? 0.28866383 0.14174694 0.10215667 -0.03727649 -0.00432473 -0.01905561 207 ASP   A CA   
1615 C  C    . ASP   A 95  ? 0.27990973 0.14358550 0.10265195 -0.03562110 -0.00338507 -0.01491222 207 ASP   A C    
1616 O  O    . ASP   A 95  ? 0.28688487 0.14556545 0.09788846 -0.03914638 -0.01065855 -0.00927942 207 ASP   A O    
1617 C  CB   . ASP   A 95  ? 0.28916612 0.15579270 0.14417244 -0.03295734 0.00022213  -0.01956265 207 ASP   A CB   
1618 C  CG   . ASP   A 95  ? 0.30625063 0.18113521 0.12846731 -0.04321122 0.00899266  -0.03561558 207 ASP   A CG   
1619 O  OD1  . ASP   A 95  ? 0.31697875 0.16635096 0.14787635 -0.03362553 0.03884879  -0.02162527 207 ASP   A OD1  
1620 O  OD2  . ASP   A 95  ? 0.31535831 0.19717646 0.13019842 -0.05768188 0.02802663  -0.00830565 207 ASP   A OD2  
1621 H  H    . ASP   A 95  ? 0.29608053 0.15109773 0.08169238 -0.03420789 0.00558191  0.00696160  207 ASP   A H    
1622 H  HA   . ASP   A 95  ? 0.28864709 0.14652428 0.10002242 -0.03542319 -0.00094547 -0.01253300 207 ASP   A HA   
1623 H  HB2  . ASP   A 95  ? 0.29269642 0.15773582 0.13953917 -0.03586915 0.00187698  -0.02270383 207 ASP   A HB2  
1624 H  HB3  . ASP   A 95  ? 0.29242337 0.15810616 0.13204865 -0.03425985 0.00075869  -0.02169174 207 ASP   A HB3  
1625 N  N    . HIS   A 96  ? 0.29947311 0.14592651 0.07822111 -0.04572472 -0.00144212 -0.01489048 208 HIS   A N    
1626 C  CA   . HIS   A 96  ? 0.29352227 0.13823459 0.05030812 -0.05266497 0.01590488  -0.01257100 208 HIS   A CA   
1627 C  C    . HIS   A 96  ? 0.27362052 0.12820797 0.08740263 -0.02543053 0.01646052  -0.01161387 208 HIS   A C    
1628 O  O    . HIS   A 96  ? 0.28177580 0.13953835 0.10592297 -0.02535198 -0.00445468 -0.00413697 208 HIS   A O    
1629 C  CB   . HIS   A 96  ? 0.33969507 0.14641246 0.14117226 -0.06498529 0.04661847  -0.04157735 208 HIS   A CB   
1630 C  CG   . HIS   A 96  ? 0.39219174 0.17010981 0.18015745 -0.05375648 0.06709891  -0.01887736 208 HIS   A CG   
1631 N  ND1  . HIS   A 96  ? 0.46628332 0.25252852 0.23955952 -0.08298063 0.10167456  0.07516068  208 HIS   A ND1  
1632 C  CD2  . HIS   A 96  ? 0.38479841 0.26616311 0.21381171 -0.08459702 0.06791709  0.01074392  208 HIS   A CD2  
1633 C  CE1  . HIS   A 96  ? 0.46680826 0.29065734 0.21049993 -0.10710042 0.08590990  0.07254316  208 HIS   A CE1  
1634 N  NE2  . HIS   A 96  ? 0.42801121 0.29801354 0.21987385 -0.06903106 0.08788657  0.05564911  208 HIS   A NE2  
1635 H  H    . HIS   A 96  ? 0.29411462 0.14410080 0.07733485 -0.04523351 0.00263289  -0.01429795 208 HIS   A H    
1636 H  HA   . HIS   A 96  ? 0.29566002 0.13608669 0.06183588 -0.04617843 0.01394295  -0.01051898 208 HIS   A HA   
1637 H  HB2  . HIS   A 96  ? 0.33192843 0.14282699 0.11781637 -0.06008941 0.04148489  -0.02937393 208 HIS   A HB2  
1638 H  HB3  . HIS   A 96  ? 0.33598197 0.14826290 0.11916822 -0.05946173 0.04308763  -0.02867908 208 HIS   A HB3  
1639 H  HD1  . HIS   A 96  ? 0.32436708 0.32436708 0.32436708 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1640 H  HD2  . HIS   A 96  ? 0.38989705 0.24205711 0.20526467 -0.07679346 0.07167745  0.01238681  208 HIS   A HD2  
1641 H  HE1  . HIS   A 96  ? 0.45460826 0.27983332 0.21669087 -0.09484774 0.09125485  0.07022613  208 HIS   A HE1  
1642 H  HE2  . HIS   A 96  ? 0.31613475 0.31613475 0.31613475 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1643 N  N    . PHE   A 97  ? 0.26105842 0.11883071 0.07583706 -0.02687367 -0.00111835 0.01397069  209 PHE   A N    
1644 C  CA   . PHE   A 97  ? 0.25867489 0.11926600 0.11666536 -0.01950108 -0.00970598 0.01104958  209 PHE   A CA   
1645 C  C    . PHE   A 97  ? 0.24512821 0.14191401 0.12797430 -0.01737540 -0.01455172 -0.00669924 209 PHE   A C    
1646 O  O    . PHE   A 97  ? 0.27278218 0.18083730 0.10222745 0.00336842  -0.01348452 -0.01820038 209 PHE   A O    
1647 C  CB   . PHE   A 97  ? 0.25984275 0.10706453 0.12399335 -0.02282975 -0.00825497 0.00187632  209 PHE   A CB   
1648 C  CG   . PHE   A 97  ? 0.28568751 0.12581509 0.09846608 -0.03187088 -0.02124053 -0.00671159 209 PHE   A CG   
1649 C  CD1  . PHE   A 97  ? 0.29487777 0.16515747 0.05293845 -0.02593080 -0.01594023 -0.02915416 209 PHE   A CD1  
1650 C  CD2  . PHE   A 97  ? 0.30394736 0.12132415 0.09429979 -0.02411117 -0.02273798 -0.00761382 209 PHE   A CD2  
1651 C  CE1  . PHE   A 97  ? 0.31571802 0.17331533 0.07433748 -0.01590664 -0.00533276 -0.05022415 209 PHE   A CE1  
1652 C  CE2  . PHE   A 97  ? 0.31681231 0.14801301 0.09284162 -0.04440549 -0.02082373 -0.00414630 209 PHE   A CE2  
1653 C  CZ   . PHE   A 97  ? 0.31336844 0.15525803 0.07393534 -0.03846814 -0.00611924 -0.03526960 209 PHE   A CZ   
1654 H  H    . PHE   A 97  ? 0.26184911 0.11876360 0.08368086 -0.02326329 -0.00113212 0.00989860  209 PHE   A H    
1655 H  HA   . PHE   A 97  ? 0.25654954 0.12054485 0.11114165 -0.02051893 -0.00849169 0.00683510  209 PHE   A HA   
1656 H  HB2  . PHE   A 97  ? 0.26397616 0.11262218 0.11668008 -0.02247835 -0.01164213 0.00222704  209 PHE   A HB2  
1657 H  HB3  . PHE   A 97  ? 0.26533398 0.11382905 0.11694584 -0.02353851 -0.01119041 0.00215547  209 PHE   A HB3  
1658 H  HD1  . PHE   A 97  ? 0.29439694 0.15737543 0.06251722 -0.02473617 -0.01866556 -0.02739173 209 PHE   A HD1  
1659 H  HD2  . PHE   A 97  ? 0.30116245 0.12828819 0.09460557 -0.02961254 -0.02161177 -0.00719428 209 PHE   A HD2  
1660 H  HE1  . PHE   A 97  ? 0.30963948 0.16634651 0.06949169 -0.02360363 -0.00831867 -0.04096976 209 PHE   A HE1  
1661 H  HE2  . PHE   A 97  ? 0.31259900 0.14372858 0.08878107 -0.03808513 -0.01742527 -0.01222313 209 PHE   A HE2  
1662 H  HZ   . PHE   A 97  ? 0.31344742 0.15683202 0.07374436 -0.03415444 -0.00761973 -0.03249812 209 PHE   A HZ   
1663 N  N    . LYS   A 98  ? 0.24990410 0.13607997 0.09575213 -0.02192007 -0.00294638 -0.02091045 210 LYS   A N    
1664 C  CA   . LYS   A 98  ? 0.24536541 0.17143315 0.09849708 -0.02220502 0.00617264  -0.01722090 210 LYS   A CA   
1665 C  C    . LYS   A 98  ? 0.23023741 0.15364605 0.11462170 -0.01229238 0.00299240  -0.00544196 210 LYS   A C    
1666 O  O    . LYS   A 98  ? 0.24408180 0.16464333 0.20387961 -0.00644924 0.00645313  -0.03923836 210 LYS   A O    
1667 C  CB   . LYS   A 98  ? 0.28121415 0.20774151 0.13424963 -0.03235956 0.00302490  -0.00010164 210 LYS   A CB   
1668 C  CG   . LYS   A 98  ? 0.35477495 0.22915034 0.20116325 -0.04258769 0.02729817  -0.06354645 210 LYS   A CG   
1669 H  H    . LYS   A 98  ? 0.24759033 0.14362131 0.10339066 -0.02042528 -0.00357376 -0.01670234 210 LYS   A H    
1670 H  HA   . LYS   A 98  ? 0.24803784 0.16483325 0.10500096 -0.02156537 0.00321833  -0.01322000 210 LYS   A HA   
1671 H  HB2  . LYS   A 98  ? 0.28412047 0.20186253 0.13492975 -0.03024614 0.00876610  -0.01531324 210 LYS   A HB2  
1672 H  HB3  . LYS   A 98  ? 0.28377479 0.20114240 0.13455239 -0.03149294 0.00820911  -0.01544067 210 LYS   A HB3  
1673 H  HG2  . LYS   A 98  ? 0.33330879 0.22382736 0.17807648 -0.03481466 0.02126565  -0.03967655 210 LYS   A HG2  
1674 H  HG3  . LYS   A 98  ? 0.27152807 0.27152807 0.27152807 0.00000000  0.00000000  0.00000000  210 LYS   A HG3  
1675 N  N    . VAL   A 99  ? 0.23173405 0.15151267 0.07041787 -0.01290311 0.00976565  -0.00991287 211 VAL   A N    
1676 C  CA   . VAL   A 99  ? 0.23914991 0.14618514 0.05997064 -0.00905415 -0.00422085 -0.01596999 211 VAL   A CA   
1677 C  C    . VAL   A 99  ? 0.23258796 0.13685317 0.06279707 -0.01863291 0.00372161  -0.01375961 211 VAL   A C    
1678 O  O    . VAL   A 99  ? 0.24215682 0.17259201 0.06081785 -0.01488923 0.01884076  -0.01280256 211 VAL   A O    
1679 C  CB   . VAL   A 99  ? 0.24431640 0.14519422 0.07386392 0.00142315  0.00585715  -0.01239835 211 VAL   A CB   
1680 C  CG1  . VAL   A 99  ? 0.24930215 0.16532135 0.07004686 -0.00393611 -0.01430029 0.00010213  211 VAL   A CG1  
1681 C  CG2  . VAL   A 99  ? 0.24640158 0.17143655 0.07677054 0.00992187  -0.00936128 -0.01072402 211 VAL   A CG2  
1682 H  H    . VAL   A 99  ? 0.23236956 0.15086907 0.07707947 -0.01180840 0.00526929  -0.01042771 211 VAL   A H    
1683 H  HA   . VAL   A 99  ? 0.23825136 0.14552984 0.06537373 -0.01022183 0.00142227  -0.01386086 211 VAL   A HA   
1684 H  HB   . VAL   A 99  ? 0.24252830 0.15275225 0.07069635 0.00083436  -0.00154791 -0.01085389 211 VAL   A HB   
1685 H  HG11 . VAL   A 99  ? 0.24968344 0.15974484 0.07158291 -0.00318855 -0.00881184 -0.00322973 211 VAL   A HG11 
1686 H  HG12 . VAL   A 99  ? 0.24819922 0.15946832 0.07266497 -0.00267359 -0.00853609 -0.00306068 211 VAL   A HG12 
1687 H  HG13 . VAL   A 99  ? 0.24826688 0.15925774 0.07140408 -0.00254090 -0.00854712 -0.00319429 211 VAL   A HG13 
1688 H  HG21 . VAL   A 99  ? 0.24625152 0.16550568 0.07669009 0.00725370  -0.00456773 -0.01231355 211 VAL   A HG21 
1689 H  HG22 . VAL   A 99  ? 0.24710757 0.16469777 0.07614673 0.00816329  -0.00438516 -0.01119598 211 VAL   A HG22 
1690 H  HG23 . VAL   A 99  ? 0.24676779 0.16423091 0.07615688 0.00718127  -0.00485384 -0.01133008 211 VAL   A HG23 
1691 N  N    . ALA   A 100 ? 0.23822442 0.15147093 0.03990405 -0.01642456 0.00350137  -0.00031708 212 ALA   A N    
1692 C  CA   . ALA   A 100 ? 0.25085938 0.15369102 0.03625441 -0.01660600 0.00332136  0.00009728  212 ALA   A CA   
1693 C  C    . ALA   A 100 ? 0.22815768 0.16193753 0.06859238 -0.01666346 -0.00068926 -0.01816259 212 ALA   A C    
1694 O  O    . ALA   A 100 ? 0.22188292 0.16326486 0.12057142 -0.01351292 0.01473235  -0.02759482 212 ALA   A O    
1695 C  CB   . ALA   A 100 ? 0.29335782 0.16564168 0.07944655 -0.00841943 -0.00416001 0.01234908  212 ALA   A CB   
1696 H  H    . ALA   A 100 ? 0.23913082 0.14847185 0.04493843 -0.01674215 0.00360363  -0.00367707 212 ALA   A H    
1697 H  HA   . ALA   A 100 ? 0.24928781 0.15641807 0.04882742 -0.01537469 0.00192841  -0.00147765 212 ALA   A HA   
1698 H  HB1  . ALA   A 100 ? 0.28180605 0.16473556 0.06647811 -0.00845175 -0.00169312 0.00949236  212 ALA   A HB1  
1699 H  HB2  . ALA   A 100 ? 0.28268787 0.16328274 0.06690472 -0.01206774 -0.00276126 0.01008555  212 ALA   A HB2  
1700 H  HB3  . ALA   A 100 ? 0.27974686 0.16388595 0.07486894 -0.01016153 -0.00044544 0.01290718  212 ALA   A HB3  
1701 N  N    . VAL   A 101 ? 0.23093851 0.14658788 0.06763688 -0.01886032 0.01840737  -0.01108282 213 VAL   A N    
1702 C  CA   . VAL   A 101 ? 0.23520611 0.14426574 0.05382926 -0.01423764 0.01055129  -0.01305332 213 VAL   A CA   
1703 C  C    . VAL   A 101 ? 0.23085411 0.15405849 0.06091145 -0.00747311 0.01307265  -0.00964895 213 VAL   A C    
1704 O  O    . VAL   A 101 ? 0.23728663 0.18348828 0.04614603 -0.01765595 0.02191901  -0.00527160 213 VAL   A O    
1705 C  CB   . VAL   A 101 ? 0.24599117 0.14763862 0.04893042 -0.00528224 0.00425509  -0.02663058 213 VAL   A CB   
1706 C  CG1  . VAL   A 101 ? 0.25959390 0.14177397 0.07452419 -0.00263379 -0.00702918 -0.01054651 213 VAL   A CG1  
1707 C  CG2  . VAL   A 101 ? 0.24885839 0.14775030 0.05735979 -0.01342122 -0.00675075 -0.00556868 213 VAL   A CG2  
1708 H  H    . VAL   A 101 ? 0.22966982 0.14962862 0.06357811 -0.01718577 0.01354593  -0.01296668 213 VAL   A H    
1709 H  HA   . VAL   A 101 ? 0.23574643 0.14744626 0.05722364 -0.01225094 0.01110370  -0.01455813 213 VAL   A HA   
1710 H  HB   . VAL   A 101 ? 0.24534345 0.14642040 0.05507655 -0.00684336 0.00393028  -0.01810887 213 VAL   A HB   
1711 H  HG11 . VAL   A 101 ? 0.25793862 0.14344606 0.06874389 -0.00401894 -0.00499770 -0.01447819 213 VAL   A HG11 
1712 H  HG12 . VAL   A 101 ? 0.25607994 0.14338261 0.07238837 -0.00328671 -0.00266760 -0.01423756 213 VAL   A HG12 
1713 H  HG13 . VAL   A 101 ? 0.25571412 0.14185764 0.06776185 -0.00275645 -0.00404899 -0.01422564 213 VAL   A HG13 
1714 H  HG21 . VAL   A 101 ? 0.24821764 0.14659078 0.05504071 -0.01094231 -0.00408603 -0.01105969 213 VAL   A HG21 
1715 H  HG22 . VAL   A 101 ? 0.24795422 0.14713916 0.05522316 -0.01162100 -0.00388086 -0.01140115 213 VAL   A HG22 
1716 H  HG23 . VAL   A 101 ? 0.24993569 0.14766189 0.05602424 -0.01187990 -0.00512140 -0.01094489 213 VAL   A HG23 
1717 N  N    . ASN   A 102 ? 0.24304846 0.15856510 0.06157483 -0.00175187 0.00155504  -0.00967942 214 ASN   A N    
1718 C  CA   . ASN   A 102 ? 0.24563456 0.15525393 0.05779777 0.00024287  -0.00384564 -0.01179546 214 ASN   A CA   
1719 C  C    . ASN   A 102 ? 0.28138176 0.17194025 0.08270837 -0.00702056 0.00382347  -0.00736938 214 ASN   A C    
1720 O  O    . ASN   A 102 ? 0.32879514 0.21825294 0.06433995 -0.01560426 0.01530811  0.00059302  214 ASN   A O    
1721 C  CB   . ASN   A 102 ? 0.24805149 0.15364237 0.07887364 0.00178394  -0.00767071 -0.01277506 214 ASN   A CB   
1722 C  CG   . ASN   A 102 ? 0.23183569 0.13714093 0.08394305 0.01539634  -0.00406628 -0.02007213 214 ASN   A CG   
1723 O  OD1  . ASN   A 102 ? 0.22685944 0.14331925 0.10095860 0.00179432  0.00145082  -0.03327071 214 ASN   A OD1  
1724 N  ND2  . ASN   A 102 ? 0.25611210 0.13112722 0.09109781 0.01051446  0.00374604  -0.03886946 214 ASN   A ND2  
1725 H  H    . ASN   A 102 ? 0.24149922 0.15661202 0.06178480 -0.00292761 0.00217255  -0.01003707 214 ASN   A H    
1726 H  HA   . ASN   A 102 ? 0.24873620 0.15781707 0.06605366 -0.00063314 -0.00223762 -0.01099342 214 ASN   A HA   
1727 H  HB2  . ASN   A 102 ? 0.24580801 0.15042768 0.07543578 0.00399210  -0.00577260 -0.01424287 214 ASN   A HB2  
1728 H  HB3  . ASN   A 102 ? 0.24468225 0.15046269 0.07668994 0.00440595  -0.00522529 -0.01412562 214 ASN   A HB3  
1729 H  HD21 . ASN   A 102 ? 0.24898610 0.13353732 0.08923960 0.01194800  0.00088358  -0.03290215 214 ASN   A HD21 
1730 H  HD22 . ASN   A 102 ? 0.24893001 0.13424240 0.08980229 0.01251624  0.00078823  -0.03385935 214 ASN   A HD22 
1731 N  N    . ASP   A 103 ? 0.29496470 0.17904533 0.08596917 -0.02267648 -0.00435668 0.00778589  215 ASP   A N    
1732 C  CA   . ASP   A 103 ? 0.31995127 0.20009603 0.08187039 -0.02011882 -0.01903903 0.03147059  215 ASP   A CA   
1733 C  C    . ASP   A 103 ? 0.32096294 0.19766812 0.07901996 -0.00820735 0.00518697  0.04013088  215 ASP   A C    
1734 O  O    . ASP   A 103 ? 0.37488261 0.25281218 0.14182998 -0.00365220 0.04050827  0.09762055  215 ASP   A O    
1735 C  CB   . ASP   A 103 ? 0.33741373 0.21588144 0.07106679 -0.01511970 -0.02084293 0.04137137  215 ASP   A CB   
1736 C  CG   . ASP   A 103 ? 0.34618735 0.26501387 0.12218693 -0.00191004 -0.03933125 0.01881693  215 ASP   A CG   
1737 O  OD1  . ASP   A 103 ? 0.37208942 0.22590698 0.19140080 0.00072431  -0.04894280 0.01093881  215 ASP   A OD1  
1738 O  OD2  . ASP   A 103 ? 0.35724753 0.33769411 0.29611728 -0.02264992 -0.05302463 0.01057243  215 ASP   A OD2  
1739 H  H    . ASP   A 103 ? 0.29509521 0.18070546 0.08493596 -0.01813077 -0.00560515 0.00873244  215 ASP   A H    
1740 H  HA   . ASP   A 103 ? 0.31804061 0.19948319 0.08185611 -0.01756155 -0.01239723 0.03101352  215 ASP   A HA   
1741 H  HB2  . ASP   A 103 ? 0.33422056 0.21978505 0.08310223 -0.01427606 -0.02332890 0.03461244  215 ASP   A HB2  
1742 H  HB3  . ASP   A 103 ? 0.33325851 0.21626048 0.08141552 -0.01630191 -0.02175018 0.03792469  215 ASP   A HB3  
1743 N  N    . ALA   A 104 ? 0.30482712 0.19417679 0.05550241 -0.01276188 0.00158949  0.02668100  216 ALA   A N    
1744 C  CA   . ALA   A 104 ? 0.29242742 0.20828448 0.09439790 -0.01436406 0.00028021  0.02100512  216 ALA   A CA   
1745 C  C    . ALA   A 104 ? 0.28278285 0.21696693 0.07206333 -0.02300957 0.02578668  0.02742841  216 ALA   A C    
1746 O  O    . ALA   A 104 ? 0.29710892 0.21149200 0.06642380 -0.02272428 0.03026374  0.02184337  216 ALA   A O    
1747 C  CB   . ALA   A 104 ? 0.30875313 0.25920597 0.10023423 -0.00222313 0.00373099  0.01461344  216 ALA   A CB   
1748 H  H    . ALA   A 104 ? 0.30384749 0.19545908 0.06629246 -0.01339279 0.00355821  0.02990678  216 ALA   A H    
1749 H  HA   . ALA   A 104 ? 0.29630983 0.21608083 0.08455380 -0.01313714 0.00542054  0.02118850  216 ALA   A HA   
1750 H  HB1  . ALA   A 104 ? 0.30486432 0.24357291 0.10119595 -0.00535228 0.00331368  0.01610162  216 ALA   A HB1  
1751 H  HB2  . ALA   A 104 ? 0.30634397 0.24675134 0.10335772 -0.00406540 0.00183012  0.01324287  216 ALA   A HB2  
1752 H  HB3  . ALA   A 104 ? 0.30579302 0.24353944 0.09987085 -0.00554103 0.00243163  0.01585885  216 ALA   A HB3  
1753 N  N    . HIS   A 105 ? 0.30500749 0.20958999 0.06015917 -0.02781702 0.01845182  0.03555882  217 HIS   A N    
1754 C  CA   . HIS   A 105 ? 0.29546079 0.22698030 0.08756839 -0.02647166 0.00665869  0.00354714  217 HIS   A CA   
1755 C  C    . HIS   A 105 ? 0.29800159 0.23789486 0.07602096 -0.01031294 0.00891736  0.00327613  217 HIS   A C    
1756 O  O    . HIS   A 105 ? 0.31221506 0.27857488 0.06692693 -0.01219149 -0.01270067 -0.01629284 217 HIS   A O    
1757 C  CB   . HIS   A 105 ? 0.32121018 0.25652230 0.11470715 -0.04325721 0.00443922  0.01622330  217 HIS   A CB   
1758 C  CG   . HIS   A 105 ? 0.33191609 0.27051014 0.12577869 -0.08351259 0.00425914  -0.00119858 217 HIS   A CG   
1759 N  ND1  . HIS   A 105 ? 0.37022808 0.29384407 0.17827468 -0.05955846 -0.02953300 -0.03735369 217 HIS   A ND1  
1760 C  CD2  . HIS   A 105 ? 0.35388839 0.29720473 0.08306250 -0.06798488 0.01857106  0.01002538  217 HIS   A CD2  
1761 C  CE1  . HIS   A 105 ? 0.35443258 0.27069062 0.17805354 -0.05225800 -0.03308631 -0.00851311 217 HIS   A CE1  
1762 N  NE2  . HIS   A 105 ? 0.31470561 0.32108182 0.11269289 -0.06487182 -0.00422464 0.00377349  217 HIS   A NE2  
1763 H  H    . HIS   A 105 ? 0.29738873 0.21181756 0.05910338 -0.02779524 0.01995382  0.03287051  217 HIS   A H    
1764 H  HA   . HIS   A 105 ? 0.30040917 0.22945510 0.08325057 -0.02572622 0.00980581  0.01110411  217 HIS   A HA   
1765 H  HB2  . HIS   A 105 ? 0.31726319 0.25163174 0.11082199 -0.04742651 0.00452905  0.00993341  217 HIS   A HB2  
1766 H  HB3  . HIS   A 105 ? 0.31832647 0.25254545 0.11283206 -0.04827117 0.00324868  0.01059606  217 HIS   A HB3  
1767 H  HD1  . HIS   A 105 ? 0.28343332 0.28343332 0.28343332 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1768 H  HD2  . HIS   A 105 ? 0.33912849 0.29475877 0.09923315 -0.06932791 0.01135816  0.00476385  217 HIS   A HD2  
1769 H  HE1  . HIS   A 105 ? 0.34853271 0.28910547 0.16907421 -0.05669606 -0.02476030 -0.00728786 217 HIS   A HE1  
1770 H  HE2  . HIS   A 105 ? 0.25109920 0.25109920 0.25109920 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1771 N  N    . LEU   A 106 ? 0.25703755 0.21369871 0.06385198 -0.00136983 0.01949709  -0.01823052 218 LEU   A N    
1772 C  CA   . LEU   A 106 ? 0.24033326 0.22647218 0.06871837 0.01244657  0.02752001  -0.03019335 218 LEU   A CA   
1773 C  C    . LEU   A 106 ? 0.24568585 0.22450843 0.08827017 0.00069057  0.02094491  -0.00349242 218 LEU   A C    
1774 O  O    . LEU   A 106 ? 0.24491698 0.26850262 0.11404493 -0.00400007 0.01952821  -0.02417407 218 LEU   A O    
1775 C  CB   . LEU   A 106 ? 0.25912589 0.22554471 0.08805104 0.01603411  0.02009368  -0.03070542 218 LEU   A CB   
1776 C  CG   . LEU   A 106 ? 0.26229748 0.21865088 0.08234562 0.01723058  0.00727789  -0.02255149 218 LEU   A CG   
1777 C  CD1  . LEU   A 106 ? 0.27094853 0.23105837 0.12912850 0.01955554  0.02880207  -0.02187920 218 LEU   A CD1  
1778 C  CD2  . LEU   A 106 ? 0.27075472 0.19673541 0.12554249 0.01253055  0.00373863  0.00338597  218 LEU   A CD2  
1779 H  H    . LEU   A 106 ? 0.26034677 0.21922165 0.06580960 0.00110368  0.02022940  -0.01791549 218 LEU   A H    
1780 H  HA   . LEU   A 106 ? 0.24706116 0.22039421 0.06898414 0.01036448  0.02598991  -0.02771727 218 LEU   A HA   
1781 H  HB2  . LEU   A 106 ? 0.25682202 0.22443812 0.08347624 0.01594406  0.02023575  -0.02817636 218 LEU   A HB2  
1782 H  HB3  . LEU   A 106 ? 0.25581500 0.22401334 0.08304480 0.01527590  0.01898458  -0.02799784 218 LEU   A HB3  
1783 H  HG   . LEU   A 106 ? 0.26048356 0.21751094 0.09490668 0.01514145  0.00929764  -0.02033545 218 LEU   A HG   
1784 H  HD11 . LEU   A 106 ? 0.26920706 0.22777614 0.11411605 0.01912473  0.02299177  -0.02244829 218 LEU   A HD11 
1785 H  HD12 . LEU   A 106 ? 0.26940671 0.23003103 0.11544672 0.01824698  0.02367043  -0.02376967 218 LEU   A HD12 
1786 H  HD13 . LEU   A 106 ? 0.27222094 0.22806115 0.11730170 0.02022193  0.02594034  -0.02121763 218 LEU   A HD13 
1787 H  HD21 . LEU   A 106 ? 0.26905897 0.20652437 0.11530315 0.01282073  0.00365498  -0.00046744 218 LEU   A HD21 
1788 H  HD22 . LEU   A 106 ? 0.27022195 0.20385210 0.11379010 0.01440178  0.00592236  -0.00265676 218 LEU   A HD22 
1789 H  HD23 . LEU   A 106 ? 0.26833752 0.20131382 0.11206112 0.01481952  0.00420042  -0.00163386 218 LEU   A HD23 
1790 N  N    . LEU   A 107 ? 0.23993257 0.22337709 0.06305936 0.01092497  -0.00118655 -0.00118683 219 LEU   A N    
1791 C  CA   . LEU   A 107 ? 0.24722406 0.22212124 0.07557004 0.00597507  0.00462092  -0.01315732 219 LEU   A CA   
1792 C  C    . LEU   A 107 ? 0.24188176 0.19768301 0.06101619 -0.00341684 0.02705057  -0.00667171 219 LEU   A C    
1793 O  O    . LEU   A 107 ? 0.24811664 0.19437867 0.06492896 0.00507822  0.00343073  -0.01613339 219 LEU   A O    
1794 C  CB   . LEU   A 107 ? 0.25171626 0.23885459 0.09025788 0.00982263  0.00715130  0.00882379  219 LEU   A CB   
1795 C  CG   . LEU   A 107 ? 0.25826782 0.24741101 0.06130206 0.00538629  -0.00189488 0.01761396  219 LEU   A CG   
1796 C  CD1  . LEU   A 107 ? 0.27778986 0.24839699 0.06804106 -0.00219785 0.02313710  0.01628179  219 LEU   A CD1  
1797 C  CD2  . LEU   A 107 ? 0.26936090 0.22145002 0.11935955 0.00270738  -0.00955943 0.00198593  219 LEU   A CD2  
1798 H  H    . LEU   A 107 ? 0.24132638 0.22248082 0.07094894 0.00834913  0.00548485  -0.00464019 219 LEU   A H    
1799 H  HA   . LEU   A 107 ? 0.24786088 0.22024009 0.07347449 0.00586985  0.00712768  -0.00628412 219 LEU   A HA   
1800 H  HB2  . LEU   A 107 ? 0.25450483 0.23715921 0.08202185 0.00850563  0.00650832  0.00649368  219 LEU   A HB2  
1801 H  HB3  . LEU   A 107 ? 0.25280455 0.23851240 0.08186628 0.00743520  0.00462343  0.00683484  219 LEU   A HB3  
1802 H  HG   . LEU   A 107 ? 0.25726837 0.24140190 0.07516419 0.00517283  -0.00058325 0.01362136  219 LEU   A HG   
1803 H  HD11 . LEU   A 107 ? 0.27215502 0.24822941 0.06645049 -0.00029413 0.01672045  0.01596774  219 LEU   A HD11 
1804 H  HD12 . LEU   A 107 ? 0.27155456 0.24791950 0.06614310 -0.00050410 0.01719792  0.01664008  219 LEU   A HD12 
1805 H  HD13 . LEU   A 107 ? 0.27559829 0.24812248 0.06787807 -0.00052277 0.01886344  0.01626029  219 LEU   A HD13 
1806 H  HD21 . LEU   A 107 ? 0.26729518 0.22985733 0.10406736 0.00366494  -0.00737760 0.00749658  219 LEU   A HD21 
1807 H  HD22 . LEU   A 107 ? 0.26906410 0.22922653 0.10382359 0.00333275  -0.00633852 0.00646627  219 LEU   A HD22 
1808 H  HD23 . LEU   A 107 ? 0.26983318 0.22867972 0.10420714 0.00430156  -0.00925111 0.00614964  219 LEU   A HD23 
1809 N  N    A GLN   A 108 ? 0.25652173 0.21339864 0.09104771 0.00014422  0.01558302  -0.00942927 220 GLN   A N    
1810 N  N    B GLN   A 108 ? 0.25919297 0.21737708 0.06188833 0.00279500  0.01485684  -0.00028263 220 GLN   A N    
1811 C  CA   A GLN   A 108 ? 0.29676318 0.22178033 0.10051275 -0.00661428 0.00841141  -0.01121501 220 GLN   A CA   
1812 C  CA   B GLN   A 108 ? 0.30026555 0.22627948 0.04926243 -0.00283908 0.00785291  0.00641656  220 GLN   A CA   
1813 C  C    A GLN   A 108 ? 0.26817977 0.20005542 0.08945137 -0.00725507 0.00307067  -0.02378293 220 GLN   A C    
1814 C  C    B GLN   A 108 ? 0.28292874 0.21422385 0.04219021 -0.00655945 -0.00007635 -0.00755237 220 GLN   A C    
1815 O  O    A GLN   A 108 ? 0.28198344 0.21704030 0.14493817 -0.00169892 -0.00322521 -0.01921287 220 GLN   A O    
1816 O  O    B GLN   A 108 ? 0.30610371 0.25585091 0.00651064 0.00625039  0.00616505  -0.00344753 220 GLN   A O    
1817 C  CB   A GLN   A 108 ? 0.34631896 0.23558868 0.13913758 -0.02282518 0.01171003  0.00572951  220 GLN   A CB   
1818 C  CB   B GLN   A 108 ? 0.34469372 0.23699024 0.05941530 -0.01323179 0.01149913  0.04146270  220 GLN   A CB   
1819 C  CG   A GLN   A 108 ? 0.37287357 0.27915254 0.16052088 -0.03079612 0.00549976  0.01419636  220 GLN   A CG   
1820 C  CG   B GLN   A 108 ? 0.35975960 0.26425394 0.10132029 -0.01798640 0.00982502  0.05176060  220 GLN   A CG   
1821 C  CD   A GLN   A 108 ? 0.41040960 0.30680653 0.19623652 -0.03975560 0.00826214  0.02925588  220 GLN   A CD   
1822 C  CD   B GLN   A 108 ? 0.38968110 0.31805605 0.19255863 -0.03468940 -0.00686839 0.03423486  220 GLN   A CD   
1823 O  OE1  A GLN   A 108 ? 0.46853459 0.38970500 0.19623528 -0.06513670 -0.00987172 0.05746812  220 GLN   A OE1  
1824 O  OE1  B GLN   A 108 ? 0.42899519 0.30586678 0.24649835 -0.04178079 0.02481629  0.06800406  220 GLN   A OE1  
1825 N  NE2  A GLN   A 108 ? 0.38934475 0.34059036 0.19455321 -0.05357972 -0.00058389 0.04216966  220 GLN   A NE2  
1826 N  NE2  B GLN   A 108 ? 0.41596770 0.37525570 0.28270334 -0.03781690 -0.02747060 0.01328186  220 GLN   A NE2  
1827 H  H    A GLN   A 108 ? 0.25859874 0.21066159 0.08464660 -0.00133286 0.01714867  -0.00921363 220 GLN   A H    
1828 H  H    B GLN   A 108 ? 0.26111850 0.21394858 0.05938112 0.00076976  0.01653676  -0.00075788 220 GLN   A H    
1829 H  HA   A GLN   A 108 ? 0.29093108 0.21672320 0.10041792 -0.00830612 0.00896889  -0.01071217 220 GLN   A HA   
1830 H  HA   B GLN   A 108 ? 0.29536447 0.22268376 0.05228226 -0.00440249 0.00805245  0.00742735  220 GLN   A HA   
1831 H  HB2  A GLN   A 108 ? 0.34103838 0.23980322 0.13250174 -0.02098253 0.00974443  0.00329854  220 GLN   A HB2  
1832 H  HB2  B GLN   A 108 ? 0.33513406 0.23980550 0.06455115 -0.01167902 0.00982391  0.03626822  220 GLN   A HB2  
1833 H  HB3  A GLN   A 108 ? 0.33817887 0.24066937 0.13311985 -0.02065029 0.00949005  0.00408998  220 GLN   A HB3  
1834 H  HB3  B GLN   A 108 ? 0.33462375 0.23853961 0.06135801 -0.01108539 0.00892597  0.03634761  220 GLN   A HB3  
1835 H  HG2  A GLN   A 108 ? 0.37251335 0.27302796 0.16157740 -0.03090346 0.00730590  0.01510860  220 GLN   A HG2  
1836 H  HG2  B GLN   A 108 ? 0.36065891 0.26584920 0.10506930 -0.01954709 0.00688301  0.04665556  220 GLN   A HG2  
1837 H  HG3  A GLN   A 108 ? 0.37276879 0.27356595 0.16207813 -0.03108947 0.00717343  0.01582281  220 GLN   A HG3  
1838 H  HG3  B GLN   A 108 ? 0.36049855 0.26525396 0.10310495 -0.01832939 0.00551205  0.04887718  220 GLN   A HG3  
1839 H  HE21 A GLN   A 108 ? 0.39543429 0.33071762 0.19445600 -0.04904625 0.00165746  0.03872260  220 GLN   A HE21 
1840 H  HE21 B GLN   A 108 ? 0.40853748 0.36780667 0.25696510 -0.03899293 -0.01833830 0.01270642  220 GLN   A HE21 
1841 H  HE22 A GLN   A 108 ? 0.39582783 0.33242011 0.19509889 -0.04868034 0.00179489  0.03794916  220 GLN   A HE22 
1842 H  HE22 B GLN   A 108 ? 0.40994784 0.36369988 0.25281334 -0.03353795 -0.01989763 0.01880186  220 GLN   A HE22 
1843 N  N    . TYR   A 109 ? 0.24952963 0.18671186 0.05623502 -0.01168080 0.00000256  -0.00587885 221 TYR   A N    
1844 C  CA   . TYR   A 109 ? 0.24259946 0.16749968 0.06492462 -0.01284811 -0.00474230 -0.00043058 221 TYR   A CA   
1845 C  C    . TYR   A 109 ? 0.23800173 0.17008482 0.05143731 -0.01759398 -0.00218506 0.01154604  221 TYR   A C    
1846 O  O    . TYR   A 109 ? 0.24887645 0.17633893 0.07626901 -0.00609638 -0.00364366 0.01272782  221 TYR   A O    
1847 C  CB   . TYR   A 109 ? 0.23874012 0.15555826 0.07128473 -0.01732380 -0.01217689 -0.00753695 221 TYR   A CB   
1848 C  CG   . TYR   A 109 ? 0.24080013 0.15884800 0.08148992 -0.01383283 0.00464256  0.00786916  221 TYR   A CG   
1849 C  CD1  . TYR   A 109 ? 0.24482197 0.14986821 0.07231130 -0.01049070 0.01427032  0.00563299  221 TYR   A CD1  
1850 C  CD2  . TYR   A 109 ? 0.25047043 0.15176296 0.08982314 -0.00724335 0.00944508  0.01116066  221 TYR   A CD2  
1851 C  CE1  . TYR   A 109 ? 0.24517149 0.14130329 0.07977543 0.00009771  0.00809391  0.00464386  221 TYR   A CE1  
1852 C  CE2  . TYR   A 109 ? 0.26187414 0.16935252 0.07898863 -0.00736551 0.01875882  0.00382740  221 TYR   A CE2  
1853 C  CZ   . TYR   A 109 ? 0.24503303 0.16183810 0.07649639 -0.00322264 0.01538851  0.00705902  221 TYR   A CZ   
1854 O  OH   . TYR   A 109 ? 0.25295803 0.16797446 0.10041013 -0.01023224 0.01856580  0.02681383  221 TYR   A OH   
1855 H  H    . TYR   A 109 ? 0.25631669 0.18923877 0.06110759 -0.00931289 -0.00039120 -0.00779547 221 TYR   A H    
1856 H  HA   . TYR   A 109 ? 0.24239700 0.16981432 0.06241243 -0.01377790 -0.00464795 -0.00059298 221 TYR   A HA   
1857 H  HB2  . TYR   A 109 ? 0.23965918 0.15522213 0.06945983 -0.01662068 -0.00774465 -0.00553123 221 TYR   A HB2  
1858 H  HB3  . TYR   A 109 ? 0.23993789 0.15823001 0.07133185 -0.01581143 -0.00706541 -0.00309861 221 TYR   A HB3  
1859 H  HD1  . TYR   A 109 ? 0.24391976 0.14939524 0.07385420 -0.00841989 0.01143341  0.00464457  221 TYR   A HD1  
1860 H  HD2  . TYR   A 109 ? 0.24958095 0.15483694 0.08532748 -0.00744002 0.01029134  0.00882699  221 TYR   A HD2  
1861 H  HE1  . TYR   A 109 ? 0.24401900 0.14449434 0.07758141 -0.00124094 0.01098615  0.00560918  221 TYR   A HE1  
1862 H  HE2  . TYR   A 109 ? 0.25496161 0.16286618 0.07940259 -0.00617150 0.01620063  0.00545106  221 TYR   A HE2  
1863 H  HH   . TYR   A 109 ? 0.17243597 0.17243597 0.17243597 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1864 N  N    . ASN   A 110 ? 0.24338879 0.19027376 0.08180085 -0.01752726 -0.00382768 0.01336101  222 ASN   A N    
1865 C  CA   . ASN   A 110 ? 0.27615863 0.19502869 0.08402409 -0.03594774 -0.00775761 0.00850948  222 ASN   A CA   
1866 C  C    . ASN   A 110 ? 0.26636705 0.15518852 0.07477144 -0.03387167 -0.01230446 0.00233400  222 ASN   A C    
1867 O  O    . ASN   A 110 ? 0.29233250 0.15099365 0.08176016 -0.02982395 -0.00902365 0.01126953  222 ASN   A O    
1868 C  CB   . ASN   A 110 ? 0.28929657 0.23128024 0.12547593 -0.04442401 -0.00971403 -0.00863830 222 ASN   A CB   
1869 C  CG   . ASN   A 110 ? 0.32324705 0.31695357 0.18911938 -0.04525946 0.01136201  0.01529822  222 ASN   A CG   
1870 O  OD1  . ASN   A 110 ? 0.38116974 0.41520345 0.33100161 -0.02451010 0.04527951  0.01202228  222 ASN   A OD1  
1871 N  ND2  . ASN   A 110 ? 0.33164304 0.36984253 0.19004421 -0.05731548 0.03924040  0.07467484  222 ASN   A ND2  
1872 H  H    . ASN   A 110 ? 0.24777231 0.18563372 0.07468849 -0.02041080 -0.00384648 0.01133260  222 ASN   A H    
1873 H  HA   . ASN   A 110 ? 0.27068987 0.19156007 0.08832289 -0.03366465 -0.00748391 0.00584224  222 ASN   A HA   
1874 H  HB2  . ASN   A 110 ? 0.29009509 0.23389709 0.12230706 -0.04320112 -0.00522671 -0.00157684 222 ASN   A HB2  
1875 H  HB3  . ASN   A 110 ? 0.29002190 0.22948369 0.12044483 -0.04324158 -0.00606480 -0.00347561 222 ASN   A HB3  
1876 H  HD21 . ASN   A 110 ? 0.33149594 0.34240693 0.18368764 -0.05598617 0.02886064  0.05379458  222 ASN   A HD21 
1877 H  HD22 . ASN   A 110 ? 0.32913181 0.34962264 0.18707217 -0.05419146 0.03130341  0.05592092  222 ASN   A HD22 
1878 N  N    . HIS   A 111 ? 0.26971644 0.15385599 0.05640583 -0.03576970 -0.00780444 0.00805614  223 HIS   A N    
1879 C  CA   . HIS   A 111 ? 0.26528579 0.17077376 0.04698747 -0.03838762 -0.01357961 0.00306446  223 HIS   A CA   
1880 C  C    . HIS   A 111 ? 0.29954416 0.18869641 0.04843545 -0.05164604 -0.02624181 0.00699325  223 HIS   A C    
1881 O  O    . HIS   A 111 ? 0.28476709 0.22207710 0.11037277 -0.08152665 -0.03233057 0.02866289  223 HIS   A O    
1882 C  CB   . HIS   A 111 ? 0.26592046 0.15064032 0.05450073 -0.04454327 -0.01087369 0.00669321  223 HIS   A CB   
1883 C  CG   . HIS   A 111 ? 0.26445675 0.13802218 0.06024288 -0.03640316 0.00297259  0.01464279  223 HIS   A CG   
1884 N  ND1  . HIS   A 111 ? 0.26459438 0.14076768 0.07243207 -0.02823507 0.00512495  0.01253295  223 HIS   A ND1  
1885 C  CD2  . HIS   A 111 ? 0.26801366 0.13567376 0.08096089 -0.03672275 0.00923463  0.01870283  223 HIS   A CD2  
1886 C  CE1  . HIS   A 111 ? 0.26080883 0.14713898 0.08267181 -0.02976537 -0.00277961 0.00795023  223 HIS   A CE1  
1887 N  NE2  . HIS   A 111 ? 0.26016444 0.15391736 0.07902361 -0.03219189 0.01622959  0.01586000  223 HIS   A NE2  
1888 H  H    . HIS   A 111 ? 0.26800185 0.15522461 0.05711405 -0.03627081 -0.00971806 0.00794181  223 HIS   A H    
1889 H  HA   . HIS   A 111 ? 0.27215648 0.16680932 0.05097675 -0.04055768 -0.01401064 0.00533251  223 HIS   A HA   
1890 H  HB2  . HIS   A 111 ? 0.26472545 0.15167947 0.05455954 -0.04233916 -0.00830845 0.00795890  223 HIS   A HB2  
1891 H  HB3  . HIS   A 111 ? 0.26563737 0.15226278 0.05551215 -0.04164563 -0.00884899 0.00788810  223 HIS   A HB3  
1892 H  HD1  . HIS   A 111 ? 0.15856765 0.15856765 0.15856765 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1893 H  HD2  . HIS   A 111 ? 0.26515681 0.13877571 0.07560243 -0.03685083 0.00912169  0.01703551  223 HIS   A HD2  
1894 H  HE1  . HIS   A 111 ? 0.26009265 0.14661023 0.07917849 -0.03084726 0.00260831  0.01047149  223 HIS   A HE1  
1895 H  HE2  . HIS   A 111 ? 0.16476090 0.16476090 0.16476090 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1896 N  N    . ARG   A 112 ? 0.28579938 0.15385912 0.07431305 -0.03389807 -0.02262323 0.00563152  224 ARG   A N    
1897 C  CA   . ARG   A 112 ? 0.26878658 0.16549566 0.08347742 -0.03114464 -0.03122504 -0.00709172 224 ARG   A CA   
1898 C  C    . ARG   A 112 ? 0.28747332 0.17020404 0.11536971 -0.02201558 -0.01779850 0.00372605  224 ARG   A C    
1899 O  O    . ARG   A 112 ? 0.31328577 0.18089509 0.10007066 -0.01399969 -0.01330753 -0.02080155 224 ARG   A O    
1900 C  CB   . ARG   A 112 ? 0.25439921 0.17012353 0.07549468 -0.02923512 -0.00694761 0.00523451  224 ARG   A CB   
1901 C  CG   . ARG   A 112 ? 0.25562388 0.17885008 0.08690634 -0.01920418 -0.00239323 0.01611616  224 ARG   A CG   
1902 C  CD   . ARG   A 112 ? 0.24782053 0.18010494 0.07377540 -0.00501890 0.01521573  0.01144952  224 ARG   A CD   
1903 N  NE   . ARG   A 112 ? 0.25958166 0.18120477 0.08011554 0.00494439  0.01298729  0.01201939  224 ARG   A NE   
1904 C  CZ   . ARG   A 112 ? 0.24844152 0.17726089 0.11304021 -0.00317186 0.00754606  0.00737045  224 ARG   A CZ   
1905 N  NH1  . ARG   A 112 ? 0.25183061 0.20054616 0.13456413 -0.01687962 -0.01409885 0.02177846  224 ARG   A NH1  
1906 N  NH2  . ARG   A 112 ? 0.28223848 0.18614013 0.11903863 0.00167352  0.01763483  0.00973393  224 ARG   A NH2  
1907 H  H    . ARG   A 112 ? 0.28507894 0.16474864 0.07028214 -0.03680839 -0.02469267 0.00332473  224 ARG   A H    
1908 H  HA   . ARG   A 112 ? 0.27125624 0.16495109 0.08483437 -0.03059820 -0.02302017 -0.00053992 224 ARG   A HA   
1909 H  HB2  . ARG   A 112 ? 0.25611416 0.17038231 0.07952590 -0.02826754 -0.01106698 0.00499851  224 ARG   A HB2  
1910 H  HB3  . ARG   A 112 ? 0.25752836 0.17069390 0.07942946 -0.02752132 -0.01108407 0.00500567  224 ARG   A HB3  
1911 H  HG2  . ARG   A 112 ? 0.25433591 0.17715974 0.08159923 -0.01804094 0.00052002  0.01260416  224 ARG   A HG2  
1912 H  HG3  . ARG   A 112 ? 0.25435904 0.17691445 0.08216354 -0.01834429 0.00092627  0.01262171  224 ARG   A HG3  
1913 H  HD2  . ARG   A 112 ? 0.25002396 0.17955209 0.07810447 -0.00697719 0.01153480  0.01317821  224 ARG   A HD2  
1914 H  HD3  . ARG   A 112 ? 0.25161773 0.18007278 0.07831418 -0.00603762 0.01102769  0.01272725  224 ARG   A HD3  
1915 H  HE   . ARG   A 112 ? 0.25455889 0.17915079 0.08366818 0.00040782  0.01281401  0.01244772  224 ARG   A HE   
1916 H  HH11 . ARG   A 112 ? 0.25124285 0.19738981 0.12875366 -0.01230509 -0.00699448 0.01801875  224 ARG   A HH11 
1917 H  HH12 . ARG   A 112 ? 0.25104460 0.19564131 0.13272591 -0.01268643 -0.00732582 0.02072612  224 ARG   A HH12 
1918 H  HH21 . ARG   A 112 ? 0.27062038 0.18501768 0.11734468 -0.00023228 0.01412173  0.00901845  224 ARG   A HH21 
1919 H  HH22 . ARG   A 112 ? 0.27069554 0.18411151 0.11734428 0.00004688  0.01425862  0.00846670  224 ARG   A HH22 
1920 N  N    . VAL   A 113 ? 0.28755149 0.16829063 0.06582031 -0.04541164 0.00011492  -0.00131630 225 VAL   A N    
1921 C  CA   . VAL   A 113 ? 0.30219740 0.18316779 0.06157196 -0.02810604 0.00025590  0.00992859  225 VAL   A CA   
1922 C  C    . VAL   A 113 ? 0.32772854 0.18399510 0.06506823 -0.04006784 -0.00851030 0.00639310  225 VAL   A C    
1923 O  O    . VAL   A 113 ? 0.35498706 0.19777192 0.05169526 -0.02956581 -0.02005000 -0.01596808 225 VAL   A O    
1924 C  CB   . VAL   A 113 ? 0.30352566 0.18235546 0.06552991 -0.02581521 0.00060641  0.00664882  225 VAL   A CB   
1925 C  CG1  . VAL   A 113 ? 0.30272150 0.15873419 0.08186867 -0.01787392 -0.00153656 0.00094756  225 VAL   A CG1  
1926 C  CG2  . VAL   A 113 ? 0.30748546 0.16608834 0.08773720 -0.02070090 0.00008401  0.00087146  225 VAL   A CG2  
1927 H  H    . VAL   A 113 ? 0.28902343 0.16787617 0.07159119 -0.03868438 -0.00632166 -0.00136688 225 VAL   A H    
1928 H  HA   . VAL   A 113 ? 0.30383092 0.18004879 0.06426330 -0.03302526 -0.00135017 0.00641817  225 VAL   A HA   
1929 H  HB   . VAL   A 113 ? 0.30337572 0.17513114 0.06893163 -0.02425451 -0.00102240 0.00450569  225 VAL   A HB   
1930 H  HG11 . VAL   A 113 ? 0.30315796 0.16529259 0.07864126 -0.01981321 -0.00043511 0.00321752  225 VAL   A HG11 
1931 H  HG12 . VAL   A 113 ? 0.30300987 0.16434853 0.07707819 -0.01978145 -0.00107964 0.00347833  225 VAL   A HG12 
1932 H  HG13 . VAL   A 113 ? 0.30304697 0.16520792 0.07752812 -0.01991109 -0.00089099 0.00285597  225 VAL   A HG13 
1933 H  HG21 . VAL   A 113 ? 0.30622450 0.17045294 0.08189745 -0.02156321 0.00052854  0.00244548  225 VAL   A HG21 
1934 H  HG22 . VAL   A 113 ? 0.30609101 0.17050728 0.08173709 -0.02185910 0.00073470  0.00242903  225 VAL   A HG22 
1935 H  HG23 . VAL   A 113 ? 0.30681753 0.17076412 0.08407277 -0.02171215 0.00159249  0.00303167  225 VAL   A HG23 
1936 N  N    . LYS   A 114 ? 0.33564019 0.17926253 0.09224083 -0.03819835 0.00226077  0.00267939  226 LYS   A N    
1937 C  CA   . LYS   A 114 ? 0.32151645 0.18524511 0.11617360 -0.03917140 0.01226649  0.01129186  226 LYS   A CA   
1938 C  C    . LYS   A 114 ? 0.30442366 0.16916405 0.13765375 -0.04474243 0.00245997  0.02833189  226 LYS   A C    
1939 O  O    . LYS   A 114 ? 0.34768939 0.16283540 0.21218261 -0.01332359 0.06122407  0.06387665  226 LYS   A O    
1940 C  CB   . LYS   A 114 ? 0.32523349 0.21778996 0.18174690 -0.04981115 -0.01958344 0.01196080  226 LYS   A CB   
1941 C  CG   . LYS   A 114 ? 0.34178889 0.28127235 0.17340165 -0.05579158 -0.05524788 0.00926437  226 LYS   A CG   
1942 C  CD   . LYS   A 114 ? 0.36710894 0.28954190 0.18506883 -0.06457204 -0.05715750 0.01651118  226 LYS   A CD   
1943 C  CE   . LYS   A 114 ? 0.33766627 0.30060765 0.11220749 -0.08389714 -0.04879469 0.02598846  226 LYS   A CE   
1944 N  NZ   . LYS   A 114 ? 0.34789902 0.37983531 0.12845610 -0.11723720 -0.03301379 0.01156951  226 LYS   A NZ   
1945 H  H    . LYS   A 114 ? 0.33042857 0.18275866 0.09315571 -0.03912803 0.00161300  0.00526355  226 LYS   A H    
1946 H  HA   . LYS   A 114 ? 0.32174179 0.18600419 0.11577885 -0.04145413 0.00503963  0.01217799  226 LYS   A HA   
1947 H  HB2  . LYS   A 114 ? 0.32832611 0.22245133 0.17222710 -0.04897848 -0.02119746 0.01362623  226 LYS   A HB2  
1948 H  HB3  . LYS   A 114 ? 0.32779807 0.22243601 0.16533782 -0.04839194 -0.01911365 0.01159082  226 LYS   A HB3  
1949 H  HG2  . LYS   A 114 ? 0.34290278 0.27124789 0.17883959 -0.05548864 -0.04693558 0.00790531  226 LYS   A HG2  
1950 H  HG3  . LYS   A 114 ? 0.34255147 0.26846063 0.17739217 -0.05667615 -0.04744653 0.01055125  226 LYS   A HG3  
1951 H  HD2  . LYS   A 114 ? 0.35407645 0.29497182 0.16561364 -0.06760847 -0.05398617 0.01486275  226 LYS   A HD2  
1952 H  HD3  . LYS   A 114 ? 0.35516289 0.29368562 0.16427034 -0.06549388 -0.05316433 0.01800585  226 LYS   A HD3  
1953 H  HE2  . LYS   A 114 ? 0.34519240 0.30552280 0.12545615 -0.08628602 -0.04793262 0.02694315  226 LYS   A HE2  
1954 H  HE3  . LYS   A 114 ? 0.34375608 0.31011251 0.12839811 -0.08872964 -0.04839946 0.02087294  226 LYS   A HE3  
1955 H  HZ1  . LYS   A 114 ? 0.34702981 0.35681248 0.12543178 -0.10481855 -0.03745161 0.01573075  226 LYS   A HZ1  
1956 H  HZ2  . LYS   A 114 ? 0.34614336 0.36285242 0.12870672 -0.10651903 -0.03760975 0.00987988  226 LYS   A HZ2  
1957 H  HZ3  . LYS   A 114 ? 0.34911621 0.35648701 0.12462561 -0.10743766 -0.03791656 0.01503441  226 LYS   A HZ3  
1958 N  N    . LYS   A 115 ? 0.30125192 0.17866218 0.14414613 -0.05189515 -0.00046369 0.01506106  227 LYS   A N    
1959 C  CA   . LYS   A 115 ? 0.30380696 0.17652723 0.15160243 -0.05705529 0.02035075  -0.00435636 227 LYS   A CA   
1960 C  C    . LYS   A 115 ? 0.28928700 0.15718232 0.10730311 -0.04636608 0.02089011  -0.01628266 227 LYS   A C    
1961 O  O    . LYS   A 115 ? 0.31332907 0.14563781 0.10124798 -0.02977112 0.02898572  0.00578714  227 LYS   A O    
1962 C  CB   . LYS   A 115 ? 0.34814450 0.26890126 0.13815181 -0.06708221 -0.00621631 -0.02726263 227 LYS   A CB   
1963 C  CG   . LYS   A 115 ? 0.39900824 0.29164410 0.20968224 -0.08958600 -0.01787852 -0.02527506 227 LYS   A CG   
1964 C  CD   . LYS   A 115 ? 0.43363357 0.36152163 0.22902812 -0.10172790 0.00533763  -0.02180610 227 LYS   A CD   
1965 C  CE   . LYS   A 115 ? 0.47340351 0.40178090 0.25115865 -0.13687313 -0.01053318 -0.01065382 227 LYS   A CE   
1966 N  NZ   . LYS   A 115 ? 0.50968421 0.45441648 0.26370054 -0.14161125 0.01652025  0.01085297  227 LYS   A NZ   
1967 H  H    . LYS   A 115 ? 0.30348071 0.17651929 0.14303866 -0.05108428 0.00440201  0.01385216  227 LYS   A H    
1968 H  HA   . LYS   A 115 ? 0.30735075 0.17970879 0.13927756 -0.05638573 0.01270612  -0.00508660 227 LYS   A HA   
1969 H  HB2  . LYS   A 115 ? 0.34554493 0.25796059 0.15481803 -0.06965753 -0.00101864 -0.02320090 227 LYS   A HB2  
1970 H  HB3  . LYS   A 115 ? 0.34637213 0.24928647 0.15373385 -0.06870901 -0.00112718 -0.02106478 227 LYS   A HB3  
1971 H  HG2  . LYS   A 115 ? 0.39100122 0.29530528 0.19271706 -0.08597840 -0.01035985 -0.02453610 227 LYS   A HG2  
1972 H  HG3  . LYS   A 115 ? 0.39521945 0.29799902 0.19353482 -0.08722150 -0.01088941 -0.02480908 227 LYS   A HG3  
1973 H  HD2  . LYS   A 115 ? 0.43200809 0.35479712 0.22763152 -0.10633676 -0.00325440 -0.02208047 227 LYS   A HD2  
1974 H  HD3  . LYS   A 115 ? 0.43096465 0.34962034 0.22777718 -0.10512504 -0.00302051 -0.02136494 227 LYS   A HD3  
1975 H  HE2  . LYS   A 115 ? 0.47127342 0.40354306 0.24803969 -0.13010070 -0.00140975 -0.00901068 227 LYS   A HE2  
1976 H  HE3  . LYS   A 115 ? 0.47354984 0.40021574 0.24813166 -0.12867738 -0.00328739 -0.00921325 227 LYS   A HE3  
1977 H  HZ1  . LYS   A 115 ? 0.49998283 0.43911231 0.26047814 -0.13933228 0.00813806  0.00499437  227 LYS   A HZ1  
1978 H  HZ2  . LYS   A 115 ? 0.49993563 0.44341999 0.26021591 -0.14166716 0.00878204  0.00479515  227 LYS   A HZ2  
1979 H  HZ3  . LYS   A 115 ? 0.50214797 0.44422784 0.26296499 -0.13557096 0.01162243  0.00877225  227 LYS   A HZ3  
1980 N  N    . LEU   A 116 ? 0.29807991 0.15395485 0.11611013 -0.04337319 0.04348088  -0.01615913 228 LEU   A N    
1981 C  CA   . LEU   A 116 ? 0.28440982 0.14226614 0.11675730 -0.03321973 0.04172759  -0.00632609 228 LEU   A CA   
1982 C  C    . LEU   A 116 ? 0.29721245 0.12962390 0.13620029 -0.01857958 0.03561564  0.01896650  228 LEU   A C    
1983 O  O    . LEU   A 116 ? 0.27626702 0.15789795 0.10760254 -0.01291781 0.04499912  0.01033061  228 LEU   A O    
1984 C  CB   . LEU   A 116 ? 0.29581147 0.14863017 0.08322550 -0.02163421 0.04893139  -0.03881113 228 LEU   A CB   
1985 C  CG   . LEU   A 116 ? 0.28157750 0.19699335 0.10208932 -0.02570370 0.03456125  -0.00950296 228 LEU   A CG   
1986 C  CD1  . LEU   A 116 ? 0.28414240 0.23240089 0.09032460 -0.02756140 0.03874657  -0.00891427 228 LEU   A CD1  
1987 C  CD2  . LEU   A 116 ? 0.29195651 0.19754308 0.12925428 -0.02580286 0.05772949  -0.00776922 228 LEU   A CD2  
1988 H  H    . LEU   A 116 ? 0.29310855 0.15303697 0.11425022 -0.04171855 0.03754834  -0.01373906 228 LEU   A H    
1989 H  HA   . LEU   A 116 ? 0.29097483 0.14365181 0.11323230 -0.02993101 0.04228434  -0.00959106 228 LEU   A HA   
1990 H  HB2  . LEU   A 116 ? 0.29020092 0.15072915 0.09385218 -0.02389437 0.04422512  -0.02583328 228 LEU   A HB2  
1991 H  HB3  . LEU   A 116 ? 0.28965870 0.15582347 0.09361782 -0.02514483 0.04334930  -0.02566480 228 LEU   A HB3  
1992 H  HG   . LEU   A 116 ? 0.28560346 0.19175486 0.09978430 -0.02603282 0.04114089  -0.01541689 228 LEU   A HG   
1993 H  HD11 . LEU   A 116 ? 0.28369889 0.22636044 0.09398756 -0.02790279 0.03763406  -0.00871856 228 LEU   A HD11 
1994 H  HD12 . LEU   A 116 ? 0.28321111 0.22261143 0.09387886 -0.02708604 0.03781183  -0.00904216 228 LEU   A HD12 
1995 H  HD13 . LEU   A 116 ? 0.28402102 0.22197901 0.09414064 -0.02686203 0.03806898  -0.00905347 228 LEU   A HD13 
1996 H  HD21 . LEU   A 116 ? 0.28904954 0.19753221 0.12528808 -0.02552328 0.05131657  -0.01008070 228 LEU   A HD21 
1997 H  HD22 . LEU   A 116 ? 0.29092863 0.19814637 0.12252373 -0.02415971 0.05257406  -0.00775255 228 LEU   A HD22 
1998 H  HD23 . LEU   A 116 ? 0.28858176 0.19753073 0.12155171 -0.02531201 0.05145039  -0.00857816 228 LEU   A HD23 
1999 N  N    . ASN   A 117 ? 0.33243164 0.11707835 0.18299812 -0.00833754 0.06238044  0.02778099  229 ASN   A N    
2000 C  CA   . ASN   A 117 ? 0.35269886 0.13426057 0.19934872 0.00661014  0.06810726  0.00799300  229 ASN   A CA   
2001 C  C    . ASN   A 117 ? 0.33689678 0.13034712 0.19920571 0.00907606  0.06548820  0.00906817  229 ASN   A C    
2002 O  O    . ASN   A 117 ? 0.37239489 0.15867180 0.24217090 0.02887674  0.09409702  0.03637530  229 ASN   A O    
2003 C  CB   . ASN   A 117 ? 0.41318843 0.12904862 0.28625366 0.02063921  0.07681461  0.01875935  229 ASN   A CB   
2004 C  CG   . ASN   A 117 ? 0.52746469 0.13117638 0.33472094 -0.00776795 0.06069589  -0.03937732 229 ASN   A CG   
2005 O  OD1  . ASN   A 117 ? 0.64063042 0.15314782 0.32773986 -0.03489321 0.02716081  -0.08688065 229 ASN   A OD1  
2006 N  ND2  . ASN   A 117 ? 0.63370425 0.14795698 0.44275528 -0.03422647 0.07223746  -0.07337787 229 ASN   A ND2  
2007 H  H    . ASN   A 117 ? 0.32764804 0.12561642 0.17188624 -0.00706088 0.05704585  0.02120805  229 ASN   A H    
2008 H  HA   . ASN   A 117 ? 0.35072559 0.12999374 0.20453538 0.00601464  0.06666332  0.01419930  229 ASN   A HA   
2009 H  HB2  . ASN   A 117 ? 0.41309634 0.13092455 0.26921776 0.01263098  0.07234584  0.00555160  229 ASN   A HB2  
2010 H  HB3  . ASN   A 117 ? 0.41526523 0.13088438 0.26929283 0.01203863  0.07188382  0.00557207  229 ASN   A HB3  
2011 H  HD21 . ASN   A 117 ? 0.60373247 0.14971612 0.41057017 -0.03170966 0.07679266  -0.06634510 229 ASN   A HD21 
2012 H  HD22 . ASN   A 117 ? 0.60180360 0.14579593 0.41280767 -0.02388022 0.07555133  -0.05906285 229 ASN   A HD22 
2013 N  N    . GLU   A 118 ? 0.32529038 0.11543432 0.12867373 0.00937029  0.06148690  -0.00121582 230 GLU   A N    
2014 C  CA   . GLU   A 118 ? 0.30231133 0.12607390 0.09988241 -0.00596413 0.03582790  -0.00508622 230 GLU   A CA   
2015 C  C    . GLU   A 118 ? 0.29800445 0.13277365 0.08328961 -0.00462841 0.03857076  -0.00778151 230 GLU   A C    
2016 O  O    . GLU   A 118 ? 0.27173218 0.14296815 0.05535525 -0.00067172 0.01310528  0.00757640  230 GLU   A O    
2017 C  CB   . GLU   A 118 ? 0.32611024 0.14926006 0.14403640 -0.02227916 0.01899564  -0.02705173 230 GLU   A CB   
2018 C  CG   . GLU   A 118 ? 0.36540404 0.14719793 0.14948715 -0.03032780 0.03820134  -0.02995504 230 GLU   A CG   
2019 C  CD   . GLU   A 118 ? 0.36215001 0.15767989 0.16948512 -0.04585797 0.02375959  -0.05578254 230 GLU   A CD   
2020 O  OE1  . GLU   A 118 ? 0.38646653 0.21666272 0.17673272 -0.04114996 0.03231260  -0.06337619 230 GLU   A OE1  
2021 O  OE2  . GLU   A 118 ? 0.40343568 0.19459710 0.25037232 -0.08016614 0.02596057  -0.09362498 230 GLU   A OE2  
2022 H  H    . GLU   A 118 ? 0.31953007 0.12073097 0.13229088 0.00510677  0.05602462  0.00036458  230 GLU   A H    
2023 H  HA   . GLU   A 118 ? 0.30786866 0.12948845 0.10887228 -0.00498162 0.03920271  -0.00841410 230 GLU   A HA   
2024 H  HB2  . GLU   A 118 ? 0.32942820 0.14427483 0.13465048 -0.01975385 0.02605914  -0.02276643 230 GLU   A HB2  
2025 H  HB3  . GLU   A 118 ? 0.32766849 0.14873269 0.13605914 -0.01820519 0.02550718  -0.02603468 230 GLU   A HB3  
2026 H  HG2  . GLU   A 118 ? 0.35694981 0.14941157 0.15215530 -0.03224717 0.03048718  -0.03398890 230 GLU   A HG2  
2027 H  HG3  . GLU   A 118 ? 0.35514587 0.14701413 0.15078990 -0.03314364 0.03166072  -0.03229704 230 GLU   A HG3  
2028 N  N    . ILE   A 119 ? 0.28143579 0.09609216 0.06620695 -0.00922479 0.03178308  0.00906113  231 ILE   A N    
2029 C  CA   . ILE   A 119 ? 0.26362211 0.11478942 0.09458597 0.00659636  0.02266163  -0.01459933 231 ILE   A CA   
2030 C  C    . ILE   A 119 ? 0.26395732 0.12598814 0.07758424 0.01702107  0.00963504  -0.00410134 231 ILE   A C    
2031 O  O    . ILE   A 119 ? 0.30693558 0.16656464 0.07061667 0.04013192  -0.00244134 -0.00297430 231 ILE   A O    
2032 C  CB   . ILE   A 119 ? 0.26981094 0.10998338 0.10463687 0.01420347  0.02619646  -0.00852267 231 ILE   A CB   
2033 C  CG1  . ILE   A 119 ? 0.26742375 0.10756636 0.10457195 0.00094088  0.03031082  -0.00874496 231 ILE   A CG1  
2034 C  CG2  . ILE   A 119 ? 0.26377997 0.13540447 0.08026576 0.02204923  0.00309891  -0.01915951 231 ILE   A CG2  
2035 C  CD1  . ILE   A 119 ? 0.28230941 0.13488346 0.10123068 0.00580153  0.02317904  -0.01484617 231 ILE   A CD1  
2036 H  H    . ILE   A 119 ? 0.28004435 0.09749307 0.07146563 -0.00842336 0.03430793  0.00773634  231 ILE   A H    
2037 H  HA   . ILE   A 119 ? 0.26867270 0.11655210 0.09073919 0.00545054  0.02353175  -0.01054869 231 ILE   A HA   
2038 H  HB   . ILE   A 119 ? 0.26719537 0.11452983 0.09729429 0.01223422  0.02178947  -0.01072505 231 ILE   A HB   
2039 H  HG12 . ILE   A 119 ? 0.27087021 0.11227360 0.10314524 0.00509207  0.02770202  -0.00937176 231 ILE   A HG12 
2040 H  HG13 . ILE   A 119 ? 0.27097434 0.11148345 0.10288614 0.00462224  0.02781140  -0.01086386 231 ILE   A HG13 
2041 H  HG21 . ILE   A 119 ? 0.26530921 0.12902635 0.08744241 0.01953721  0.00909970  -0.01619776 231 ILE   A HG21 
2042 H  HG22 . ILE   A 119 ? 0.26503316 0.12957753 0.08741281 0.01959701  0.00946051  -0.01684999 231 ILE   A HG22 
2043 H  HG23 . ILE   A 119 ? 0.26349047 0.12904961 0.08663760 0.01969813  0.00868654  -0.01625997 231 ILE   A HG23 
2044 H  HD11 . ILE   A 119 ? 0.27820623 0.12902497 0.10369042 0.00369253  0.02590489  -0.01410976 231 ILE   A HD11 
2045 H  HD12 . ILE   A 119 ? 0.27860415 0.12760788 0.10279512 0.00437279  0.02570895  -0.01296132 231 ILE   A HD12 
2046 H  HD13 . ILE   A 119 ? 0.27787820 0.12954874 0.10312196 0.00450229  0.02530191  -0.01196234 231 ILE   A HD13 
2047 N  N    . SER   A 120 ? 0.26375532 0.11133972 0.09370268 0.00259251  0.00473253  0.00333258  232 SER   A N    
2048 C  CA   . SER   A 120 ? 0.26094547 0.13946193 0.07098611 0.00992397  0.00080525  -0.00366392 232 SER   A CA   
2049 C  C    . SER   A 120 ? 0.25677246 0.14232573 0.09432314 0.01870150  -0.00208878 -0.00786076 232 SER   A C    
2050 O  O    . SER   A 120 ? 0.25782377 0.14946695 0.09939163 0.01935117  0.00747008  -0.03775726 232 SER   A O    
2051 C  CB   . SER   A 120 ? 0.28000349 0.13039906 0.11975372 0.01573926  0.00697960  -0.02397168 232 SER   A CB   
2052 O  OG   . SER   A 120 ? 0.31986862 0.13902065 0.17642641 0.02471539  -0.00755956 -0.02798003 232 SER   A OG   
2053 H  H    . SER   A 120 ? 0.26324400 0.12100083 0.08577448 0.00737512  0.00551313  -0.00048989 232 SER   A H    
2054 H  HA   . SER   A 120 ? 0.26408809 0.13082021 0.08306038 0.01215854  0.00115236  -0.00320031 232 SER   A HA   
2055 H  HB2  . SER   A 120 ? 0.28202417 0.13547310 0.11896904 0.01587534  0.00293418  -0.02128988 232 SER   A HB2  
2056 H  HB3  . SER   A 120 ? 0.28158200 0.13449503 0.11734337 0.01612752  0.00274133  -0.02010127 232 SER   A HB3  
2057 H  HG   . SER   A 120 ? 0.21126732 0.21126732 0.21126732 0.00000000  0.00000000  0.00000000  232 SER   A HG   
2058 N  N    . LYS   A 121 ? 0.24537084 0.13708098 0.07854927 0.01513250  0.00583276  -0.01682177 233 LYS   A N    
2059 C  CA   . LYS   A 121 ? 0.26698488 0.13630651 0.10676358 0.00620244  0.00679955  -0.03179954 233 LYS   A CA   
2060 C  C    . LYS   A 121 ? 0.23804225 0.13214308 0.10686199 0.00573601  -0.00764125 -0.03874132 233 LYS   A C    
2061 O  O    . LYS   A 121 ? 0.23613888 0.13768592 0.09712803 0.01015682  -0.02426834 -0.04033806 233 LYS   A O    
2062 C  CB   . LYS   A 121 ? 0.30161229 0.17753448 0.11386022 -0.01294049 -0.00157165 -0.03331374 233 LYS   A CB   
2063 C  CG   . LYS   A 121 ? 0.34279951 0.24264604 0.17444418 -0.01124672 0.01445911  -0.02817723 233 LYS   A CG   
2064 C  CD   . LYS   A 121 ? 0.43613809 0.33315527 0.17801277 -0.00537216 0.00127209  0.00150812  233 LYS   A CD   
2065 C  CE   . LYS   A 121 ? 0.52275437 0.44106153 0.23162922 -0.00999831 0.01745954  -0.04150042 233 LYS   A CE   
2066 N  NZ   . LYS   A 121 ? 0.61778140 0.49331915 0.28258091 -0.01931185 -0.00827535 -0.06666509 233 LYS   A NZ   
2067 H  H    . LYS   A 121 ? 0.24943364 0.13769509 0.08774453 0.01409411  0.00414349  -0.01754489 233 LYS   A H    
2068 H  HA   . LYS   A 121 ? 0.26336884 0.14187063 0.10268309 0.00455410  0.00364768  -0.03075161 233 LYS   A HA   
2069 H  HB2  . LYS   A 121 ? 0.29795018 0.17490056 0.12070568 -0.00800619 0.00336313  -0.03236546 233 LYS   A HB2  
2070 H  HB3  . LYS   A 121 ? 0.29753166 0.17324410 0.12056282 -0.00887006 0.00255985  -0.03325064 233 LYS   A HB3  
2071 H  HG2  . LYS   A 121 ? 0.34552583 0.23458557 0.15605381 -0.01166729 0.00990072  -0.02483510 233 LYS   A HG2  
2072 H  HG3  . LYS   A 121 ? 0.34337059 0.23662953 0.15591629 -0.00871474 0.00930766  -0.02266389 233 LYS   A HG3  
2073 H  HD2  . LYS   A 121 ? 0.42228377 0.32357505 0.18571401 -0.00763271 0.00847955  -0.01441307 233 LYS   A HD2  
2074 H  HD3  . LYS   A 121 ? 0.42448229 0.32549945 0.18656944 -0.00393433 0.01009063  -0.01189480 233 LYS   A HD3  
2075 H  HE2  . LYS   A 121 ? 0.51686794 0.42227495 0.22624139 -0.00855304 0.00667019  -0.03678070 233 LYS   A HE2  
2076 H  HE3  . LYS   A 121 ? 0.51565236 0.42505270 0.22545455 -0.01483987 0.00961659  -0.03730822 233 LYS   A HE3  
2077 H  HZ1  . LYS   A 121 ? 0.58928090 0.48475438 0.26839536 -0.02043061 0.00016677  -0.06089811 233 LYS   A HZ1  
2078 H  HZ2  . LYS   A 121 ? 0.59315908 0.48416460 0.27028951 -0.01176142 -0.00462300 -0.06193443 233 LYS   A HZ2  
2079 H  HZ3  . LYS   A 121 ? 0.59021497 0.48165795 0.27502236 -0.01858498 -0.00503369 -0.05490843 233 LYS   A HZ3  
2080 N  N    . LEU   A 122 ? 0.21282914 0.13999993 0.11749829 0.01942009  -0.01083847 -0.04164922 234 LEU   A N    
2081 C  CA   . LEU   A 122 ? 0.23974761 0.16797450 0.07031686 0.00355090  -0.00143759 -0.04155279 234 LEU   A CA   
2082 C  C    . LEU   A 122 ? 0.23389052 0.15942448 0.09787674 0.00948770  0.00065936  -0.04479710 234 LEU   A C    
2083 O  O    . LEU   A 122 ? 0.23703997 0.16185166 0.19673708 -0.00510750 -0.00106493 -0.01940705 234 LEU   A O    
2084 C  CB   . LEU   A 122 ? 0.26533484 0.18345201 0.06671693 0.00067890  0.00526078  -0.04413503 234 LEU   A CB   
2085 C  CG   . LEU   A 122 ? 0.29926530 0.20049506 0.04882650 -0.00982239 0.00716391  -0.04720009 234 LEU   A CG   
2086 C  CD1  . LEU   A 122 ? 0.30869135 0.19239832 0.06344083 -0.00617844 0.02000980  -0.04937411 234 LEU   A CD1  
2087 C  CD2  . LEU   A 122 ? 0.32148972 0.24238953 0.05601540 -0.00144866 -0.01364197 -0.04460161 234 LEU   A CD2  
2088 H  H    . LEU   A 122 ? 0.21786621 0.14362857 0.10482872 0.01476399  -0.00860903 -0.04062253 234 LEU   A H    
2089 H  HA   . LEU   A 122 ? 0.23874095 0.16327913 0.08406227 0.00686018  -0.00164111 -0.04243198 234 LEU   A HA   
2090 H  HB2  . LEU   A 122 ? 0.26614359 0.18321937 0.06444506 -0.00031690 0.00389177  -0.04409172 234 LEU   A HB2  
2091 H  HB3  . LEU   A 122 ? 0.26569083 0.18316123 0.06461418 -0.00046791 0.00385938  -0.04428624 234 LEU   A HB3  
2092 H  HG   . LEU   A 122 ? 0.29658505 0.20074180 0.05621665 -0.00663652 0.00585161  -0.04638604 234 LEU   A HG   
2093 H  HD11 . LEU   A 122 ? 0.30482596 0.19493060 0.06162221 -0.00715809 0.01635533  -0.04990233 234 LEU   A HD11 
2094 H  HD12 . LEU   A 122 ? 0.30519697 0.19444411 0.05962135 -0.00699016 0.01628569  -0.04920597 234 LEU   A HD12 
2095 H  HD13 . LEU   A 122 ? 0.30561519 0.19491096 0.05963599 -0.00707139 0.01628042  -0.04906938 234 LEU   A HD13 
2096 H  HD21 . LEU   A 122 ? 0.31648275 0.23077612 0.05464223 -0.00404886 -0.00736003 -0.04470773 234 LEU   A HD21 
2097 H  HD22 . LEU   A 122 ? 0.31683338 0.23389678 0.05470990 -0.00147943 -0.00788176 -0.04522189 234 LEU   A HD22 
2098 H  HD23 . LEU   A 122 ? 0.31557626 0.23336567 0.05736259 -0.00477897 -0.00837905 -0.04188474 234 LEU   A HD23 
2099 N  N    . GLY   A 123 ? 0.23150575 0.15716504 0.10146703 0.00239272  -0.00759786 -0.03284571 235 GLY   A N    
2100 C  CA   . GLY   A 123 ? 0.23373127 0.14666568 0.08372490 -0.00519249 -0.00577947 -0.02872357 235 GLY   A CA   
2101 C  C    . GLY   A 123 ? 0.22201507 0.14439213 0.10425994 -0.01258413 -0.00131103 -0.04068345 235 GLY   A C    
2102 O  O    . GLY   A 123 ? 0.21984871 0.15781289 0.15940410 0.00124305  0.01570555  -0.06933720 235 GLY   A O    
2103 H  H    . GLY   A 123 ? 0.23199433 0.15534192 0.09613239 0.00217430  -0.00549597 -0.03474981 235 GLY   A H    
2104 H  HA2  . GLY   A 123 ? 0.23169735 0.14852183 0.09251010 -0.00502467 -0.00530365 -0.03208894 235 GLY   A HA2  
2105 H  HA3  . GLY   A 123 ? 0.23003125 0.14736076 0.08962621 -0.00412714 -0.00667185 -0.03056288 235 GLY   A HA3  
2106 N  N    . ILE   A 124 ? 0.22930075 0.15796952 0.10423154 -0.02038680 0.01472919  -0.04104558 236 ILE   A N    
2107 C  CA   . ILE   A 124 ? 0.22658101 0.17562141 0.12184714 -0.01370730 0.00359293  -0.06107207 236 ILE   A CA   
2108 C  C    . ILE   A 124 ? 0.22894299 0.18104672 0.14558166 -0.01092441 0.00862806  -0.04636640 236 ILE   A C    
2109 O  O    . ILE   A 124 ? 0.23102739 0.17523317 0.19783646 -0.00821164 0.03901003  -0.05663538 236 ILE   A O    
2110 C  CB   . ILE   A 124 ? 0.23286530 0.18317084 0.14751723 -0.00447681 -0.00057842 -0.05816589 236 ILE   A CB   
2111 C  CG1  . ILE   A 124 ? 0.26966977 0.15672350 0.18754902 0.01598418  -0.00381402 -0.04621892 236 ILE   A CG1  
2112 C  CG2  . ILE   A 124 ? 0.25476810 0.19088769 0.14004585 -0.02302669 -0.00667179 -0.05215707 236 ILE   A CG2  
2113 C  CD1  . ILE   A 124 ? 0.31119099 0.19882138 0.19563913 0.00622729  -0.00736369 -0.03017120 236 ILE   A CD1  
2114 H  H    . ILE   A 124 ? 0.22515333 0.15812987 0.10721572 -0.01689867 0.00938059  -0.04480882 236 ILE   A H    
2115 H  HA   . ILE   A 124 ? 0.22823864 0.17337561 0.12657717 -0.01306850 0.00609728  -0.05390868 236 ILE   A HA   
2116 H  HB   . ILE   A 124 ? 0.23795582 0.17905748 0.14656894 -0.00627287 -0.00007873 -0.05550050 236 ILE   A HB   
2117 H  HG12 . ILE   A 124 ? 0.26894674 0.17160331 0.17918114 0.00928561  -0.00455303 -0.04552381 236 ILE   A HG12 
2118 H  HG13 . ILE   A 124 ? 0.26647037 0.17180797 0.17997994 0.00893791  -0.00328135 -0.04425626 236 ILE   A HG13 
2119 H  HG21 . ILE   A 124 ? 0.24990556 0.18871479 0.14328229 -0.01758885 -0.00476865 -0.05390225 236 ILE   A HG21 
2120 H  HG22 . ILE   A 124 ? 0.25120521 0.18860812 0.14284936 -0.01759867 -0.00576418 -0.05392726 236 ILE   A HG22 
2121 H  HG23 . ILE   A 124 ? 0.24914292 0.18823306 0.14256042 -0.01771010 -0.00493942 -0.05380951 236 ILE   A HG23 
2122 H  HD11 . ILE   A 124 ? 0.30123347 0.18725848 0.19495983 0.00993372  -0.00824604 -0.03499044 236 ILE   A HD11 
2123 H  HD12 . ILE   A 124 ? 0.29865006 0.19201151 0.19418523 0.01074984  -0.00659410 -0.03531177 236 ILE   A HD12 
2124 H  HD13 . ILE   A 124 ? 0.29783440 0.18772101 0.19728662 0.00940244  -0.00620258 -0.03326824 236 ILE   A HD13 
2125 N  N    . SER   A 125 ? 0.24471632 0.14913072 0.14516178 -0.01385751 0.00797384  -0.03918263 237 SER   A N    
2126 C  CA   . SER   A 125 ? 0.25239539 0.14580025 0.16195422 -0.01424545 0.00588849  -0.03810452 237 SER   A CA   
2127 C  C    . SER   A 125 ? 0.24040794 0.14062479 0.17974314 -0.01472000 0.01099273  -0.02824372 237 SER   A C    
2128 O  O    . SER   A 125 ? 0.23692134 0.15805821 0.16930740 -0.01511522 0.03043565  -0.04334973 237 SER   A O    
2129 C  CB   . SER   A 125 ? 0.30537021 0.17287275 0.18661170 -0.01644298 -0.00673320 -0.03855427 237 SER   A CB   
2130 O  OG   . SER   A 125 ? 0.32890007 0.18736222 0.23047611 -0.01590006 -0.01431482 -0.02838523 237 SER   A OG   
2131 H  H    . SER   A 125 ? 0.24233824 0.15583956 0.14852011 -0.01332142 0.00775223  -0.04074341 237 SER   A H    
2132 H  HA   . SER   A 125 ? 0.25439674 0.14951830 0.16548915 -0.01475042 0.00560215  -0.03672547 237 SER   A HA   
2133 H  HB2  . SER   A 125 ? 0.29536444 0.17123723 0.18865092 -0.01508885 -0.00506942 -0.03715412 237 SER   A HB2  
2134 H  HB3  . SER   A 125 ? 0.29590440 0.16958250 0.18891092 -0.01617911 -0.00563281 -0.03579444 237 SER   A HB3  
2135 H  HG   . SER   A 125 ? 0.25073192 0.25073192 0.25073192 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2136 N  N    . GLY   A 126 ? 0.26624075 0.13003239 0.21649642 -0.01145101 0.02378908  -0.03636413 238 GLY   A N    
2137 C  CA   . GLY   A 126 ? 0.27018288 0.13227190 0.19099380 -0.01616834 0.01797939  -0.03888624 238 GLY   A CA   
2138 C  C    . GLY   A 126 ? 0.25800163 0.14033943 0.16310056 0.00444905  0.00428245  -0.00648500 238 GLY   A C    
2139 O  O    . GLY   A 126 ? 0.27064985 0.16048343 0.14575034 0.00532708  0.00648106  0.00270950  238 GLY   A O    
2140 H  H    . GLY   A 126 ? 0.26256776 0.13408956 0.20242639 -0.01275801 0.01740442  -0.03552112 238 GLY   A H    
2141 H  HA2  . GLY   A 126 ? 0.26790318 0.13700455 0.19284564 -0.01141138 0.01687307  -0.03325555 238 GLY   A HA2  
2142 H  HA3  . GLY   A 126 ? 0.26660290 0.13463244 0.18985029 -0.01048459 0.01609990  -0.03119749 238 GLY   A HA3  
2143 N  N    . ASP   A 127 ? 0.26155546 0.14206131 0.14364640 -0.01121617 0.01325745  0.00440545  239 ASP   A N    
2144 C  CA   . ASP   A 127 ? 0.27530804 0.17481287 0.14247148 -0.01470477 -0.00063286 -0.00749907 239 ASP   A CA   
2145 C  C    . ASP   A 127 ? 0.27251083 0.18080217 0.12374492 -0.00583596 0.00444995  -0.01804867 239 ASP   A C    
2146 O  O    . ASP   A 127 ? 0.29867712 0.20590486 0.12821160 -0.00505426 0.01325437  -0.03988944 239 ASP   A O    
2147 C  CB   . ASP   A 127 ? 0.31114215 0.18699309 0.18755476 0.00440415  -0.00415364 -0.00554378 239 ASP   A CB   
2148 C  CG   . ASP   A 127 ? 0.32878432 0.16649674 0.20456831 -0.00370629 0.00198900  0.00398258  239 ASP   A CG   
2149 O  OD1  . ASP   A 127 ? 0.36561215 0.25194848 0.25801575 0.01442124  0.02880993  0.06357865  239 ASP   A OD1  
2150 O  OD2  . ASP   A 127 ? 0.35074019 0.16697057 0.25513652 0.00714827  -0.01725589 -0.03210608 239 ASP   A OD2  
2151 H  H    . ASP   A 127 ? 0.26163009 0.14838265 0.14859353 -0.00875167 0.00874574  -0.00100934 239 ASP   A H    
2152 H  HA   . ASP   A 127 ? 0.27643690 0.17099787 0.14520894 -0.00929506 0.00298084  -0.00633135 239 ASP   A HA   
2153 H  HB2  . ASP   A 127 ? 0.30916166 0.18069367 0.18083140 0.00005876  -0.00404747 -0.00476208 239 ASP   A HB2  
2154 H  HB3  . ASP   A 127 ? 0.30695501 0.18195757 0.18077157 0.00005674  -0.00069270 -0.00234089 239 ASP   A HB3  
2155 N  N    . ILE   A 128 ? 0.27129576 0.18786223 0.08882081 0.00686699  0.00451691  -0.00164062 240 ILE   A N    
2156 C  CA   . ILE   A 128 ? 0.27154905 0.18211615 0.09050797 0.00555838  0.01043338  -0.01361234 240 ILE   A CA   
2157 C  C    . ILE   A 128 ? 0.26116097 0.17404498 0.11719010 -0.00461153 0.01737061  -0.02406547 240 ILE   A C    
2158 O  O    . ILE   A 128 ? 0.26857358 0.22163621 0.12559807 0.00708532  0.03867631  -0.02764424 240 ILE   A O    
2159 C  CB   . ILE   A 128 ? 0.28679824 0.18174976 0.10615809 -0.01199359 0.02406991  -0.00613925 240 ILE   A CB   
2160 C  CG1  . ILE   A 128 ? 0.28771576 0.18196729 0.14415357 -0.01465873 0.02275131  -0.02840371 240 ILE   A CG1  
2161 C  CG2  . ILE   A 128 ? 0.29529384 0.17777823 0.15896359 -0.01252615 0.00648520  -0.01126820 240 ILE   A CG2  
2162 C  CD1  . ILE   A 128 ? 0.29359156 0.18644807 0.16243108 -0.01629294 0.03818133  -0.03951356 240 ILE   A CD1  
2163 H  H    . ILE   A 128 ? 0.27109542 0.18444467 0.09311666 0.00370482  0.00735944  -0.00848735 240 ILE   A H    
2164 H  HA   . ILE   A 128 ? 0.27208728 0.18067315 0.09385479 0.00127500  0.01381439  -0.01457161 240 ILE   A HA   
2165 H  HB   . ILE   A 128 ? 0.28460720 0.18036336 0.11667015 -0.00845487 0.01728268  -0.01131971 240 ILE   A HB   
2166 H  HG12 . ILE   A 128 ? 0.28900498 0.18296096 0.13929650 -0.01449554 0.02651690  -0.02567992 240 ILE   A HG12 
2167 H  HG13 . ILE   A 128 ? 0.28901914 0.18299453 0.13882734 -0.01419155 0.02617830  -0.02553638 240 ILE   A HG13 
2168 H  HG21 . ILE   A 128 ? 0.29289052 0.17929302 0.14515205 -0.01280833 0.01199008  -0.00959337 240 ILE   A HG21 
2169 H  HG22 . ILE   A 128 ? 0.29346874 0.18042436 0.14622445 -0.01296312 0.01224424  -0.01054639 240 ILE   A HG22 
2170 H  HG23 . ILE   A 128 ? 0.29304832 0.18100154 0.14999257 -0.01303386 0.01100392  -0.00667534 240 ILE   A HG23 
2171 H  HD11 . ILE   A 128 ? 0.29313606 0.18569298 0.15947729 -0.01668826 0.03549245  -0.03739073 240 ILE   A HD11 
2172 H  HD12 . ILE   A 128 ? 0.29210851 0.18517256 0.15738960 -0.01598002 0.03410507  -0.03656477 240 ILE   A HD12 
2173 H  HD13 . ILE   A 128 ? 0.29215878 0.18516260 0.15747170 -0.01597182 0.03384256  -0.03623603 240 ILE   A HD13 
2174 N  N    . ASP   A 129 ? 0.26271781 0.15934889 0.12591620 0.00114125  0.01674594  -0.03196217 241 ASP   A N    
2175 C  CA   . ASP   A 129 ? 0.27597526 0.18387201 0.12537630 -0.01376951 0.02821332  -0.03345991 241 ASP   A CA   
2176 C  C    . ASP   A 129 ? 0.25201991 0.17997476 0.13268121 0.00407828  0.03404438  -0.01967882 241 ASP   A C    
2177 O  O    . ASP   A 129 ? 0.33314109 0.19015640 0.15254943 0.00815033  0.06346597  -0.00073426 241 ASP   A O    
2178 C  CB   . ASP   A 129 ? 0.33616817 0.21200864 0.19550700 -0.01555629 0.00785237  -0.06077702 241 ASP   A CB   
2179 C  CG   . ASP   A 129 ? 0.45227015 0.26308000 0.29477775 -0.03661405 -0.00436864 -0.05036794 241 ASP   A CG   
2180 O  OD1  . ASP   A 129 ? 0.56503719 0.31552404 0.35595235 -0.11943320 0.02411099  -0.03923246 241 ASP   A OD1  
2181 O  OD2  . ASP   A 129 ? 0.60961926 0.41657060 0.35021931 -0.04065151 -0.05490763 -0.12026279 241 ASP   A OD2  
2182 H  H    . ASP   A 129 ? 0.26610082 0.16837981 0.12491985 -0.00336158 0.01860810  -0.03030873 241 ASP   A H    
2183 H  HA   . ASP   A 129 ? 0.27550852 0.18164057 0.12900798 -0.00856744 0.02739017  -0.03270438 241 ASP   A HA   
2184 H  HB2  . ASP   A 129 ? 0.33551085 0.21096876 0.19349611 -0.01776712 0.00847799  -0.05261717 241 ASP   A HB2  
2185 H  HB3  . ASP   A 129 ? 0.33411518 0.21065177 0.18900640 -0.01823998 0.01098923  -0.05168983 241 ASP   A HB3  
2186 N  N    . LEU   A 130 ? 0.24888650 0.18038036 0.09262733 -0.00382603 0.00638773  -0.01699788 242 LEU   A N    
2187 C  CA   . LEU   A 130 ? 0.23291227 0.18125361 0.08675265 -0.02629044 0.02061402  -0.03912305 242 LEU   A CA   
2188 C  C    . LEU   A 130 ? 0.23482662 0.17453720 0.13105333 -0.03263191 0.01333029  -0.03940284 242 LEU   A C    
2189 O  O    . LEU   A 130 ? 0.24791652 0.26801258 0.09838880 -0.01620694 0.01229381  -0.01289857 242 LEU   A O    
2190 C  CB   . LEU   A 130 ? 0.22560397 0.19207869 0.07787120 -0.02720287 0.00986171  -0.03640060 242 LEU   A CB   
2191 C  CG   . LEU   A 130 ? 0.23440391 0.19855379 0.09672727 -0.03066952 -0.00055135 -0.04576601 242 LEU   A CG   
2192 C  CD1  . LEU   A 130 ? 0.22774926 0.20011306 0.12704228 -0.02707703 -0.00954322 -0.04373027 242 LEU   A CD1  
2193 C  CD2  . LEU   A 130 ? 0.23591667 0.21303125 0.10752976 -0.03453667 0.00011296  -0.04450928 242 LEU   A CD2  
2194 H  H    . LEU   A 130 ? 0.24558315 0.18070787 0.09880354 -0.00756319 0.01558969  -0.02301567 242 LEU   A H    
2195 H  HA   . LEU   A 130 ? 0.23160130 0.18204302 0.09315559 -0.02410977 0.01728145  -0.03389028 242 LEU   A HA   
2196 H  HB2  . LEU   A 130 ? 0.22761323 0.19073856 0.08343776 -0.02713378 0.00985505  -0.03856914 242 LEU   A HB2  
2197 H  HB3  . LEU   A 130 ? 0.22751182 0.19084996 0.08317271 -0.02786527 0.01132096  -0.03839043 242 LEU   A HB3  
2198 H  HG   . LEU   A 130 ? 0.23235555 0.20000622 0.10043345 -0.03030223 0.00025195  -0.04354536 242 LEU   A HG   
2199 H  HD11 . LEU   A 130 ? 0.22975695 0.19952357 0.12399305 -0.02775224 -0.00580102 -0.04278261 242 LEU   A HD11 
2200 H  HD12 . LEU   A 130 ? 0.22958800 0.20002502 0.11935401 -0.02789561 -0.00667994 -0.04387560 242 LEU   A HD12 
2201 H  HD13 . LEU   A 130 ? 0.22895834 0.19943902 0.11922704 -0.02756737 -0.00696154 -0.04376347 242 LEU   A HD13 
2202 H  HD21 . LEU   A 130 ? 0.23588187 0.20958477 0.10497527 -0.03330836 0.00014571  -0.04486081 242 LEU   A HD21 
2203 H  HD22 . LEU   A 130 ? 0.23617825 0.20956373 0.10468156 -0.03369433 0.00033080  -0.04500712 242 LEU   A HD22 
2204 H  HD23 . LEU   A 130 ? 0.23570874 0.21100587 0.10452963 -0.03324206 0.00006370  -0.04476725 242 LEU   A HD23 
2205 N  N    . THR   A 131 ? 0.22840220 0.18490769 0.14690851 -0.03206932 0.03170114  -0.03840047 243 THR   A N    
2206 C  CA   . THR   A 131 ? 0.25593454 0.20122188 0.15254198 -0.03289811 0.02235759  -0.02951242 243 THR   A CA   
2207 C  C    . THR   A 131 ? 0.25808942 0.22870186 0.14699711 -0.01425230 0.01870571  -0.04247431 243 THR   A C    
2208 O  O    . THR   A 131 ? 0.23857874 0.22252169 0.22198015 0.00242646  0.01477790  -0.05087801 243 THR   A O    
2209 C  CB   . THR   A 131 ? 0.30544761 0.23368466 0.14442424 -0.02571021 0.00570730  -0.04386668 243 THR   A CB   
2210 O  OG1  . THR   A 131 ? 0.35835856 0.24550083 0.15420555 -0.02090674 0.00625016  -0.03914543 243 THR   A OG1  
2211 C  CG2  . THR   A 131 ? 0.33387718 0.27591971 0.16297641 -0.02615283 0.00019637  -0.02747854 243 THR   A CG2  
2212 H  H    . THR   A 131 ? 0.23045322 0.18549225 0.14229138 -0.03269508 0.02705329  -0.03665799 243 THR   A H    
2213 H  HA   . THR   A 131 ? 0.25454676 0.20664251 0.14890136 -0.03011986 0.02137542  -0.03536493 243 THR   A HA   
2214 H  HB   . THR   A 131 ? 0.30771455 0.23447710 0.14998361 -0.02620862 0.00831968  -0.03753603 243 THR   A HB   
2215 H  HG1  . THR   A 131 ? 0.25266969 0.25266969 0.25266969 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2216 H  HG21 . THR   A 131 ? 0.32540336 0.26418769 0.16190687 -0.02566004 0.00079643  -0.03191410 243 THR   A HG21 
2217 H  HG22 . THR   A 131 ? 0.32802275 0.26507509 0.15837742 -0.02407637 0.00094862  -0.03226607 243 THR   A HG22 
2218 H  HG23 . THR   A 131 ? 0.32496983 0.27055499 0.15891854 -0.02619798 0.00139515  -0.02981157 243 THR   A HG23 
2219 N  N    . SER   A 132 ? 0.24268357 0.20623462 0.14096712 -0.00222585 0.03373392  -0.03735000 244 SER   A N    
2220 C  CA   . SER   A 132 ? 0.26331586 0.21448585 0.14278592 0.00520431  0.01267206  -0.04625870 244 SER   A CA   
2221 C  C    . SER   A 132 ? 0.26321158 0.16678764 0.14047365 0.00271430  0.01479741  -0.03242614 244 SER   A C    
2222 O  O    . SER   A 132 ? 0.26286915 0.16976917 0.10582235 0.00633356  0.01190424  -0.02084245 244 SER   A O    
2223 C  CB   . SER   A 132 ? 0.29697797 0.25945961 0.18105553 -0.00294548 0.00292808  -0.03315301 244 SER   A CB   
2224 O  OG   . SER   A 132 ? 0.32227203 0.26891994 0.16591047 0.01302097  0.00645588  0.01105187  244 SER   A OG   
2225 H  H    . SER   A 132 ? 0.24501330 0.21158879 0.14231083 -0.00153258 0.02757078  -0.04079933 244 SER   A H    
2226 H  HA   . SER   A 132 ? 0.26404709 0.20929711 0.14779496 0.00200498  0.01543253  -0.03990274 244 SER   A HA   
2227 H  HB2  . SER   A 132 ? 0.29224849 0.25247264 0.16856018 0.00191665  0.00577154  -0.02492297 244 SER   A HB2  
2228 H  HB3  . SER   A 132 ? 0.29181200 0.24923956 0.16786960 0.00238579  0.00615998  -0.02674578 244 SER   A HB3  
2229 H  HG   . SER   A 132 ? 0.25323963 0.25323963 0.25323963 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2230 N  N    . ALA   A 133 ? 0.25583842 0.17893337 0.12308989 0.00558039  0.01762390  -0.04025573 245 ALA   A N    
2231 C  CA   . ALA   A 133 ? 0.25881696 0.15456086 0.10540419 -0.00987701 0.02493345  -0.02315838 245 ALA   A CA   
2232 C  C    . ALA   A 133 ? 0.25404865 0.15564308 0.15334499 -0.01243591 0.02405424  -0.04512446 245 ALA   A C    
2233 O  O    . ALA   A 133 ? 0.29164284 0.18554635 0.23673075 -0.01009692 0.06928456  -0.03730754 245 ALA   A O    
2234 C  CB   . ALA   A 133 ? 0.30872193 0.17769322 0.11883150 -0.00267974 0.01335617  -0.01263827 245 ALA   A CB   
2235 H  H    . ALA   A 133 ? 0.25652584 0.17080811 0.12291320 0.00182847  0.01926893  -0.03495853 245 ALA   A H    
2236 H  HA   . ALA   A 133 ? 0.26020914 0.16250502 0.11688861 -0.00592157 0.02532256  -0.02877678 245 ALA   A HA   
2237 H  HB1  . ALA   A 133 ? 0.29411048 0.17498459 0.11553230 -0.00555151 0.01632128  -0.01479861 245 ALA   A HB1  
2238 H  HB2  . ALA   A 133 ? 0.29743841 0.17135701 0.11824693 -0.00493313 0.01331661  -0.01518670 245 ALA   A HB2  
2239 H  HB3  . ALA   A 133 ? 0.29707414 0.17250845 0.11623424 -0.00286116 0.01789654  -0.01460122 245 ALA   A HB3  
2240 N  N    . SER   A 134 ? 0.24059436 0.15539946 0.17086732 -0.00534867 0.03496795  -0.04528379 246 SER   A N    
2241 C  CA   . SER   A 134 ? 0.24524519 0.16092108 0.19976944 0.00603513  0.02464028  -0.05116911 246 SER   A CA   
2242 C  C    . SER   A 134 ? 0.26377413 0.15455839 0.23259899 0.00201173  0.01385124  -0.05568864 246 SER   A C    
2243 O  O    . SER   A 134 ? 0.26431045 0.14733024 0.24212594 0.00831636  0.02973645  -0.05604409 246 SER   A O    
2244 C  CB   . SER   A 134 ? 0.27780446 0.21321139 0.22945911 0.01162114  0.02096076  -0.02530969 246 SER   A CB   
2245 O  OG   . SER   A 134 ? 0.32114071 0.27279633 0.22165780 0.02861071  0.01558805  -0.00618004 246 SER   A OG   
2246 H  H    . SER   A 134 ? 0.24229941 0.15620315 0.17042278 -0.00367171 0.03202711  -0.04680232 246 SER   A H    
2247 H  HA   . SER   A 134 ? 0.25125065 0.16514172 0.19983259 0.00399375  0.02569909  -0.04755319 246 SER   A HA   
2248 H  HB2  . SER   A 134 ? 0.27563897 0.21162049 0.21978100 0.01259349  0.02070176  -0.02799201 246 SER   A HB2  
2249 H  HB3  . SER   A 134 ? 0.27594310 0.20886831 0.21961154 0.01363781  0.02076394  -0.02792119 246 SER   A HB3  
2250 H  HG   . SER   A 134 ? 0.27233866 0.27233866 0.27233866 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2251 N  N    . TYR   A 135 ? 0.24649733 0.15408304 0.23643947 0.01210720  0.01667967  -0.06668292 247 TYR   A N    
2252 C  CA   . TYR   A 135 ? 0.27153680 0.14884239 0.25926641 -0.00275302 -0.00479856 -0.06063803 247 TYR   A CA   
2253 C  C    . TYR   A 135 ? 0.26092237 0.16847648 0.26047733 -0.01045361 -0.03539333 -0.05969663 247 TYR   A C    
2254 O  O    . TYR   A 135 ? 0.29700157 0.19309156 0.30254030 0.00557696  -0.03003401 -0.05603162 247 TYR   A O    
2255 C  CB   . TYR   A 135 ? 0.29865298 0.16540094 0.31831625 0.01092115  -0.04025558 -0.04994988 247 TYR   A CB   
2256 C  CG   . TYR   A 135 ? 0.31550658 0.16423731 0.32788378 0.03361183  -0.09564503 -0.10673504 247 TYR   A CG   
2257 C  CD1  . TYR   A 135 ? 0.38145143 0.17716691 0.37949836 0.04985922  -0.09096918 -0.10662612 247 TYR   A CD1  
2258 C  CD2  . TYR   A 135 ? 0.34929174 0.16888632 0.33311918 0.01950654  -0.10214578 -0.13171384 247 TYR   A CD2  
2259 C  CE1  . TYR   A 135 ? 0.38424528 0.19044662 0.37797511 0.10128541  -0.12721702 -0.12475275 247 TYR   A CE1  
2260 C  CE2  . TYR   A 135 ? 0.37672514 0.24760252 0.34287417 0.04696515  -0.10846515 -0.13176510 247 TYR   A CE2  
2261 C  CZ   . TYR   A 135 ? 0.40802830 0.24936682 0.33342329 0.09120977  -0.10949603 -0.15399195 247 TYR   A CZ   
2262 O  OH   . TYR   A 135 ? 0.52690899 0.41432375 0.31836963 0.14288649  -0.10717601 -0.20085520 247 TYR   A OH   
2263 H  H    . TYR   A 135 ? 0.24860230 0.15240529 0.23908000 0.00992138  0.01415073  -0.06357441 247 TYR   A H    
2264 H  HA   . TYR   A 135 ? 0.26756564 0.15533502 0.26102436 0.00206868  -0.00951484 -0.06039486 247 TYR   A HA   
2265 H  HB2  . TYR   A 135 ? 0.29509491 0.16054787 0.30541879 0.01161208  -0.04274081 -0.06412499 247 TYR   A HB2  
2266 H  HB3  . TYR   A 135 ? 0.29572403 0.16143975 0.30510968 0.01193301  -0.04256739 -0.06416409 247 TYR   A HB3  
2267 H  HD1  . TYR   A 135 ? 0.36355042 0.17709568 0.36368728 0.05625139  -0.09914336 -0.11032440 247 TYR   A HD1  
2268 H  HD2  . TYR   A 135 ? 0.34643802 0.17421851 0.33293423 0.03109798  -0.10077871 -0.12587762 247 TYR   A HD2  
2269 H  HE1  . TYR   A 135 ? 0.38745397 0.18842551 0.36758146 0.08905703  -0.11429321 -0.12836972 247 TYR   A HE1  
2270 H  HE2  . TYR   A 135 ? 0.37566179 0.22726360 0.33986837 0.05055597  -0.10748442 -0.13733846 247 TYR   A HE2  
2271 H  HH   . TYR   A 135 ? 0.42592892 0.42592892 0.42592892 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2272 N  N    . THR   A 136 ? 0.29916400 0.16144423 0.25029743 0.01441493  -0.01145480 -0.02697914 248 THR   A N    
2273 C  CA   . THR   A 136 ? 0.32315788 0.16255905 0.25945941 0.00588963  -0.02554023 0.00028367  248 THR   A CA   
2274 C  C    . THR   A 136 ? 0.30395630 0.15860876 0.20097148 0.01937438  -0.01273259 0.01287194  248 THR   A C    
2275 O  O    . THR   A 136 ? 0.28518033 0.17137827 0.31826648 0.01900485  -0.00850762 -0.00808766 248 THR   A O    
2276 C  CB   . THR   A 136 ? 0.37164146 0.23053156 0.27759945 0.00573654  -0.04677698 -0.01909020 248 THR   A CB   
2277 O  OG1  . THR   A 136 ? 0.42948681 0.28359455 0.36814472 0.00877574  -0.07525517 -0.01720875 248 THR   A OG1  
2278 C  CG2  . THR   A 136 ? 0.38394564 0.24171282 0.23535010 -0.01500492 -0.04910860 -0.03854939 248 THR   A CG2  
2279 H  H    . THR   A 136 ? 0.29171818 0.16308507 0.25449944 0.00744258  -0.01950353 -0.02943604 248 THR   A H    
2280 H  HA   . THR   A 136 ? 0.32333672 0.17252123 0.25109962 0.00855862  -0.02558590 -0.00463830 248 THR   A HA   
2281 H  HB   . THR   A 136 ? 0.37325040 0.22648238 0.27793413 0.00383034  -0.04713893 -0.01834351 248 THR   A HB   
2282 H  HG1  . THR   A 136 ? 0.36316043 0.36316043 0.36316043 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2283 H  HG21 . THR   A 136 ? 0.37923545 0.23934282 0.24037692 -0.00988611 -0.05092558 -0.03387240 248 THR   A HG21 
2284 H  HG22 . THR   A 136 ? 0.37932026 0.23863561 0.24483889 -0.00991082 -0.04862937 -0.03318826 248 THR   A HG22 
2285 H  HG23 . THR   A 136 ? 0.38016203 0.24215117 0.24574491 -0.01087074 -0.04826943 -0.03467397 248 THR   A HG23 
2286 N  N    . MET   A 137 ? 0.35302389 0.16302904 0.21821874 0.02962685  -0.00889165 0.02167046  249 MET   A N    
2287 C  CA   . MET   A 137 ? 0.38408849 0.19136295 0.20111938 0.01949617  -0.02427182 0.03673277  249 MET   A CA   
2288 C  C    . MET   A 137 ? 0.39335132 0.24557352 0.22043322 0.00049246  -0.02601174 0.08474041  249 MET   A C    
2289 O  O    . MET   A 137 ? 0.37355638 0.38771689 0.25382560 0.00230075  -0.05388311 0.10384528  249 MET   A O    
2290 C  CB   . MET   A 137 ? 0.42795929 0.16356921 0.23658161 0.03026813  -0.02626437 0.02796699  249 MET   A CB   
2291 C  CG   . MET   A 137 ? 0.47214559 0.21072009 0.27728841 0.06766657  -0.01879525 0.01333496  249 MET   A CG   
2292 S  SD   . MET   A 137 ? 0.49790961 0.28610203 0.24121888 0.10891188  -0.04704598 -0.05893189 249 MET   A SD   
2293 C  CE   . MET   A 137 ? 0.50446844 0.29006004 0.24919024 0.07927987  -0.01744868 -0.01229595 249 MET   A CE   
2294 H  H    . MET   A 137 ? 0.34639880 0.16746995 0.21063660 0.02450305  -0.01298327 0.02237832  249 MET   A H    
2295 H  HA   . MET   A 137 ? 0.38402820 0.18922508 0.21321483 0.02017803  -0.02185061 0.03992790  249 MET   A HA   
2296 H  HB2  . MET   A 137 ? 0.42430657 0.17852475 0.23476860 0.03463108  -0.02414661 0.02720925  249 MET   A HB2  
2297 H  HB3  . MET   A 137 ? 0.42271286 0.17782930 0.23469172 0.03378510  -0.02403315 0.02739632  249 MET   A HB3  
2298 H  HG2  . MET   A 137 ? 0.46558279 0.21095994 0.25972649 0.06548870  -0.02545294 0.00377684  249 MET   A HG2  
2299 H  HG3  . MET   A 137 ? 0.46430624 0.21492526 0.26059607 0.06427884  -0.02576022 0.00694803  249 MET   A HG3  
2300 H  HE1  . MET   A 137 ? 0.50398642 0.29112962 0.24869132 0.08497069  -0.02357971 -0.02420011 249 MET   A HE1  
2301 H  HE2  . MET   A 137 ? 0.50288475 0.29017448 0.24794441 0.08495445  -0.02434664 -0.02494982 249 MET   A HE2  
2302 H  HE3  . MET   A 137 ? 0.50343812 0.29542774 0.24867201 0.08430465  -0.02503601 -0.02154272 249 MET   A HE3  
2303 N  N    . ILE   A 138 ? 0.40197968 0.23485987 0.19528803 -0.02393625 -0.01267707 0.08051056  250 ILE   A N    
2304 C  CA   . ILE   A 138 ? 0.48854461 0.28829420 0.17873801 -0.04538862 -0.02369520 0.08192976  250 ILE   A CA   
2305 C  C    . ILE   A 138 ? 0.50007695 0.31987849 0.20935082 -0.08252519 -0.00408503 0.11681353  250 ILE   A C    
2306 O  O    . ILE   A 138 ? 0.53233087 0.40434957 0.23147932 -0.08169971 -0.03117742 0.14023592  250 ILE   A O    
2307 C  CB   . ILE   A 138 ? 0.58346123 0.33992627 0.15960729 -0.04451682 0.03263362  0.01881827  250 ILE   A CB   
2308 C  CG1  . ILE   A 138 ? 0.60921729 0.36659810 0.13404615 -0.02909498 0.02831509  0.00935013  250 ILE   A CG1  
2309 C  CG2  . ILE   A 138 ? 0.62265378 0.34928328 0.17368588 -0.07649437 0.05801277  0.00547522  250 ILE   A CG2  
2310 C  CD1  . ILE   A 138 ? 0.64521426 0.40019616 0.16850838 -0.03499152 0.02312323  0.02866374  250 ILE   A CD1  
2311 O  OXT  . ILE   A 138 ? 0.53687894 0.34941840 0.21827622 -0.07636542 0.00275986  0.10474452  250 ILE   A OXT  
2312 H  H    . ILE   A 138 ? 0.41508272 0.24658057 0.19690683 -0.02115025 -0.01885780 0.08130571  250 ILE   A H    
2313 H  HA   . ILE   A 138 ? 0.48003429 0.28871003 0.18364409 -0.04680625 -0.01173734 0.07723065  250 ILE   A HA   
2314 H  HB   . ILE   A 138 ? 0.57411385 0.33495408 0.16129787 -0.04734436 0.02500035  0.02760954  250 ILE   A HB   
2315 H  HG12 . ILE   A 138 ? 0.60591823 0.36358374 0.14335133 -0.03373726 0.02758688  0.01786890  250 ILE   A HG12 
2316 H  HG13 . ILE   A 138 ? 0.60757279 0.36537036 0.14703372 -0.03434475 0.02744928  0.01743027  250 ILE   A HG13 
2317 H  HG21 . ILE   A 138 ? 0.61406273 0.34835982 0.17086500 -0.06863949 0.04964165  0.01060748  250 ILE   A HG21 
2318 H  HG22 . ILE   A 138 ? 0.61084497 0.34623125 0.17237252 -0.06699675 0.05000589  0.00993235  250 ILE   A HG22 
2319 H  HG23 . ILE   A 138 ? 0.61499882 0.34700570 0.17156181 -0.06667148 0.05235406  0.01021572  250 ILE   A HG23 
2320 H  HD11 . ILE   A 138 ? 0.63456827 0.39215410 0.16209239 -0.03287403 0.02516150  0.02113450  250 ILE   A HD11 
2321 H  HD12 . ILE   A 138 ? 0.63705397 0.39159310 0.15974846 -0.03219349 0.02664004  0.02309091  250 ILE   A HD12 
2322 H  HD13 . ILE   A 138 ? 0.63447976 0.39637145 0.15904647 -0.03280486 0.02534150  0.02321922  250 ILE   A HD13 
2323 N  N1   . A1H2N B .   ? 0.36401510 0.23280536 0.19307603 0.02140489  -0.05310996 0.02715808  301 A1H2N A N1   
2324 N  N3   . A1H2N B .   ? 0.38633263 0.33951530 0.14948782 -0.00301663 -0.07674618 -0.00235014 301 A1H2N A N3   
2325 C  C4   . A1H2N B .   ? 0.37927687 0.34896410 0.27841961 0.06875218  -0.07847573 0.00985288  301 A1H2N A C4   
2326 C  C5   . A1H2N B .   ? 0.32984444 0.24767527 0.11343452 0.04044625  -0.04441205 0.02627343  301 A1H2N A C5   
2327 C  C6   . A1H2N B .   ? 0.30550477 0.15984437 0.12864986 0.01418166  -0.01105023 0.01640537  301 A1H2N A C6   
2328 C  C7   . A1H2N B .   ? 0.29361057 0.15023915 0.13934754 0.01762417  -0.01087019 -0.01097240 301 A1H2N A C7   
2329 C  C8   . A1H2N B .   ? 0.29808757 0.16895567 0.12745821 0.00188018  0.00724967  0.00960289  301 A1H2N A C8   
2330 C  C10  . A1H2N B .   ? 0.30402806 0.15780731 0.14999649 0.00010583  0.01775853  -0.03751874 301 A1H2N A C10  
2331 C  C13  . A1H2N B .   ? 0.33655253 0.22996882 0.25521985 -0.03624917 0.02763713  -0.01114045 301 A1H2N A C13  
2332 C  C15  . A1H2N B .   ? 0.35211048 0.15607905 0.19782388 0.00844441  -0.00986853 -0.05275846 301 A1H2N A C15  
2333 C  C17  . A1H2N B .   ? 0.29719102 0.16220023 0.13009928 -0.00602256 0.01074694  -0.00298965 301 A1H2N A C17  
2334 C  C20  . A1H2N B .   ? 0.28003263 0.15145887 0.11776001 0.01460990  0.01903328  -0.03553722 301 A1H2N A C20  
2335 C  C21  . A1H2N B .   ? 0.28715187 0.14313731 0.06059257 0.01323734  0.01392963  -0.02186950 301 A1H2N A C21  
2336 C  C22  . A1H2N B .   ? 0.34623009 0.26282868 0.20204838 0.01512167  -0.04167059 0.03546606  301 A1H2N A C22  
2337 C  C1   . A1H2N B .   ? 0.38547087 0.27105543 0.20517674 0.00035199  -0.05940789 0.02612888  301 A1H2N A C1   
2338 C  C2   . A1H2N B .   ? 0.35362867 0.28159168 0.20417014 0.02509562  -0.07681386 0.00661462  301 A1H2N A C2   
2339 C  C3   . A1H2N B .   ? 0.39173391 0.37311608 0.24196827 0.02498886  -0.05267911 0.00207580  301 A1H2N A C3   
2340 O  O1   . A1H2N B .   ? 0.42671025 0.44066185 0.35661289 0.08908522  -0.03804195 -0.00220265 301 A1H2N A O1   
2341 N  N2   . A1H2N B .   ? 0.38741699 0.34195632 0.21803063 0.00294420  -0.07746301 0.01043295  301 A1H2N A N2   
2342 C  C9   . A1H2N B .   ? 0.29817683 0.17613134 0.08499182 0.00156458  0.02372109  -0.00319252 301 A1H2N A C9   
2343 N  N4   . A1H2N B .   ? 0.28854111 0.17085831 0.12064314 0.00512879  0.02840197  -0.01718074 301 A1H2N A N4   
2344 N  N5   . A1H2N B .   ? 0.29040185 0.22202055 0.14517753 -0.00337381 0.04586799  -0.02171210 301 A1H2N A N5   
2345 N  N6   . A1H2N B .   ? 0.29330713 0.22071759 0.14807363 -0.00517868 0.03655470  -0.03948759 301 A1H2N A N6   
2346 C  C11  . A1H2N B .   ? 0.32667845 0.17215684 0.21081533 -0.01202550 0.02309556  -0.01726842 301 A1H2N A C11  
2347 C  C12  . A1H2N B .   ? 0.30616087 0.21447507 0.26087382 -0.03327719 0.02041334  -0.01916801 301 A1H2N A C12  
2348 C  C14  . A1H2N B .   ? 0.35482377 0.20327517 0.29118127 -0.01141782 0.00076022  -0.01741823 301 A1H2N A C14  
2349 CL CL1  . A1H2N B .   ? 0.56390166 0.32006082 0.44544643 0.01634005  -0.05616826 -0.02962998 301 A1H2N A CL1  
2350 F  F1   . A1H2N B .   ? 0.35603902 0.17282113 0.21612298 -0.01643189 -0.03196379 -0.02978021 301 A1H2N A F1   
2351 C  C16  . A1H2N B .   ? 0.31383371 0.14106484 0.23368941 0.00818401  -0.00215601 -0.03231225 301 A1H2N A C16  
2352 F  F2   . A1H2N B .   ? 0.33850107 0.18868810 0.18336575 -0.00186988 0.00908559  -0.00185682 301 A1H2N A F2   
2353 O  O2   . A1H2N B .   ? 0.34721446 0.20108286 0.15995461 -0.00173889 -0.00148480 0.03367210  301 A1H2N A O2   
2354 C  C18  . A1H2N B .   ? 0.38329321 0.21960256 0.23697849 0.00598003  0.01680309  0.03326629  301 A1H2N A C18  
2355 O  O3   . A1H2N B .   ? 0.29427531 0.14968245 0.12556006 0.01768844  0.00039310  -0.01322267 301 A1H2N A O3   
2356 C  C19  . A1H2N B .   ? 0.28433394 0.14621291 0.10139553 0.01260824  0.01038547  -0.02283004 301 A1H2N A C19  
2357 O  O4   . A1H2N B .   ? 0.25966641 0.19201209 0.10300422 0.01489231  -0.00272175 -0.02673093 301 A1H2N A O4   
2358 O  O5   . A1H2N B .   ? 0.27301392 0.15253434 0.06891292 0.01368011  -0.01528316 -0.01510940 301 A1H2N A O5   
2359 H  H7   . A1H2N B .   ? 0.37965521 0.34594300 0.27156278 0.06311607  -0.07171316 0.00477938  301 A1H2N A H7   
2360 H  H6   . A1H2N B .   ? 0.38062760 0.34508258 0.26952761 0.06372023  -0.07000580 0.00780165  301 A1H2N A H6   
2361 H  H8   . A1H2N B .   ? 0.30644283 0.16477045 0.12565587 0.01792932  -0.01589965 0.01685179  301 A1H2N A H8   
2362 H  H9   . A1H2N B .   ? 0.30611759 0.17017965 0.12686554 0.01955339  -0.01593933 0.01233396  301 A1H2N A H9   
2363 H  H10  . A1H2N B .   ? 0.29578876 0.15106018 0.13299708 0.01644454  -0.00487844 -0.00486120 301 A1H2N A H10  
2364 H  H11  . A1H2N B .   ? 0.30453393 0.17178075 0.12748218 0.00409620  0.00600576  0.00812866  301 A1H2N A H11  
2365 H  H14  . A1H2N B .   ? 0.32961914 0.21944566 0.26053241 -0.03117263 0.02296082  -0.01356498 301 A1H2N A H14  
2366 H  H15  . A1H2N B .   ? 0.29959244 0.16556658 0.13666032 -0.00276525 0.01475814  -0.01143093 301 A1H2N A H15  
2367 H  H20  . A1H2N B .   ? 0.27635565 0.15887102 0.11298849 0.01461657  0.01251446  -0.03002382 301 A1H2N A H20  
2368 H  H21  . A1H2N B .   ? 0.27568993 0.15614428 0.11136850 0.01587851  0.01259665  -0.03090388 301 A1H2N A H21  
2369 H  H23  . A1H2N B .   ? 0.28405663 0.14523624 0.07200340 0.01353745  0.00974969  -0.01893049 301 A1H2N A H23  
2370 H  H25  . A1H2N B .   ? 0.34523395 0.25125042 0.19524625 0.02201661  -0.04335315 0.02936420  301 A1H2N A H25  
2371 H  H1   . A1H2N B .   ? 0.38053140 0.27487722 0.20472625 0.00571125  -0.06431481 0.02158683  301 A1H2N A H1   
2372 H  H2   . A1H2N B .   ? 0.37901133 0.27532887 0.20581681 0.00809133  -0.06255646 0.02178741  301 A1H2N A H2   
2373 H  H3   . A1H2N B .   ? 0.37662244 0.27463016 0.20224176 0.00728225  -0.06261155 0.02122262  301 A1H2N A H3   
2374 H  H5   . A1H2N B .   ? 0.38639170 0.35779142 0.24762937 0.03658620  -0.05544173 0.00274635  301 A1H2N A H5   
2375 H  H4   . A1H2N B .   ? 0.38615274 0.35628113 0.24655041 0.03583695  -0.05528180 0.00329484  301 A1H2N A H4   
2376 H  H12  . A1H2N B .   ? 0.29426989 0.16724961 0.09059751 0.00447151  0.01943599  -0.00783993 301 A1H2N A H12  
2377 H  H13  . A1H2N B .   ? 0.31725198 0.20710269 0.25480521 -0.02825529 0.02294146  -0.01806778 301 A1H2N A H13  
2378 H  H17  . A1H2N B .   ? 0.37382737 0.21642119 0.21736342 0.00623488  0.00943870  0.02967891  301 A1H2N A H17  
2379 H  H18  . A1H2N B .   ? 0.37424695 0.21368024 0.22265160 0.00521585  0.01668775  0.03457203  301 A1H2N A H18  
2380 H  H16  . A1H2N B .   ? 0.37501201 0.21290386 0.21247324 0.00368622  0.01130948  0.03245555  301 A1H2N A H16  
2381 H  H19  . A1H2N B .   ? 0.28592649 0.14726327 0.10077389 0.01398833  0.01058949  -0.02266284 301 A1H2N A H19  
2382 H  H22  . A1H2N B .   ? 0.18559507 0.18559507 0.18559507 0.00000000  0.00000000  0.00000000  301 A1H2N A H22  
2383 H  H24  . A1H2N B .   ? 0.16559680 0.16559680 0.16559680 0.00000000  0.00000000  0.00000000  301 A1H2N A H24  
2384 S  S    . SCN   C .   ? 0.54253340 0.33686307 0.31898159 0.03072893  0.06910308  0.04299939  302 SCN   A S    
2385 C  C    . SCN   C .   ? 0.58544558 0.34611890 0.29318711 -0.04688143 0.03705552  0.05993099  302 SCN   A C    
2386 N  N    . SCN   C .   ? 0.57500291 0.34037992 0.27953133 -0.06275873 0.05208364  0.04678424  302 SCN   A N    
2387 O  O    . HOH   D .   ? 0.50777167 0.46673954 0.27329081 0.00529128  0.03509719  -0.16555381 401 HOH   A O    
2388 O  O    . HOH   D .   ? 0.37071931 0.53539735 0.76648897 -0.02974381 0.02493661  -0.06794921 402 HOH   A O    
2389 O  O    . HOH   D .   ? 0.45704857 0.56636912 0.30721205 0.04660566  -0.05242176 0.07383616  403 HOH   A O    
2390 O  O    . HOH   D .   ? 0.31490314 0.16480350 0.19736585 0.00375575  0.01170427  -0.03341305 404 HOH   A O    
2391 O  O    . HOH   D .   ? 0.70377111 0.41632855 0.20034653 0.01452871  -0.12778729 -0.09880886 405 HOH   A O    
2392 O  O    . HOH   D .   ? 0.69299537 0.35949513 0.31783172 -0.02308788 0.03893616  0.08531003  406 HOH   A O    
2393 O  O    . HOH   D .   ? 0.45729971 0.35369316 0.16284902 0.04625785  0.04169060  -0.04984807 407 HOH   A O    
2394 O  O    . HOH   D .   ? 0.51495469 0.25129807 0.61007929 0.15851900  0.04500408  -0.05527819 408 HOH   A O    
2395 O  O    . HOH   D .   ? 0.63463044 0.43198031 0.34131888 0.04437150  0.08214975  0.02359583  409 HOH   A O    
2396 O  O    . HOH   D .   ? 0.45662794 0.31939977 0.16789339 0.08061145  0.00897600  -0.05387738 410 HOH   A O    
2397 O  O    . HOH   D .   ? 0.41256675 0.25824666 0.18288173 0.03524384  0.02674512  -0.01068863 411 HOH   A O    
2398 O  O    . HOH   D .   ? 0.53940141 0.17513527 0.23545568 -0.02524340 0.03713310  0.01538394  412 HOH   A O    
2399 O  O    . HOH   D .   ? 0.55202270 0.34174815 0.23405249 -0.11881563 -0.05580709 0.00176062  413 HOH   A O    
2400 O  O    . HOH   D .   ? 0.28140640 0.25743619 0.16518736 -0.00544899 0.03164622  0.01074087  414 HOH   A O    
2401 O  O    . HOH   D .   ? 0.34303153 0.20547463 0.16882290 0.02789877  -0.03596099 0.00462687  415 HOH   A O    
2402 O  O    . HOH   D .   ? 0.55528063 0.45605505 0.29007640 -0.05168915 -0.05537658 0.07696590  416 HOH   A O    
2403 O  O    . HOH   D .   ? 0.32765341 0.34259063 0.15370360 0.00722311  0.03661568  -0.04725276 417 HOH   A O    
2404 O  O    . HOH   D .   ? 0.48885053 0.42013749 0.34736928 -0.06131065 0.01353767  -0.00562215 418 HOH   A O    
2405 O  O    . HOH   D .   ? 0.36757135 0.21164882 0.12678421 -0.04107271 0.00883166  0.01638836  419 HOH   A O    
2406 O  O    . HOH   D .   ? 0.37031031 0.40615934 0.21927692 -0.12016220 -0.06845907 0.01951868  420 HOH   A O    
2407 O  O    . HOH   D .   ? 0.34760588 0.29409853 0.21369627 0.02127128  0.05603657  -0.02776854 421 HOH   A O    
2408 O  O    . HOH   D .   ? 0.42039877 0.28817052 0.42773855 0.03066162  -0.09467958 -0.00352032 422 HOH   A O    
2409 O  O    . HOH   D .   ? 0.30915290 0.17154820 0.11408841 -0.03208935 -0.00198045 0.04487063  423 HOH   A O    
2410 O  O    . HOH   D .   ? 0.67807525 0.49915606 0.37265614 -0.24726264 -0.14936614 0.11322878  424 HOH   A O    
2411 O  O    . HOH   D .   ? 0.24837980 0.16308227 0.11464528 -0.04139641 0.00450271  0.00610990  425 HOH   A O    
2412 O  O    . HOH   D .   ? 0.38125607 0.40402049 0.12475617 -0.00020217 0.01981319  -0.00340454 426 HOH   A O    
2413 O  O    . HOH   D .   ? 0.36189008 0.17949133 0.31618840 -0.01585943 -0.05318473 -0.06596785 427 HOH   A O    
2414 O  O    . HOH   D .   ? 0.33745959 0.35244659 0.37009656 0.01500089  -0.01304763 0.01429057  428 HOH   A O    
2415 O  O    . HOH   D .   ? 0.34680656 0.19138575 0.15768836 0.02668460  -0.01293739 0.01536661  429 HOH   A O    
2416 O  O    . HOH   D .   ? 0.38086110 0.21890292 0.29158169 -0.02771596 0.01886602  -0.06237201 430 HOH   A O    
2417 O  O    . HOH   D .   ? 0.35023248 0.24549031 0.25295693 0.04590206  0.00930645  0.02355962  431 HOH   A O    
2418 O  O    . HOH   D .   ? 0.71879447 0.33409151 0.22276682 0.16416132  -0.03055874 -0.08067656 432 HOH   A O    
2419 O  O    . HOH   D .   ? 0.58415836 0.46673083 0.16092074 -0.09059474 0.05323620  0.00326447  433 HOH   A O    
2420 O  O    . HOH   D .   ? 0.67294037 0.35657969 0.45118600 0.08048853  0.18236965  -0.08243008 434 HOH   A O    
2421 O  O    . HOH   D .   ? 0.81323510 0.60825443 0.36743549 0.12113565  0.04261114  0.15951195  435 HOH   A O    
2422 O  O    . HOH   D .   ? 0.43031335 0.67040187 0.61308032 -0.02502379 0.21577153  -0.07161966 436 HOH   A O    
2423 O  O    . HOH   D .   ? 0.41139936 0.48045766 0.23287585 0.05204772  0.09068413  -0.09573106 437 HOH   A O    
2424 O  O    . HOH   D .   ? 0.33794478 0.55967379 0.22038426 0.03779931  0.01153870  -0.03902967 438 HOH   A O    
2425 O  O    . HOH   D .   ? 0.36033547 0.55267692 0.31889057 -0.14228299 0.01045824  -0.00081669 439 HOH   A O    
2426 O  O    . HOH   D .   ? 0.34553629 0.53236270 0.23608153 0.12743099  0.03377346  0.10301670  440 HOH   A O    
2427 O  O    . HOH   D .   ? 0.34552690 0.30686072 0.32560819 -0.02928548 0.03478908  -0.02961937 441 HOH   A O    
2428 O  O    . HOH   D .   ? 0.69035459 0.98002648 0.32112616 -0.10036495 0.05602305  0.12843502  442 HOH   A O    
2429 O  O    . HOH   D .   ? 0.29343569 0.18935560 0.08554307 0.02626685  0.04299119  0.00881008  443 HOH   A O    
2430 O  O    . HOH   D .   ? 0.40752953 0.48322234 0.42178762 -0.00886421 -0.08386511 -0.00545773 444 HOH   A O    
2431 O  O    . HOH   D .   ? 0.50378501 0.40205666 0.28868201 -0.10910249 0.02566538  0.02331543  445 HOH   A O    
2432 O  O    . HOH   D .   ? 0.94486010 0.31696740 0.45133328 0.02802462  -0.23215593 0.05705979  446 HOH   A O    
2433 O  O    . HOH   D .   ? 0.68106222 0.94480652 0.26629567 0.38868937  -0.05653254 -0.14263083 447 HOH   A O    
2434 O  O    . HOH   D .   ? 0.28399277 0.15736373 0.06110631 -0.04075734 -0.00681278 0.00174559  448 HOH   A O    
2435 O  O    . HOH   D .   ? 0.45985219 0.29672477 0.26000908 0.05589496  -0.01925241 -0.05482321 449 HOH   A O    
2436 O  O    . HOH   D .   ? 0.29777801 0.26972285 0.13877729 0.01295397  0.00020864  -0.00667104 450 HOH   A O    
2437 O  O    . HOH   D .   ? 0.44048238 0.36818016 0.32218033 -0.07038929 -0.03246357 0.15677808  451 HOH   A O    
2438 O  O    . HOH   D .   ? 0.51006597 0.43495294 0.18739854 0.01252327  0.07579844  -0.06511214 452 HOH   A O    
2439 O  O    . HOH   D .   ? 0.46039113 0.33607095 0.22959177 -0.07135538 -0.01715543 -0.06434070 453 HOH   A O    
2440 O  O    . HOH   D .   ? 0.27364388 0.19149885 0.09269875 -0.00175456 -0.02221623 -0.01821227 454 HOH   A O    
2441 O  O    . HOH   D .   ? 0.48652911 0.22777264 0.21289104 0.02796714  0.00979996  0.01965273  455 HOH   A O    
2442 O  O    . HOH   D .   ? 0.54938614 0.33832276 0.61038166 -0.13054177 0.37672132  -0.23380445 456 HOH   A O    
2443 O  O    . HOH   D .   ? 0.44946542 0.27474812 0.16505995 0.07479154  0.01480926  -0.02121314 457 HOH   A O    
2444 O  O    . HOH   D .   ? 0.35338199 0.29936194 0.31027663 -0.04539201 0.09230436  -0.11004439 458 HOH   A O    
2445 O  O    . HOH   D .   ? 0.33394533 0.20564675 0.12720759 0.02585172  0.03609408  -0.01110953 459 HOH   A O    
2446 O  O    . HOH   D .   ? 0.36753315 0.32349432 0.47020122 0.12688294  -0.00757544 -0.14202544 460 HOH   A O    
2447 O  O    . HOH   D .   ? 0.26622421 0.35598585 0.23078018 0.00680382  0.00186172  -0.09108629 461 HOH   A O    
2448 O  O    . HOH   D .   ? 0.46152550 0.40744075 0.35702327 -0.00108328 0.00971540  -0.00370948 462 HOH   A O    
2449 O  O    . HOH   D .   ? 0.37469041 0.32546967 0.29192868 -0.05111903 0.01626870  -0.05960184 463 HOH   A O    
2450 O  O    . HOH   D .   ? 0.63001496 0.28668886 0.31388170 0.09175009  0.16284023  0.12132841  464 HOH   A O    
2451 O  O    . HOH   D .   ? 0.29421633 0.24389246 0.05849108 0.05528007  -0.00890866 -0.01087310 465 HOH   A O    
2452 O  O    . HOH   D .   ? 0.31421256 0.21073510 0.29048145 -0.00780805 -0.04225136 0.00653402  466 HOH   A O    
2453 O  O    . HOH   D .   ? 0.38355601 0.33317846 0.22522339 -0.03819264 -0.08381571 0.01864704  467 HOH   A O    
2454 O  O    . HOH   D .   ? 0.40258497 0.40756577 0.24769831 0.01725414  0.03249755  -0.10369390 468 HOH   A O    
2455 O  O    . HOH   D .   ? 1.12344193 0.85652268 0.54666340 -0.31168780 0.02821907  -0.36604416 469 HOH   A O    
2456 O  O    . HOH   D .   ? 0.44858217 0.59956127 0.77546221 -0.06600239 -0.17069098 0.33109790  470 HOH   A O    
2457 O  O    . HOH   D .   ? 0.58024472 0.69393194 0.25355414 0.12074403  0.08189702  0.17258701  471 HOH   A O    
2458 O  O    . HOH   D .   ? 0.43777785 0.80527902 0.23889115 -0.19712253 -0.07956572 0.28906858  472 HOH   A O    
2459 O  O    . HOH   D .   ? 0.73266011 0.42892760 0.42688495 0.07965876  0.03230603  -0.00533422 473 HOH   A O    
2460 O  O    . HOH   D .   ? 0.30326140 0.36638692 0.37866890 0.00402657  0.06000892  -0.15131952 474 HOH   A O    
2461 O  O    . HOH   D .   ? 0.32701701 0.38033712 0.18403566 -0.11596041 0.04114514  -0.17520976 475 HOH   A O    
2462 O  O    . HOH   D .   ? 0.42275715 0.40177265 0.48133188 0.04792682  0.12048697  0.10824354  476 HOH   A O    
2463 O  O    . HOH   D .   ? 0.54042178 0.29093620 0.07702526 -0.00268330 0.01580647  0.06126159  477 HOH   A O    
2464 O  O    . HOH   D .   ? 0.49983782 0.43388113 0.40916139 0.14401239  0.05707373  0.14847860  478 HOH   A O    
2465 O  O    . HOH   D .   ? 0.43121505 0.90836567 0.40146863 -0.20915551 -0.03174024 0.27405465  479 HOH   A O    
2466 O  O    . HOH   D .   ? 0.69792914 0.24270448 0.16900586 -0.02374827 -0.03300424 0.00096080  480 HOH   A O    
2467 O  O    . HOH   D .   ? 0.36374623 0.41932818 0.31841776 0.04692502  -0.00894704 0.02119022  481 HOH   A O    
2468 O  O    . HOH   D .   ? 0.35622150 0.24873361 0.20749331 -0.03853559 0.06636246  -0.00539035 482 HOH   A O    
2469 O  O    . HOH   D .   ? 0.42408746 0.33096522 0.34749001 -0.03638581 -0.02196351 -0.11507510 483 HOH   A O    
2470 O  O    . HOH   D .   ? 0.25910079 0.23070353 0.07932518 0.01077057  -0.03508623 -0.00061400 484 HOH   A O    
2471 O  O    . HOH   D .   ? 0.71591645 0.84101260 0.54781705 -0.08901381 0.20989226  0.10157106  485 HOH   A O    
2472 O  O    . HOH   D .   ? 0.51177222 0.41350308 0.29645741 -0.09603935 -0.03723717 -0.00014641 486 HOH   A O    
2473 O  O    . HOH   D .   ? 1.02401483 0.30171505 0.24804974 -0.08217174 0.20233983  -0.00923560 487 HOH   A O    
2474 O  O    . HOH   D .   ? 0.91897017 0.18891472 0.35744041 0.09557123  0.22845462  -0.13892227 488 HOH   A O    
2475 O  O    . HOH   D .   ? 0.49790120 0.26493341 0.17812459 0.08162133  -0.06054969 -0.06247200 489 HOH   A O    
2476 O  O    . HOH   D .   ? 0.49766529 0.65328693 0.47363314 0.12073235  -0.18192813 -0.13048491 490 HOH   A O    
2477 O  O    . HOH   D .   ? 0.66508633 0.31171837 0.44589931 0.00265358  -0.15232854 -0.10745487 491 HOH   A O    
2478 O  O    . HOH   D .   ? 0.69204015 0.39435938 0.47861728 0.03373412  -0.10071684 0.07556625  492 HOH   A O    
2479 O  O    . HOH   D .   ? 0.35712200 0.25742301 0.24052428 -0.00904039 -0.00948162 0.02166916  493 HOH   A O    
2480 O  O    . HOH   D .   ? 0.46917892 0.36330724 0.16493353 -0.17355871 0.06803000  -0.05578361 494 HOH   A O    
2481 O  O    . HOH   D .   ? 0.39412057 0.32638362 0.21491946 0.05257283  -0.00458143 -0.03730925 495 HOH   A O    
2482 O  O    . HOH   D .   ? 0.47178704 0.36750147 0.17344265 -0.01321776 0.04739005  0.05390956  496 HOH   A O    
2483 O  O    . HOH   D .   ? 0.51579773 0.42716423 0.45691696 0.05601446  0.05788054  -0.00436076 497 HOH   A O    
2484 O  O    . HOH   D .   ? 0.45575830 0.53188324 0.30467424 -0.00151930 -0.06003530 0.05331269  498 HOH   A O    
2485 O  O    . HOH   D .   ? 0.45110774 0.26743007 0.74644703 0.02035678  0.19732468  -0.02047798 499 HOH   A O    
2486 O  O    . HOH   D .   ? 0.53763056 0.42191485 0.25156498 -0.00975478 -0.02070029 0.10262002  500 HOH   A O    
2487 O  O    . HOH   D .   ? 0.46042401 0.21671923 0.32175982 0.00265909  0.17392591  -0.07071266 501 HOH   A O    
# 
