data_8RRB
# 
_entry.id   8RRB 
# 
_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   8RRB         pdb_00008rrb 10.2210/pdb8rrb/pdb 
WWPDB D_1292135984 ?            ?                   
# 
_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                        8RRB 
_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 
;~{N}-~{tert}-butyl-4-[4-[[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]-1,2,3-triazol-1-yl]piperidine-1-carboxamide
;
622.639   1   ? ? ? ? 
3 non-polymer syn 'NONAETHYLENE GLYCOL' 414.488   1   ? ? ? ? 
4 non-polymer syn 'THIOCYANATE ION' 58.082    2   ? ? ? ? 
5 water       nat water 18.015    157 ? ? ? ? 
# 
_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 
;~{N}-~{tert}-butyl-4-[4-[[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]-1,2,3-triazol-1-yl]piperidine-1-carboxamide
;
A1H2P 
3 'NONAETHYLENE GLYCOL' 2PE   
4 'THIOCYANATE ION' SCN   
5 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   PRO n 
1 6   TYR n 
1 7   ASN n 
1 8   LEU n 
1 9   PRO n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  GLY n 
1 14  VAL n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  MET n 
1 19  LEU n 
1 20  ILE n 
1 21  THR n 
1 22  ILE n 
1 23  LEU n 
1 24  GLY n 
1 25  THR n 
1 26  VAL n 
1 27  LYS n 
1 28  PRO n 
1 29  ASN n 
1 30  ALA n 
1 31  ASN n 
1 32  ARG n 
1 33  ILE n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  PHE n 
1 38  GLN n 
1 39  ARG n 
1 40  GLY n 
1 41  ASN n 
1 42  ASP n 
1 43  VAL n 
1 44  ALA n 
1 45  PHE n 
1 46  HIS n 
1 47  PHE n 
1 48  ASN n 
1 49  PRO n 
1 50  ARG n 
1 51  PHE n 
1 52  ASN n 
1 53  GLU n 
1 54  ASN n 
1 55  ASN n 
1 56  ARG n 
1 57  ARG n 
1 58  VAL n 
1 59  ILE n 
1 60  VAL n 
1 61  CYS n 
1 62  ASN n 
1 63  THR n 
1 64  LYS n 
1 65  LEU n 
1 66  ASP n 
1 67  ASN n 
1 68  ASN n 
1 69  TRP n 
1 70  GLY n 
1 71  ARG n 
1 72  GLU n 
1 73  GLU n 
1 74  ARG n 
1 75  GLN n 
1 76  SER n 
1 77  VAL n 
1 78  PHE n 
1 79  PRO n 
1 80  PHE n 
1 81  GLU n 
1 82  SER n 
1 83  GLY n 
1 84  LYS n 
1 85  PRO n 
1 86  PHE n 
1 87  LYS n 
1 88  ILE n 
1 89  GLN n 
1 90  VAL n 
1 91  LEU n 
1 92  VAL n 
1 93  GLU n 
1 94  PRO n 
1 95  ASP n 
1 96  HIS n 
1 97  PHE n 
1 98  LYS n 
1 99  VAL n 
1 100 ALA n 
1 101 VAL n 
1 102 ASN n 
1 103 ASP n 
1 104 ALA n 
1 105 HIS n 
1 106 LEU n 
1 107 LEU n 
1 108 GLN n 
1 109 TYR n 
1 110 ASN n 
1 111 HIS n 
1 112 ARG n 
1 113 VAL n 
1 114 LYS n 
1 115 LYS n 
1 116 LEU n 
1 117 ASN n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 LYS n 
1 122 LEU n 
1 123 GLY n 
1 124 ILE n 
1 125 SER n 
1 126 GLY n 
1 127 ASP n 
1 128 ILE n 
1 129 ASP n 
1 130 LEU n 
1 131 THR n 
1 132 SER n 
1 133 ALA n 
1 134 SER n 
1 135 TYR n 
1 136 THR n 
1 137 MET n 
1 138 ILE n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   138 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
2PE   non-polymer         . 'NONAETHYLENE GLYCOL' ? 'C18 H38 O10'      414.488 
A1H2P non-polymer         . 
;~{N}-~{tert}-butyl-4-[4-[[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]-1,2,3-triazol-1-yl]piperidine-1-carboxamide
;
? 'C28 H37 F3 N8 O5' 622.639 
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        A1H2P 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2P 
_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 A1H2P 1   301 1   A1H2P LIG A . 
C 3 2PE   1   302 2   2PE   2PE A . 
D 4 SCN   1   303 2   SCN   SCN A . 
E 4 SCN   1   304 3   SCN   SCN A . 
F 5 HOH   1   401 120 HOH   HOH A . 
F 5 HOH   2   402 136 HOH   HOH A . 
F 5 HOH   3   403 122 HOH   HOH A . 
F 5 HOH   4   404 141 HOH   HOH A . 
F 5 HOH   5   405 44  HOH   HOH A . 
F 5 HOH   6   406 16  HOH   HOH A . 
F 5 HOH   7   407 142 HOH   HOH A . 
F 5 HOH   8   408 160 HOH   HOH A . 
F 5 HOH   9   409 149 HOH   HOH A . 
F 5 HOH   10  410 23  HOH   HOH A . 
F 5 HOH   11  411 12  HOH   HOH A . 
F 5 HOH   12  412 84  HOH   HOH A . 
F 5 HOH   13  413 119 HOH   HOH A . 
F 5 HOH   14  414 13  HOH   HOH A . 
F 5 HOH   15  415 26  HOH   HOH A . 
F 5 HOH   16  416 75  HOH   HOH A . 
F 5 HOH   17  417 200 HOH   HOH A . 
F 5 HOH   18  418 20  HOH   HOH A . 
F 5 HOH   19  419 42  HOH   HOH A . 
F 5 HOH   20  420 15  HOH   HOH A . 
F 5 HOH   21  421 8   HOH   HOH A . 
F 5 HOH   22  422 103 HOH   HOH A . 
F 5 HOH   23  423 80  HOH   HOH A . 
F 5 HOH   24  424 184 HOH   HOH A . 
F 5 HOH   25  425 38  HOH   HOH A . 
F 5 HOH   26  426 97  HOH   HOH A . 
F 5 HOH   27  427 192 HOH   HOH A . 
F 5 HOH   28  428 140 HOH   HOH A . 
F 5 HOH   29  429 11  HOH   HOH A . 
F 5 HOH   30  430 58  HOH   HOH A . 
F 5 HOH   31  431 164 HOH   HOH A . 
F 5 HOH   32  432 59  HOH   HOH A . 
F 5 HOH   33  433 22  HOH   HOH A . 
F 5 HOH   34  434 40  HOH   HOH A . 
F 5 HOH   35  435 183 HOH   HOH A . 
F 5 HOH   36  436 50  HOH   HOH A . 
F 5 HOH   37  437 57  HOH   HOH A . 
F 5 HOH   38  438 134 HOH   HOH A . 
F 5 HOH   39  439 85  HOH   HOH A . 
F 5 HOH   40  440 9   HOH   HOH A . 
F 5 HOH   41  441 69  HOH   HOH A . 
F 5 HOH   42  442 56  HOH   HOH A . 
F 5 HOH   43  443 45  HOH   HOH A . 
F 5 HOH   44  444 24  HOH   HOH A . 
F 5 HOH   45  445 21  HOH   HOH A . 
F 5 HOH   46  446 18  HOH   HOH A . 
F 5 HOH   47  447 76  HOH   HOH A . 
F 5 HOH   48  448 79  HOH   HOH A . 
F 5 HOH   49  449 171 HOH   HOH A . 
F 5 HOH   50  450 67  HOH   HOH A . 
F 5 HOH   51  451 201 HOH   HOH A . 
F 5 HOH   52  452 82  HOH   HOH A . 
F 5 HOH   53  453 65  HOH   HOH A . 
F 5 HOH   54  454 5   HOH   HOH A . 
F 5 HOH   55  455 55  HOH   HOH A . 
F 5 HOH   56  456 118 HOH   HOH A . 
F 5 HOH   57  457 3   HOH   HOH A . 
F 5 HOH   58  458 104 HOH   HOH A . 
F 5 HOH   59  459 36  HOH   HOH A . 
F 5 HOH   60  460 180 HOH   HOH A . 
F 5 HOH   61  461 35  HOH   HOH A . 
F 5 HOH   62  462 105 HOH   HOH A . 
F 5 HOH   63  463 116 HOH   HOH A . 
F 5 HOH   64  464 115 HOH   HOH A . 
F 5 HOH   65  465 25  HOH   HOH A . 
F 5 HOH   66  466 117 HOH   HOH A . 
F 5 HOH   67  467 98  HOH   HOH A . 
F 5 HOH   68  468 34  HOH   HOH A . 
F 5 HOH   69  469 14  HOH   HOH A . 
F 5 HOH   70  470 146 HOH   HOH A . 
F 5 HOH   71  471 113 HOH   HOH A . 
F 5 HOH   72  472 77  HOH   HOH A . 
F 5 HOH   73  473 126 HOH   HOH A . 
F 5 HOH   74  474 74  HOH   HOH A . 
F 5 HOH   75  475 33  HOH   HOH A . 
F 5 HOH   76  476 88  HOH   HOH A . 
F 5 HOH   77  477 68  HOH   HOH A . 
F 5 HOH   78  478 135 HOH   HOH A . 
F 5 HOH   79  479 39  HOH   HOH A . 
F 5 HOH   80  480 61  HOH   HOH A . 
F 5 HOH   81  481 17  HOH   HOH A . 
F 5 HOH   82  482 78  HOH   HOH A . 
F 5 HOH   83  483 70  HOH   HOH A . 
F 5 HOH   84  484 54  HOH   HOH A . 
F 5 HOH   85  485 151 HOH   HOH A . 
F 5 HOH   86  486 72  HOH   HOH A . 
F 5 HOH   87  487 127 HOH   HOH A . 
F 5 HOH   88  488 73  HOH   HOH A . 
F 5 HOH   89  489 132 HOH   HOH A . 
F 5 HOH   90  490 6   HOH   HOH A . 
F 5 HOH   91  491 144 HOH   HOH A . 
F 5 HOH   92  492 31  HOH   HOH A . 
F 5 HOH   93  493 66  HOH   HOH A . 
F 5 HOH   94  494 1   HOH   HOH A . 
F 5 HOH   95  495 49  HOH   HOH A . 
F 5 HOH   96  496 51  HOH   HOH A . 
F 5 HOH   97  497 60  HOH   HOH A . 
F 5 HOH   98  498 133 HOH   HOH A . 
F 5 HOH   99  499 81  HOH   HOH A . 
F 5 HOH   100 500 123 HOH   HOH A . 
F 5 HOH   101 501 131 HOH   HOH A . 
F 5 HOH   102 502 71  HOH   HOH A . 
F 5 HOH   103 503 7   HOH   HOH A . 
F 5 HOH   104 504 4   HOH   HOH A . 
F 5 HOH   105 505 93  HOH   HOH A . 
F 5 HOH   106 506 128 HOH   HOH A . 
F 5 HOH   107 507 189 HOH   HOH A . 
F 5 HOH   108 508 52  HOH   HOH A . 
F 5 HOH   109 509 64  HOH   HOH A . 
F 5 HOH   110 510 29  HOH   HOH A . 
F 5 HOH   111 511 53  HOH   HOH A . 
F 5 HOH   112 512 30  HOH   HOH A . 
F 5 HOH   113 513 48  HOH   HOH A . 
F 5 HOH   114 514 92  HOH   HOH A . 
F 5 HOH   115 515 165 HOH   HOH A . 
F 5 HOH   116 516 37  HOH   HOH A . 
F 5 HOH   117 517 102 HOH   HOH A . 
F 5 HOH   118 518 199 HOH   HOH A . 
F 5 HOH   119 519 87  HOH   HOH A . 
F 5 HOH   120 520 150 HOH   HOH A . 
F 5 HOH   121 521 170 HOH   HOH A . 
F 5 HOH   122 522 163 HOH   HOH A . 
F 5 HOH   123 523 94  HOH   HOH A . 
F 5 HOH   124 524 157 HOH   HOH A . 
F 5 HOH   125 525 124 HOH   HOH A . 
F 5 HOH   126 526 129 HOH   HOH A . 
F 5 HOH   127 527 83  HOH   HOH A . 
F 5 HOH   128 528 89  HOH   HOH A . 
F 5 HOH   129 529 188 HOH   HOH A . 
F 5 HOH   130 530 159 HOH   HOH A . 
F 5 HOH   131 531 95  HOH   HOH A . 
F 5 HOH   132 532 63  HOH   HOH A . 
F 5 HOH   133 533 181 HOH   HOH A . 
F 5 HOH   134 534 137 HOH   HOH A . 
F 5 HOH   135 535 154 HOH   HOH A . 
F 5 HOH   136 536 86  HOH   HOH A . 
F 5 HOH   137 537 47  HOH   HOH A . 
F 5 HOH   138 538 62  HOH   HOH A . 
F 5 HOH   139 539 130 HOH   HOH A . 
F 5 HOH   140 540 176 HOH   HOH A . 
F 5 HOH   141 541 194 HOH   HOH A . 
F 5 HOH   142 542 19  HOH   HOH A . 
F 5 HOH   143 543 107 HOH   HOH A . 
F 5 HOH   144 544 148 HOH   HOH A . 
F 5 HOH   145 545 158 HOH   HOH A . 
F 5 HOH   146 546 112 HOH   HOH A . 
F 5 HOH   147 547 43  HOH   HOH A . 
F 5 HOH   148 548 161 HOH   HOH A . 
F 5 HOH   149 549 186 HOH   HOH A . 
F 5 HOH   150 550 125 HOH   HOH A . 
F 5 HOH   151 551 196 HOH   HOH A . 
F 5 HOH   152 552 100 HOH   HOH A . 
F 5 HOH   153 553 198 HOH   HOH A . 
F 5 HOH   154 554 27  HOH   HOH A . 
F 5 HOH   155 555 147 HOH   HOH A . 
F 5 HOH   156 556 182 HOH   HOH A . 
F 5 HOH   157 557 114 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 233 ? NZ  ? A LYS 121 NZ  
2  1 N 1 A 2PE 302 ? O13 ? C 2PE 1   O13 
3  1 N 1 A 2PE 302 ? C14 ? C 2PE 1   C14 
4  1 N 1 A 2PE 302 ? C15 ? C 2PE 1   C15 
5  1 N 1 A 2PE 302 ? O16 ? C 2PE 1   O16 
6  1 N 1 A 2PE 302 ? C17 ? C 2PE 1   C17 
7  1 N 1 A 2PE 302 ? C18 ? C 2PE 1   C18 
8  1 N 1 A 2PE 302 ? O19 ? C 2PE 1   O19 
9  1 N 1 A 2PE 302 ? C20 ? C 2PE 1   C20 
10 1 N 1 A 2PE 302 ? C21 ? C 2PE 1   C21 
11 1 N 1 A 2PE 302 ? O22 ? C 2PE 1   O22 
12 1 N 1 A 2PE 302 ? C23 ? C 2PE 1   C23 
13 1 N 1 A 2PE 302 ? C24 ? C 2PE 1   C24 
14 1 N 1 A 2PE 302 ? O25 ? C 2PE 1   O25 
15 1 N 1 A 2PE 302 ? C26 ? C 2PE 1   C26 
16 1 N 1 A 2PE 302 ? C27 ? C 2PE 1   C27 
17 1 N 1 A 2PE 302 ? O28 ? C 2PE 1   O28 
# 
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                     8RRB 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.490 
_cell.length_a_esd                 ? 
_cell.length_b                     56.900 
_cell.length_b_esd                 ? 
_cell.length_c                     61.070 
_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                         8RRB 
_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                   8RRB 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.08 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '2.1 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         2019-08-21 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   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                                       8RRB 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.00 
_reflns.d_resolution_low                               41.63 
_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                                     68875 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.95 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.49 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.057 
_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                                    1.00 
_reflns_shell.d_res_low                                     1.06 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.25 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             10629 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.114 
_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                                  0.532 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          96.1 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.753 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -1.447 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            2.200 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               10.347 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8RRB 
_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                            1.200 
_refine.ls_d_res_low                             41.603 
_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                     40506 
_refine.ls_number_reflns_R_free                  2026 
_refine.ls_number_reflns_R_work                  38480 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.931 
_refine.ls_percent_reflns_R_free                 5.002 
_refine.ls_R_factor_all                          0.162 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1771 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1611 
_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                       0.046 
_refine.pdbx_overall_ESU_R_Free                  0.041 
_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                             1.392 
_refine.overall_SU_ML                            0.028 
_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        1107 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         62 
_refine_hist.number_atoms_solvent             157 
_refine_hist.number_atoms_total               1326 
_refine_hist.d_res_high                       1.200 
_refine_hist.d_res_low                        41.603 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.004  0.012  1298 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1224 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.220  1.852  1777 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.449  1.761  2819 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.854  5.000  158  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 3.340  5.000  10   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.593 10.000 204  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.738 10.000 63   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.061  0.200  183  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.021  0.200  6    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.020  1575 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  313  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.206  0.200  167  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1055 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  571  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.082  0.200  635  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.128  0.200  91   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.127  0.200  7    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  40   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.110  0.200  17   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.335  0.999  607  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.323  0.996  605  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.083  1.792  772  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.084  1.793  773  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.849  1.148  691  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.843  1.148  690  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.885  2.046  1005 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.876  2.044  1004 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 8.120  13.172 1328 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 8.130  13.176 1329 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.333  3.000  2522 ? 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' 1.200 1.231  2959 . 148 2810 99.9662  . 0.188 . . 0.187 . . . . . 0.159 . 20 . 0.980 0.981 0.194 
'X-RAY DIFFRACTION' 1.231 1.265  2893 . 144 2748 99.9654  . 0.182 . . 0.181 . . . . . 0.152 . 20 . 0.981 0.975 0.208 
'X-RAY DIFFRACTION' 1.265 1.301  2810 . 141 2667 99.9288  . 0.166 . . 0.166 . . . . . 0.139 . 20 . 0.984 0.981 0.173 
'X-RAY DIFFRACTION' 1.301 1.341  2693 . 134 2558 99.9629  . 0.160 . . 0.160 . . . . . 0.135 . 20 . 0.986 0.984 0.157 
'X-RAY DIFFRACTION' 1.341 1.385  2646 . 133 2513 100.0000 . 0.165 . . 0.163 . . . . . 0.137 . 20 . 0.985 0.981 0.189 
'X-RAY DIFFRACTION' 1.385 1.434  2539 . 127 2412 100.0000 . 0.161 . . 0.161 . . . . . 0.136 . 20 . 0.986 0.979 0.160 
'X-RAY DIFFRACTION' 1.434 1.488  2480 . 124 2356 100.0000 . 0.149 . . 0.148 . . . . . 0.124 . 20 . 0.988 0.986 0.186 
'X-RAY DIFFRACTION' 1.488 1.549  2377 . 118 2258 99.9579  . 0.147 . . 0.146 . . . . . 0.127 . 20 . 0.989 0.982 0.181 
'X-RAY DIFFRACTION' 1.549 1.618  2292 . 115 2177 100.0000 . 0.148 . . 0.147 . . . . . 0.128 . 20 . 0.988 0.983 0.162 
'X-RAY DIFFRACTION' 1.618 1.696  2192 . 110 2082 100.0000 . 0.148 . . 0.145 . . . . . 0.129 . 20 . 0.988 0.980 0.189 
'X-RAY DIFFRACTION' 1.696 1.788  2104 . 105 1998 99.9525  . 0.147 . . 0.147 . . . . . 0.134 . 20 . 0.987 0.987 0.141 
'X-RAY DIFFRACTION' 1.788 1.896  1969 . 98  1871 100.0000 . 0.146 . . 0.145 . . . . . 0.138 . 20 . 0.988 0.986 0.158 
'X-RAY DIFFRACTION' 1.896 2.027  1887 . 94  1791 99.8940  . 0.140 . . 0.139 . . . . . 0.139 . 20 . 0.989 0.982 0.157 
'X-RAY DIFFRACTION' 2.027 2.189  1733 . 87  1644 99.8846  . 0.145 . . 0.144 . . . . . 0.148 . 20 . 0.989 0.987 0.160 
'X-RAY DIFFRACTION' 2.189 2.397  1610 . 80  1530 100.0000 . 0.149 . . 0.148 . . . . . 0.157 . 20 . 0.986 0.981 0.173 
'X-RAY DIFFRACTION' 2.397 2.679  1468 . 74  1391 99.7956  . 0.174 . . 0.174 . . . . . 0.185 . 20 . 0.982 0.980 0.183 
'X-RAY DIFFRACTION' 2.679 3.091  1319 . 66  1251 99.8484  . 0.169 . . 0.169 . . . . . 0.189 . 20 . 0.982 0.980 0.180 
'X-RAY DIFFRACTION' 3.091 3.781  1122 . 56  1065 99.9109  . 0.171 . . 0.170 . . . . . 0.198 . 20 . 0.982 0.978 0.195 
'X-RAY DIFFRACTION' 3.781 5.325  888  . 44  842  99.7748  . 0.161 . . 0.161 . . . . . 0.194 . 20 . 0.984 0.983 0.163 
'X-RAY DIFFRACTION' 5.325 41.603 540  . 27  505  98.5185  . 0.248 . . 0.248 . . . . . 0.304 . 20 . 0.954 0.977 0.246 
# 
_struct.entry_id                     8RRB 
_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        8RRB 
_struct_keywords.text            'Inhibitor, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RRB 
_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)' 1730 ? 
1 MORE         -2   ? 
1 'SSA (A^2)'  7140 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        115 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        119 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    5 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     117 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       2.09 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA1 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA1 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA1 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA1 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA1 6 ASN A 68  ? TRP A 69  ? ASN A 180 TRP A 181 
AA2 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA2 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA2 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA2 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA2 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA2 6 GLU A 73  ? GLN A 75  ? GLU A 185 GLN A 187 
AA3 1 ALA A 104 ? ASN A 110 ? ALA A 216 ASN A 222 
AA3 2 HIS A 96  ? VAL A 101 ? HIS A 208 VAL A 213 
AA3 3 PRO A 85  ? VAL A 92  ? PRO A 197 VAL A 204 
AA3 4 MET A 18  ? VAL A 26  ? MET A 130 VAL A 138 
AA3 5 ILE A 128 ? MET A 137 ? ILE A 240 MET A 249 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA1 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA1 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA1 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA1 5 6 N LEU A 65  ? N LEU A 177 O ASN A 68  ? O ASN A 180 
AA2 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA2 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 107 ? O LEU A 219 N VAL A 99  ? N VAL A 211 
AA3 2 3 O LYS A 98  ? O LYS A 210 N LEU A 91  ? N LEU A 203 
AA3 3 4 O VAL A 90  ? O VAL A 202 N ILE A 20  ? N ILE A 132 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RRB 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   ND1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HIS 
_pdbx_validate_close_contact.auth_seq_id_1    208 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_pdbx_validate_close_contact.auth_atom_id_2   OD1 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   ASN 
_pdbx_validate_close_contact.auth_seq_id_2    222 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.04 
# 
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 ? A 83.78   4.72  
2 1 ARG A 129 ? B 86.68   -3.84 
3 1 ASN A 164 ? ? -153.83 73.66 
# 
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 
2PE   O1    O N N 1   
2PE   C2    C N N 2   
2PE   C3    C N N 3   
2PE   O4    O N N 4   
2PE   C5    C N N 5   
2PE   C6    C N N 6   
2PE   O7    O N N 7   
2PE   C8    C N N 8   
2PE   C9    C N N 9   
2PE   O10   O N N 10  
2PE   C11   C N N 11  
2PE   C12   C N N 12  
2PE   O13   O N N 13  
2PE   C14   C N N 14  
2PE   C15   C N N 15  
2PE   O16   O N N 16  
2PE   C17   C N N 17  
2PE   C18   C N N 18  
2PE   O19   O N N 19  
2PE   C20   C N N 20  
2PE   C21   C N N 21  
2PE   O22   O N N 22  
2PE   C23   C N N 23  
2PE   C24   C N N 24  
2PE   O25   O N N 25  
2PE   C26   C N N 26  
2PE   C27   C N N 27  
2PE   O28   O N N 28  
2PE   HO1   H N N 29  
2PE   H21   H N N 30  
2PE   H22   H N N 31  
2PE   H31   H N N 32  
2PE   H32   H N N 33  
2PE   H51   H N N 34  
2PE   H52   H N N 35  
2PE   H61   H N N 36  
2PE   H62   H N N 37  
2PE   H81   H N N 38  
2PE   H82   H N N 39  
2PE   H91   H N N 40  
2PE   H92   H N N 41  
2PE   H111  H N N 42  
2PE   H112  H N N 43  
2PE   H121  H N N 44  
2PE   H122  H N N 45  
2PE   H141  H N N 46  
2PE   H142  H N N 47  
2PE   H151  H N N 48  
2PE   H152  H N N 49  
2PE   H171  H N N 50  
2PE   H172  H N N 51  
2PE   H181  H N N 52  
2PE   H182  H N N 53  
2PE   H201  H N N 54  
2PE   H202  H N N 55  
2PE   H211  H N N 56  
2PE   H212  H N N 57  
2PE   H231  H N N 58  
2PE   H232  H N N 59  
2PE   H241  H N N 60  
2PE   H242  H N N 61  
2PE   H261  H N N 62  
2PE   H262  H N N 63  
2PE   H271  H N N 64  
2PE   H272  H N N 65  
2PE   HO2   H N N 66  
A1H2P N1    N N N 67  
A1H2P N3    N Y N 68  
A1H2P C4    C N N 69  
A1H2P C6    C N N 70  
A1H2P C7    C N N 71  
A1H2P C8    C N N 72  
A1H2P C17   C Y N 73  
A1H2P C20   C Y N 74  
A1H2P C21   C Y N 75  
A1H2P C22   C Y N 76  
A1H2P C24   C N N 77  
A1H2P C26   C N N 78  
A1H2P C28   C Y N 79  
A1H2P C1    C N N 80  
A1H2P C2    C N N 81  
A1H2P C3    C N N 82  
A1H2P CAB   C N N 83  
A1H2P NAA   N N N 84  
A1H2P CAA   C N N 85  
A1H2P C9    C N N 86  
A1H2P N4    N Y N 87  
A1H2P N2    N Y N 88  
A1H2P C11   C Y N 89  
A1H2P "C1'" C N N 90  
A1H2P "C2'" C N R 91  
A1H2P "C3'" C N R 92  
A1H2P "C4'" C N S 93  
A1H2P N6    N Y N 94  
A1H2P N7    N Y N 95  
A1H2P N8    N Y N 96  
A1H2P C16   C Y N 97  
A1H2P C18   C Y N 98  
A1H2P C19   C Y N 99  
A1H2P F1    F N N 100 
A1H2P F2    F N N 101 
A1H2P F3    F N N 102 
A1H2P C23   C Y N 103 
A1H2P "O3'" O N N 104 
A1H2P "O2'" O N N 105 
A1H2P C25   C N R 106 
A1H2P OP3   O N N 107 
A1H2P "C5'" C N R 108 
A1H2P "O5'" O N N 109 
A1H2P O6    O N N 110 
A1H2P H10   H N N 111 
A1H2P H19   H N N 112 
A1H2P H14   H N N 113 
A1H2P H13   H N N 114 
A1H2P H16   H N N 115 
A1H2P H15   H N N 116 
A1H2P H26   H N N 117 
A1H2P H29   H N N 118 
A1H2P H30   H N N 119 
A1H2P H28   H N N 120 
A1H2P H32   H N N 121 
A1H2P H33   H N N 122 
A1H2P H37   H N N 123 
A1H2P H1    H N N 124 
A1H2P H2    H N N 125 
A1H2P H3    H N N 126 
A1H2P H6    H N N 127 
A1H2P H5    H N N 128 
A1H2P H4    H N N 129 
A1H2P H8    H N N 130 
A1H2P H9    H N N 131 
A1H2P H7    H N N 132 
A1H2P H11   H N N 133 
A1H2P H12   H N N 134 
A1H2P H18   H N N 135 
A1H2P H17   H N N 136 
A1H2P H20   H N N 137 
A1H2P H21   H N N 138 
A1H2P H22   H N N 139 
A1H2P H23   H N N 140 
A1H2P H24   H N N 141 
A1H2P H25   H N N 142 
A1H2P H27   H N N 143 
A1H2P H31   H N N 144 
A1H2P H34   H N N 145 
A1H2P H35   H N N 146 
A1H2P H36   H N N 147 
ALA   N     N N N 148 
ALA   CA    C N S 149 
ALA   C     C N N 150 
ALA   O     O N N 151 
ALA   CB    C N N 152 
ALA   OXT   O N N 153 
ALA   H     H N N 154 
ALA   H2    H N N 155 
ALA   HA    H N N 156 
ALA   HB1   H N N 157 
ALA   HB2   H N N 158 
ALA   HB3   H N N 159 
ALA   HXT   H N N 160 
ARG   N     N N N 161 
ARG   CA    C N S 162 
ARG   C     C N N 163 
ARG   O     O N N 164 
ARG   CB    C N N 165 
ARG   CG    C N N 166 
ARG   CD    C N N 167 
ARG   NE    N N N 168 
ARG   CZ    C N N 169 
ARG   NH1   N N N 170 
ARG   NH2   N N N 171 
ARG   OXT   O N N 172 
ARG   H     H N N 173 
ARG   H2    H N N 174 
ARG   HA    H N N 175 
ARG   HB2   H N N 176 
ARG   HB3   H N N 177 
ARG   HG2   H N N 178 
ARG   HG3   H N N 179 
ARG   HD2   H N N 180 
ARG   HD3   H N N 181 
ARG   HE    H N N 182 
ARG   HH11  H N N 183 
ARG   HH12  H N N 184 
ARG   HH21  H N N 185 
ARG   HH22  H N N 186 
ARG   HXT   H N N 187 
ASN   N     N N N 188 
ASN   CA    C N S 189 
ASN   C     C N N 190 
ASN   O     O N N 191 
ASN   CB    C N N 192 
ASN   CG    C N N 193 
ASN   OD1   O N N 194 
ASN   ND2   N N N 195 
ASN   OXT   O N N 196 
ASN   H     H N N 197 
ASN   H2    H N N 198 
ASN   HA    H N N 199 
ASN   HB2   H N N 200 
ASN   HB3   H N N 201 
ASN   HD21  H N N 202 
ASN   HD22  H N N 203 
ASN   HXT   H N N 204 
ASP   N     N N N 205 
ASP   CA    C N S 206 
ASP   C     C N N 207 
ASP   O     O N N 208 
ASP   CB    C N N 209 
ASP   CG    C N N 210 
ASP   OD1   O N N 211 
ASP   OD2   O N N 212 
ASP   OXT   O N N 213 
ASP   H     H N N 214 
ASP   H2    H N N 215 
ASP   HA    H N N 216 
ASP   HB2   H N N 217 
ASP   HB3   H N N 218 
ASP   HD2   H N N 219 
ASP   HXT   H N N 220 
CYS   N     N N N 221 
CYS   CA    C N R 222 
CYS   C     C N N 223 
CYS   O     O N N 224 
CYS   CB    C N N 225 
CYS   SG    S N N 226 
CYS   OXT   O N N 227 
CYS   H     H N N 228 
CYS   H2    H N N 229 
CYS   HA    H N N 230 
CYS   HB2   H N N 231 
CYS   HB3   H N N 232 
CYS   HG    H N N 233 
CYS   HXT   H N N 234 
GLN   N     N N N 235 
GLN   CA    C N S 236 
GLN   C     C N N 237 
GLN   O     O N N 238 
GLN   CB    C N N 239 
GLN   CG    C N N 240 
GLN   CD    C N N 241 
GLN   OE1   O N N 242 
GLN   NE2   N N N 243 
GLN   OXT   O N N 244 
GLN   H     H N N 245 
GLN   H2    H N N 246 
GLN   HA    H N N 247 
GLN   HB2   H N N 248 
GLN   HB3   H N N 249 
GLN   HG2   H N N 250 
GLN   HG3   H N N 251 
GLN   HE21  H N N 252 
GLN   HE22  H N N 253 
GLN   HXT   H N N 254 
GLU   N     N N N 255 
GLU   CA    C N S 256 
GLU   C     C N N 257 
GLU   O     O N N 258 
GLU   CB    C N N 259 
GLU   CG    C N N 260 
GLU   CD    C N N 261 
GLU   OE1   O N N 262 
GLU   OE2   O N N 263 
GLU   OXT   O N N 264 
GLU   H     H N N 265 
GLU   H2    H N N 266 
GLU   HA    H N N 267 
GLU   HB2   H N N 268 
GLU   HB3   H N N 269 
GLU   HG2   H N N 270 
GLU   HG3   H N N 271 
GLU   HE2   H N N 272 
GLU   HXT   H N N 273 
GLY   N     N N N 274 
GLY   CA    C N N 275 
GLY   C     C N N 276 
GLY   O     O N N 277 
GLY   OXT   O N N 278 
GLY   H     H N N 279 
GLY   H2    H N N 280 
GLY   HA2   H N N 281 
GLY   HA3   H N N 282 
GLY   HXT   H N N 283 
HIS   N     N N N 284 
HIS   CA    C N S 285 
HIS   C     C N N 286 
HIS   O     O N N 287 
HIS   CB    C N N 288 
HIS   CG    C Y N 289 
HIS   ND1   N Y N 290 
HIS   CD2   C Y N 291 
HIS   CE1   C Y N 292 
HIS   NE2   N Y N 293 
HIS   OXT   O N N 294 
HIS   H     H N N 295 
HIS   H2    H N N 296 
HIS   HA    H N N 297 
HIS   HB2   H N N 298 
HIS   HB3   H N N 299 
HIS   HD1   H N N 300 
HIS   HD2   H N N 301 
HIS   HE1   H N N 302 
HIS   HE2   H N N 303 
HIS   HXT   H N N 304 
HOH   O     O N N 305 
HOH   H1    H N N 306 
HOH   H2    H N N 307 
ILE   N     N N N 308 
ILE   CA    C N S 309 
ILE   C     C N N 310 
ILE   O     O N N 311 
ILE   CB    C N S 312 
ILE   CG1   C N N 313 
ILE   CG2   C N N 314 
ILE   CD1   C N N 315 
ILE   OXT   O N N 316 
ILE   H     H N N 317 
ILE   H2    H N N 318 
ILE   HA    H N N 319 
ILE   HB    H N N 320 
ILE   HG12  H N N 321 
ILE   HG13  H N N 322 
ILE   HG21  H N N 323 
ILE   HG22  H N N 324 
ILE   HG23  H N N 325 
ILE   HD11  H N N 326 
ILE   HD12  H N N 327 
ILE   HD13  H N N 328 
ILE   HXT   H N N 329 
LEU   N     N N N 330 
LEU   CA    C N S 331 
LEU   C     C N N 332 
LEU   O     O N N 333 
LEU   CB    C N N 334 
LEU   CG    C N N 335 
LEU   CD1   C N N 336 
LEU   CD2   C N N 337 
LEU   OXT   O N N 338 
LEU   H     H N N 339 
LEU   H2    H N N 340 
LEU   HA    H N N 341 
LEU   HB2   H N N 342 
LEU   HB3   H N N 343 
LEU   HG    H N N 344 
LEU   HD11  H N N 345 
LEU   HD12  H N N 346 
LEU   HD13  H N N 347 
LEU   HD21  H N N 348 
LEU   HD22  H N N 349 
LEU   HD23  H N N 350 
LEU   HXT   H N N 351 
LYS   N     N N N 352 
LYS   CA    C N S 353 
LYS   C     C N N 354 
LYS   O     O N N 355 
LYS   CB    C N N 356 
LYS   CG    C N N 357 
LYS   CD    C N N 358 
LYS   CE    C N N 359 
LYS   NZ    N N N 360 
LYS   OXT   O N N 361 
LYS   H     H N N 362 
LYS   H2    H N N 363 
LYS   HA    H N N 364 
LYS   HB2   H N N 365 
LYS   HB3   H N N 366 
LYS   HG2   H N N 367 
LYS   HG3   H N N 368 
LYS   HD2   H N N 369 
LYS   HD3   H N N 370 
LYS   HE2   H N N 371 
LYS   HE3   H N N 372 
LYS   HZ1   H N N 373 
LYS   HZ2   H N N 374 
LYS   HZ3   H N N 375 
LYS   HXT   H N N 376 
MET   N     N N N 377 
MET   CA    C N S 378 
MET   C     C N N 379 
MET   O     O N N 380 
MET   CB    C N N 381 
MET   CG    C N N 382 
MET   SD    S N N 383 
MET   CE    C N N 384 
MET   OXT   O N N 385 
MET   H     H N N 386 
MET   H2    H N N 387 
MET   HA    H N N 388 
MET   HB2   H N N 389 
MET   HB3   H N N 390 
MET   HG2   H N N 391 
MET   HG3   H N N 392 
MET   HE1   H N N 393 
MET   HE2   H N N 394 
MET   HE3   H N N 395 
MET   HXT   H N N 396 
PHE   N     N N N 397 
PHE   CA    C N S 398 
PHE   C     C N N 399 
PHE   O     O N N 400 
PHE   CB    C N N 401 
PHE   CG    C Y N 402 
PHE   CD1   C Y N 403 
PHE   CD2   C Y N 404 
PHE   CE1   C Y N 405 
PHE   CE2   C Y N 406 
PHE   CZ    C Y N 407 
PHE   OXT   O N N 408 
PHE   H     H N N 409 
PHE   H2    H N N 410 
PHE   HA    H N N 411 
PHE   HB2   H N N 412 
PHE   HB3   H N N 413 
PHE   HD1   H N N 414 
PHE   HD2   H N N 415 
PHE   HE1   H N N 416 
PHE   HE2   H N N 417 
PHE   HZ    H N N 418 
PHE   HXT   H N N 419 
PRO   N     N N N 420 
PRO   CA    C N S 421 
PRO   C     C N N 422 
PRO   O     O N N 423 
PRO   CB    C N N 424 
PRO   CG    C N N 425 
PRO   CD    C N N 426 
PRO   OXT   O N N 427 
PRO   H     H N N 428 
PRO   HA    H N N 429 
PRO   HB2   H N N 430 
PRO   HB3   H N N 431 
PRO   HG2   H N N 432 
PRO   HG3   H N N 433 
PRO   HD2   H N N 434 
PRO   HD3   H N N 435 
PRO   HXT   H N N 436 
SCN   S     S N N 437 
SCN   C     C N N 438 
SCN   N     N N N 439 
SER   N     N N N 440 
SER   CA    C N S 441 
SER   C     C N N 442 
SER   O     O N N 443 
SER   CB    C N N 444 
SER   OG    O N N 445 
SER   OXT   O N N 446 
SER   H     H N N 447 
SER   H2    H N N 448 
SER   HA    H N N 449 
SER   HB2   H N N 450 
SER   HB3   H N N 451 
SER   HG    H N N 452 
SER   HXT   H N N 453 
THR   N     N N N 454 
THR   CA    C N S 455 
THR   C     C N N 456 
THR   O     O N N 457 
THR   CB    C N R 458 
THR   OG1   O N N 459 
THR   CG2   C N N 460 
THR   OXT   O N N 461 
THR   H     H N N 462 
THR   H2    H N N 463 
THR   HA    H N N 464 
THR   HB    H N N 465 
THR   HG1   H N N 466 
THR   HG21  H N N 467 
THR   HG22  H N N 468 
THR   HG23  H N N 469 
THR   HXT   H N N 470 
TRP   N     N N N 471 
TRP   CA    C N S 472 
TRP   C     C N N 473 
TRP   O     O N N 474 
TRP   CB    C N N 475 
TRP   CG    C Y N 476 
TRP   CD1   C Y N 477 
TRP   CD2   C Y N 478 
TRP   NE1   N Y N 479 
TRP   CE2   C Y N 480 
TRP   CE3   C Y N 481 
TRP   CZ2   C Y N 482 
TRP   CZ3   C Y N 483 
TRP   CH2   C Y N 484 
TRP   OXT   O N N 485 
TRP   H     H N N 486 
TRP   H2    H N N 487 
TRP   HA    H N N 488 
TRP   HB2   H N N 489 
TRP   HB3   H N N 490 
TRP   HD1   H N N 491 
TRP   HE1   H N N 492 
TRP   HE3   H N N 493 
TRP   HZ2   H N N 494 
TRP   HZ3   H N N 495 
TRP   HH2   H N N 496 
TRP   HXT   H N N 497 
TYR   N     N N N 498 
TYR   CA    C N S 499 
TYR   C     C N N 500 
TYR   O     O N N 501 
TYR   CB    C N N 502 
TYR   CG    C Y N 503 
TYR   CD1   C Y N 504 
TYR   CD2   C Y N 505 
TYR   CE1   C Y N 506 
TYR   CE2   C Y N 507 
TYR   CZ    C Y N 508 
TYR   OH    O N N 509 
TYR   OXT   O N N 510 
TYR   H     H N N 511 
TYR   H2    H N N 512 
TYR   HA    H N N 513 
TYR   HB2   H N N 514 
TYR   HB3   H N N 515 
TYR   HD1   H N N 516 
TYR   HD2   H N N 517 
TYR   HE1   H N N 518 
TYR   HE2   H N N 519 
TYR   HH    H N N 520 
TYR   HXT   H N N 521 
VAL   N     N N N 522 
VAL   CA    C N S 523 
VAL   C     C N N 524 
VAL   O     O N N 525 
VAL   CB    C N N 526 
VAL   CG1   C N N 527 
VAL   CG2   C N N 528 
VAL   OXT   O N N 529 
VAL   H     H N N 530 
VAL   H2    H N N 531 
VAL   HA    H N N 532 
VAL   HB    H N N 533 
VAL   HG11  H N N 534 
VAL   HG12  H N N 535 
VAL   HG13  H N N 536 
VAL   HG21  H N N 537 
VAL   HG22  H N N 538 
VAL   HG23  H N N 539 
VAL   HXT   H N N 540 
# 
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 
2PE   O1    C2    sing N N 1   
2PE   O1    HO1   sing N N 2   
2PE   C2    C3    sing N N 3   
2PE   C2    H21   sing N N 4   
2PE   C2    H22   sing N N 5   
2PE   C3    O4    sing N N 6   
2PE   C3    H31   sing N N 7   
2PE   C3    H32   sing N N 8   
2PE   O4    C5    sing N N 9   
2PE   C5    C6    sing N N 10  
2PE   C5    H51   sing N N 11  
2PE   C5    H52   sing N N 12  
2PE   C6    O7    sing N N 13  
2PE   C6    H61   sing N N 14  
2PE   C6    H62   sing N N 15  
2PE   O7    C8    sing N N 16  
2PE   C8    C9    sing N N 17  
2PE   C8    H81   sing N N 18  
2PE   C8    H82   sing N N 19  
2PE   C9    O10   sing N N 20  
2PE   C9    H91   sing N N 21  
2PE   C9    H92   sing N N 22  
2PE   O10   C11   sing N N 23  
2PE   C11   C12   sing N N 24  
2PE   C11   H111  sing N N 25  
2PE   C11   H112  sing N N 26  
2PE   C12   O13   sing N N 27  
2PE   C12   H121  sing N N 28  
2PE   C12   H122  sing N N 29  
2PE   O13   C14   sing N N 30  
2PE   C14   C15   sing N N 31  
2PE   C14   H141  sing N N 32  
2PE   C14   H142  sing N N 33  
2PE   C15   O16   sing N N 34  
2PE   C15   H151  sing N N 35  
2PE   C15   H152  sing N N 36  
2PE   O16   C17   sing N N 37  
2PE   C17   C18   sing N N 38  
2PE   C17   H171  sing N N 39  
2PE   C17   H172  sing N N 40  
2PE   C18   O19   sing N N 41  
2PE   C18   H181  sing N N 42  
2PE   C18   H182  sing N N 43  
2PE   O19   C20   sing N N 44  
2PE   C20   C21   sing N N 45  
2PE   C20   H201  sing N N 46  
2PE   C20   H202  sing N N 47  
2PE   C21   O22   sing N N 48  
2PE   C21   H211  sing N N 49  
2PE   C21   H212  sing N N 50  
2PE   O22   C23   sing N N 51  
2PE   C23   C24   sing N N 52  
2PE   C23   H231  sing N N 53  
2PE   C23   H232  sing N N 54  
2PE   C24   O25   sing N N 55  
2PE   C24   H241  sing N N 56  
2PE   C24   H242  sing N N 57  
2PE   O25   C26   sing N N 58  
2PE   C26   C27   sing N N 59  
2PE   C26   H261  sing N N 60  
2PE   C26   H262  sing N N 61  
2PE   C27   O28   sing N N 62  
2PE   C27   H271  sing N N 63  
2PE   C27   H272  sing N N 64  
2PE   O28   HO2   sing N N 65  
A1H2P N2    N4    doub Y N 66  
A1H2P N2    C11   sing Y N 67  
A1H2P N4    N3    sing Y N 68  
A1H2P C11   "C1'" sing N N 69  
A1H2P C11   C28   doub Y N 70  
A1H2P N3    C4    sing N N 71  
A1H2P N3    C28   sing Y N 72  
A1H2P "C1'" "C2'" sing N N 73  
A1H2P C4    C7    sing N N 74  
A1H2P C4    C9    sing N N 75  
A1H2P N7    N8    doub Y N 76  
A1H2P N7    N6    sing Y N 77  
A1H2P "O3'" C24   sing N N 78  
A1H2P "O3'" "C3'" sing N N 79  
A1H2P C7    CAA   sing N N 80  
A1H2P N8    C16   sing Y N 81  
A1H2P CAA   NAA   sing N N 82  
A1H2P "C4'" N6    sing N N 83  
A1H2P "C4'" "C3'" sing N N 84  
A1H2P "C4'" "C5'" sing N N 85  
A1H2P C9    C8    sing N N 86  
A1H2P "C2'" "C3'" sing N N 87  
A1H2P "C2'" "O2'" sing N N 88  
A1H2P N6    C23   sing Y N 89  
A1H2P C8    NAA   sing N N 90  
A1H2P C25   "C5'" sing N N 91  
A1H2P C25   "O2'" sing N N 92  
A1H2P C25   C26   sing N N 93  
A1H2P C16   C23   doub Y N 94  
A1H2P C16   C17   sing N N 95  
A1H2P NAA   C6    sing N N 96  
A1H2P "C5'" "O5'" sing N N 97  
A1H2P C18   C17   doub Y N 98  
A1H2P C18   C19   sing Y N 99  
A1H2P F1    C19   sing N N 100 
A1H2P OP3   C26   sing N N 101 
A1H2P C17   C20   sing Y N 102 
A1H2P C19   C22   doub Y N 103 
A1H2P C6    O6    doub N N 104 
A1H2P C6    N1    sing N N 105 
A1H2P N1    C2    sing N N 106 
A1H2P C20   C21   doub Y N 107 
A1H2P C22   C21   sing Y N 108 
A1H2P C22   F3    sing N N 109 
A1H2P C1    C2    sing N N 110 
A1H2P C21   F2    sing N N 111 
A1H2P C2    C3    sing N N 112 
A1H2P C2    CAB   sing N N 113 
A1H2P N1    H10   sing N N 114 
A1H2P C4    H19   sing N N 115 
A1H2P C7    H14   sing N N 116 
A1H2P C7    H13   sing N N 117 
A1H2P C8    H16   sing N N 118 
A1H2P C8    H15   sing N N 119 
A1H2P C20   H26   sing N N 120 
A1H2P C24   H29   sing N N 121 
A1H2P C24   H30   sing N N 122 
A1H2P C24   H28   sing N N 123 
A1H2P C26   H32   sing N N 124 
A1H2P C26   H33   sing N N 125 
A1H2P C28   H37   sing N N 126 
A1H2P C1    H1    sing N N 127 
A1H2P C1    H2    sing N N 128 
A1H2P C1    H3    sing N N 129 
A1H2P C3    H6    sing N N 130 
A1H2P C3    H5    sing N N 131 
A1H2P C3    H4    sing N N 132 
A1H2P CAB   H8    sing N N 133 
A1H2P CAB   H9    sing N N 134 
A1H2P CAB   H7    sing N N 135 
A1H2P CAA   H11   sing N N 136 
A1H2P CAA   H12   sing N N 137 
A1H2P C9    H18   sing N N 138 
A1H2P C9    H17   sing N N 139 
A1H2P "C1'" H20   sing N N 140 
A1H2P "C1'" H21   sing N N 141 
A1H2P "C2'" H22   sing N N 142 
A1H2P "C3'" H23   sing N N 143 
A1H2P "C4'" H24   sing N N 144 
A1H2P C18   H25   sing N N 145 
A1H2P C23   H27   sing N N 146 
A1H2P C25   H31   sing N N 147 
A1H2P OP3   H34   sing N N 148 
A1H2P "C5'" H35   sing N N 149 
A1H2P "O5'" H36   sing N N 150 
ALA   N     CA    sing N N 151 
ALA   N     H     sing N N 152 
ALA   N     H2    sing N N 153 
ALA   CA    C     sing N N 154 
ALA   CA    CB    sing N N 155 
ALA   CA    HA    sing N N 156 
ALA   C     O     doub N N 157 
ALA   C     OXT   sing N N 158 
ALA   CB    HB1   sing N N 159 
ALA   CB    HB2   sing N N 160 
ALA   CB    HB3   sing N N 161 
ALA   OXT   HXT   sing N N 162 
ARG   N     CA    sing N N 163 
ARG   N     H     sing N N 164 
ARG   N     H2    sing N N 165 
ARG   CA    C     sing N N 166 
ARG   CA    CB    sing N N 167 
ARG   CA    HA    sing N N 168 
ARG   C     O     doub N N 169 
ARG   C     OXT   sing N N 170 
ARG   CB    CG    sing N N 171 
ARG   CB    HB2   sing N N 172 
ARG   CB    HB3   sing N N 173 
ARG   CG    CD    sing N N 174 
ARG   CG    HG2   sing N N 175 
ARG   CG    HG3   sing N N 176 
ARG   CD    NE    sing N N 177 
ARG   CD    HD2   sing N N 178 
ARG   CD    HD3   sing N N 179 
ARG   NE    CZ    sing N N 180 
ARG   NE    HE    sing N N 181 
ARG   CZ    NH1   sing N N 182 
ARG   CZ    NH2   doub N N 183 
ARG   NH1   HH11  sing N N 184 
ARG   NH1   HH12  sing N N 185 
ARG   NH2   HH21  sing N N 186 
ARG   NH2   HH22  sing N N 187 
ARG   OXT   HXT   sing N N 188 
ASN   N     CA    sing N N 189 
ASN   N     H     sing N N 190 
ASN   N     H2    sing N N 191 
ASN   CA    C     sing N N 192 
ASN   CA    CB    sing N N 193 
ASN   CA    HA    sing N N 194 
ASN   C     O     doub N N 195 
ASN   C     OXT   sing N N 196 
ASN   CB    CG    sing N N 197 
ASN   CB    HB2   sing N N 198 
ASN   CB    HB3   sing N N 199 
ASN   CG    OD1   doub N N 200 
ASN   CG    ND2   sing N N 201 
ASN   ND2   HD21  sing N N 202 
ASN   ND2   HD22  sing N N 203 
ASN   OXT   HXT   sing N N 204 
ASP   N     CA    sing N N 205 
ASP   N     H     sing N N 206 
ASP   N     H2    sing N N 207 
ASP   CA    C     sing N N 208 
ASP   CA    CB    sing N N 209 
ASP   CA    HA    sing N N 210 
ASP   C     O     doub N N 211 
ASP   C     OXT   sing N N 212 
ASP   CB    CG    sing N N 213 
ASP   CB    HB2   sing N N 214 
ASP   CB    HB3   sing N N 215 
ASP   CG    OD1   doub N N 216 
ASP   CG    OD2   sing N N 217 
ASP   OD2   HD2   sing N N 218 
ASP   OXT   HXT   sing N N 219 
CYS   N     CA    sing N N 220 
CYS   N     H     sing N N 221 
CYS   N     H2    sing N N 222 
CYS   CA    C     sing N N 223 
CYS   CA    CB    sing N N 224 
CYS   CA    HA    sing N N 225 
CYS   C     O     doub N N 226 
CYS   C     OXT   sing N N 227 
CYS   CB    SG    sing N N 228 
CYS   CB    HB2   sing N N 229 
CYS   CB    HB3   sing N N 230 
CYS   SG    HG    sing N N 231 
CYS   OXT   HXT   sing N N 232 
GLN   N     CA    sing N N 233 
GLN   N     H     sing N N 234 
GLN   N     H2    sing N N 235 
GLN   CA    C     sing N N 236 
GLN   CA    CB    sing N N 237 
GLN   CA    HA    sing N N 238 
GLN   C     O     doub N N 239 
GLN   C     OXT   sing N N 240 
GLN   CB    CG    sing N N 241 
GLN   CB    HB2   sing N N 242 
GLN   CB    HB3   sing N N 243 
GLN   CG    CD    sing N N 244 
GLN   CG    HG2   sing N N 245 
GLN   CG    HG3   sing N N 246 
GLN   CD    OE1   doub N N 247 
GLN   CD    NE2   sing N N 248 
GLN   NE2   HE21  sing N N 249 
GLN   NE2   HE22  sing N N 250 
GLN   OXT   HXT   sing N N 251 
GLU   N     CA    sing N N 252 
GLU   N     H     sing N N 253 
GLU   N     H2    sing N N 254 
GLU   CA    C     sing N N 255 
GLU   CA    CB    sing N N 256 
GLU   CA    HA    sing N N 257 
GLU   C     O     doub N N 258 
GLU   C     OXT   sing N N 259 
GLU   CB    CG    sing N N 260 
GLU   CB    HB2   sing N N 261 
GLU   CB    HB3   sing N N 262 
GLU   CG    CD    sing N N 263 
GLU   CG    HG2   sing N N 264 
GLU   CG    HG3   sing N N 265 
GLU   CD    OE1   doub N N 266 
GLU   CD    OE2   sing N N 267 
GLU   OE2   HE2   sing N N 268 
GLU   OXT   HXT   sing N N 269 
GLY   N     CA    sing N N 270 
GLY   N     H     sing N N 271 
GLY   N     H2    sing N N 272 
GLY   CA    C     sing N N 273 
GLY   CA    HA2   sing N N 274 
GLY   CA    HA3   sing N N 275 
GLY   C     O     doub N N 276 
GLY   C     OXT   sing N N 277 
GLY   OXT   HXT   sing N N 278 
HIS   N     CA    sing N N 279 
HIS   N     H     sing N N 280 
HIS   N     H2    sing N N 281 
HIS   CA    C     sing N N 282 
HIS   CA    CB    sing N N 283 
HIS   CA    HA    sing N N 284 
HIS   C     O     doub N N 285 
HIS   C     OXT   sing N N 286 
HIS   CB    CG    sing N N 287 
HIS   CB    HB2   sing N N 288 
HIS   CB    HB3   sing N N 289 
HIS   CG    ND1   sing Y N 290 
HIS   CG    CD2   doub Y N 291 
HIS   ND1   CE1   doub Y N 292 
HIS   ND1   HD1   sing N N 293 
HIS   CD2   NE2   sing Y N 294 
HIS   CD2   HD2   sing N N 295 
HIS   CE1   NE2   sing Y N 296 
HIS   CE1   HE1   sing N N 297 
HIS   NE2   HE2   sing N N 298 
HIS   OXT   HXT   sing N N 299 
HOH   O     H1    sing N N 300 
HOH   O     H2    sing N N 301 
ILE   N     CA    sing N N 302 
ILE   N     H     sing N N 303 
ILE   N     H2    sing N N 304 
ILE   CA    C     sing N N 305 
ILE   CA    CB    sing N N 306 
ILE   CA    HA    sing N N 307 
ILE   C     O     doub N N 308 
ILE   C     OXT   sing N N 309 
ILE   CB    CG1   sing N N 310 
ILE   CB    CG2   sing N N 311 
ILE   CB    HB    sing N N 312 
ILE   CG1   CD1   sing N N 313 
ILE   CG1   HG12  sing N N 314 
ILE   CG1   HG13  sing N N 315 
ILE   CG2   HG21  sing N N 316 
ILE   CG2   HG22  sing N N 317 
ILE   CG2   HG23  sing N N 318 
ILE   CD1   HD11  sing N N 319 
ILE   CD1   HD12  sing N N 320 
ILE   CD1   HD13  sing N N 321 
ILE   OXT   HXT   sing N N 322 
LEU   N     CA    sing N N 323 
LEU   N     H     sing N N 324 
LEU   N     H2    sing N N 325 
LEU   CA    C     sing N N 326 
LEU   CA    CB    sing N N 327 
LEU   CA    HA    sing N N 328 
LEU   C     O     doub N N 329 
LEU   C     OXT   sing N N 330 
LEU   CB    CG    sing N N 331 
LEU   CB    HB2   sing N N 332 
LEU   CB    HB3   sing N N 333 
LEU   CG    CD1   sing N N 334 
LEU   CG    CD2   sing N N 335 
LEU   CG    HG    sing N N 336 
LEU   CD1   HD11  sing N N 337 
LEU   CD1   HD12  sing N N 338 
LEU   CD1   HD13  sing N N 339 
LEU   CD2   HD21  sing N N 340 
LEU   CD2   HD22  sing N N 341 
LEU   CD2   HD23  sing N N 342 
LEU   OXT   HXT   sing N N 343 
LYS   N     CA    sing N N 344 
LYS   N     H     sing N N 345 
LYS   N     H2    sing N N 346 
LYS   CA    C     sing N N 347 
LYS   CA    CB    sing N N 348 
LYS   CA    HA    sing N N 349 
LYS   C     O     doub N N 350 
LYS   C     OXT   sing N N 351 
LYS   CB    CG    sing N N 352 
LYS   CB    HB2   sing N N 353 
LYS   CB    HB3   sing N N 354 
LYS   CG    CD    sing N N 355 
LYS   CG    HG2   sing N N 356 
LYS   CG    HG3   sing N N 357 
LYS   CD    CE    sing N N 358 
LYS   CD    HD2   sing N N 359 
LYS   CD    HD3   sing N N 360 
LYS   CE    NZ    sing N N 361 
LYS   CE    HE2   sing N N 362 
LYS   CE    HE3   sing N N 363 
LYS   NZ    HZ1   sing N N 364 
LYS   NZ    HZ2   sing N N 365 
LYS   NZ    HZ3   sing N N 366 
LYS   OXT   HXT   sing N N 367 
MET   N     CA    sing N N 368 
MET   N     H     sing N N 369 
MET   N     H2    sing N N 370 
MET   CA    C     sing N N 371 
MET   CA    CB    sing N N 372 
MET   CA    HA    sing N N 373 
MET   C     O     doub N N 374 
MET   C     OXT   sing N N 375 
MET   CB    CG    sing N N 376 
MET   CB    HB2   sing N N 377 
MET   CB    HB3   sing N N 378 
MET   CG    SD    sing N N 379 
MET   CG    HG2   sing N N 380 
MET   CG    HG3   sing N N 381 
MET   SD    CE    sing N N 382 
MET   CE    HE1   sing N N 383 
MET   CE    HE2   sing N N 384 
MET   CE    HE3   sing N N 385 
MET   OXT   HXT   sing N N 386 
PHE   N     CA    sing N N 387 
PHE   N     H     sing N N 388 
PHE   N     H2    sing N N 389 
PHE   CA    C     sing N N 390 
PHE   CA    CB    sing N N 391 
PHE   CA    HA    sing N N 392 
PHE   C     O     doub N N 393 
PHE   C     OXT   sing N N 394 
PHE   CB    CG    sing N N 395 
PHE   CB    HB2   sing N N 396 
PHE   CB    HB3   sing N N 397 
PHE   CG    CD1   doub Y N 398 
PHE   CG    CD2   sing Y N 399 
PHE   CD1   CE1   sing Y N 400 
PHE   CD1   HD1   sing N N 401 
PHE   CD2   CE2   doub Y N 402 
PHE   CD2   HD2   sing N N 403 
PHE   CE1   CZ    doub Y N 404 
PHE   CE1   HE1   sing N N 405 
PHE   CE2   CZ    sing Y N 406 
PHE   CE2   HE2   sing N N 407 
PHE   CZ    HZ    sing N N 408 
PHE   OXT   HXT   sing N N 409 
PRO   N     CA    sing N N 410 
PRO   N     CD    sing N N 411 
PRO   N     H     sing N N 412 
PRO   CA    C     sing N N 413 
PRO   CA    CB    sing N N 414 
PRO   CA    HA    sing N N 415 
PRO   C     O     doub N N 416 
PRO   C     OXT   sing N N 417 
PRO   CB    CG    sing N N 418 
PRO   CB    HB2   sing N N 419 
PRO   CB    HB3   sing N N 420 
PRO   CG    CD    sing N N 421 
PRO   CG    HG2   sing N N 422 
PRO   CG    HG3   sing N N 423 
PRO   CD    HD2   sing N N 424 
PRO   CD    HD3   sing N N 425 
PRO   OXT   HXT   sing N N 426 
SCN   S     C     sing N N 427 
SCN   C     N     trip N N 428 
SER   N     CA    sing N N 429 
SER   N     H     sing N N 430 
SER   N     H2    sing N N 431 
SER   CA    C     sing N N 432 
SER   CA    CB    sing N N 433 
SER   CA    HA    sing N N 434 
SER   C     O     doub N N 435 
SER   C     OXT   sing N N 436 
SER   CB    OG    sing N N 437 
SER   CB    HB2   sing N N 438 
SER   CB    HB3   sing N N 439 
SER   OG    HG    sing N N 440 
SER   OXT   HXT   sing N N 441 
THR   N     CA    sing N N 442 
THR   N     H     sing N N 443 
THR   N     H2    sing N N 444 
THR   CA    C     sing N N 445 
THR   CA    CB    sing N N 446 
THR   CA    HA    sing N N 447 
THR   C     O     doub N N 448 
THR   C     OXT   sing N N 449 
THR   CB    OG1   sing N N 450 
THR   CB    CG2   sing N N 451 
THR   CB    HB    sing N N 452 
THR   OG1   HG1   sing N N 453 
THR   CG2   HG21  sing N N 454 
THR   CG2   HG22  sing N N 455 
THR   CG2   HG23  sing N N 456 
THR   OXT   HXT   sing N N 457 
TRP   N     CA    sing N N 458 
TRP   N     H     sing N N 459 
TRP   N     H2    sing N N 460 
TRP   CA    C     sing N N 461 
TRP   CA    CB    sing N N 462 
TRP   CA    HA    sing N N 463 
TRP   C     O     doub N N 464 
TRP   C     OXT   sing N N 465 
TRP   CB    CG    sing N N 466 
TRP   CB    HB2   sing N N 467 
TRP   CB    HB3   sing N N 468 
TRP   CG    CD1   doub Y N 469 
TRP   CG    CD2   sing Y N 470 
TRP   CD1   NE1   sing Y N 471 
TRP   CD1   HD1   sing N N 472 
TRP   CD2   CE2   doub Y N 473 
TRP   CD2   CE3   sing Y N 474 
TRP   NE1   CE2   sing Y N 475 
TRP   NE1   HE1   sing N N 476 
TRP   CE2   CZ2   sing Y N 477 
TRP   CE3   CZ3   doub Y N 478 
TRP   CE3   HE3   sing N N 479 
TRP   CZ2   CH2   doub Y N 480 
TRP   CZ2   HZ2   sing N N 481 
TRP   CZ3   CH2   sing Y N 482 
TRP   CZ3   HZ3   sing N N 483 
TRP   CH2   HH2   sing N N 484 
TRP   OXT   HXT   sing N N 485 
TYR   N     CA    sing N N 486 
TYR   N     H     sing N N 487 
TYR   N     H2    sing N N 488 
TYR   CA    C     sing N N 489 
TYR   CA    CB    sing N N 490 
TYR   CA    HA    sing N N 491 
TYR   C     O     doub N N 492 
TYR   C     OXT   sing N N 493 
TYR   CB    CG    sing N N 494 
TYR   CB    HB2   sing N N 495 
TYR   CB    HB3   sing N N 496 
TYR   CG    CD1   doub Y N 497 
TYR   CG    CD2   sing Y N 498 
TYR   CD1   CE1   sing Y N 499 
TYR   CD1   HD1   sing N N 500 
TYR   CD2   CE2   doub Y N 501 
TYR   CD2   HD2   sing N N 502 
TYR   CE1   CZ    doub Y N 503 
TYR   CE1   HE1   sing N N 504 
TYR   CE2   CZ    sing Y N 505 
TYR   CE2   HE2   sing N N 506 
TYR   CZ    OH    sing N N 507 
TYR   OH    HH    sing N N 508 
TYR   OXT   HXT   sing N N 509 
VAL   N     CA    sing N N 510 
VAL   N     H     sing N N 511 
VAL   N     H2    sing N N 512 
VAL   CA    C     sing N N 513 
VAL   CA    CB    sing N N 514 
VAL   CA    HA    sing N N 515 
VAL   C     O     doub N N 516 
VAL   C     OXT   sing N N 517 
VAL   CB    CG1   sing N N 518 
VAL   CB    CG2   sing N N 519 
VAL   CB    HB    sing N N 520 
VAL   CG1   HG11  sing N N 521 
VAL   CG1   HG12  sing N N 522 
VAL   CG1   HG13  sing N N 523 
VAL   CG2   HG21  sing N N 524 
VAL   CG2   HG22  sing N N 525 
VAL   CG2   HG23  sing N N 526 
VAL   OXT   HXT   sing N N 527 
# 
_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                    8RRB 
_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]   0.027405 
_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]   0.017575 
_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]   0.016375 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
F 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   ? 6.529   4.374   9.201   1.000 18.793 0 113 PRO   A N     1 ? 
ATOM   2    C CA    . PRO   A 1 1   ? 5.175   4.535   8.684   1.000 17.290 0 113 PRO   A CA    1 ? 
ATOM   3    C C     . PRO   A 1 1   ? 5.024   3.938   7.288   1.000 15.782 0 113 PRO   A C     1 ? 
ATOM   4    O O     . PRO   A 1 1   ? 6.014   3.704   6.602   1.000 16.550 0 113 PRO   A O     1 ? 
ATOM   5    C CB    . PRO   A 1 1   ? 4.916   6.053   8.670   1.000 18.721 0 113 PRO   A CB    1 ? 
ATOM   6    C CG    . PRO   A 1 1   ? 6.037   6.633   9.495   1.000 19.434 0 113 PRO   A CG    1 ? 
ATOM   7    C CD    . PRO   A 1 1   ? 7.188   5.673   9.265   1.000 19.428 0 113 PRO   A CD    1 ? 
ATOM   8    H H     . PRO   A 1 1   ? 6.874   3.620   9.433   1.000 18.606 0 113 PRO   A H     1 c 
ATOM   9    H HA    . PRO   A 1 1   ? 4.542   4.094   9.304   1.000 17.399 0 113 PRO   A HA    1 c 
ATOM   10   H HB2   . PRO   A 1 1   ? 4.938   6.406   7.749   1.000 18.600 0 113 PRO   A HB2   1 c 
ATOM   11   H HB3   . PRO   A 1 1   ? 4.040   6.263   9.069   1.000 18.615 0 113 PRO   A HB3   1 c 
ATOM   12   H HG2   . PRO   A 1 1   ? 6.267   7.536   9.191   1.000 19.331 0 113 PRO   A HG2   1 c 
ATOM   13   H HG3   . PRO   A 1 1   ? 5.794   6.668   10.444  1.000 19.361 0 113 PRO   A HG3   1 c 
ATOM   14   H HD2   . PRO   A 1 1   ? 7.653   5.876   8.423   1.000 19.352 0 113 PRO   A HD2   1 c 
ATOM   15   H HD3   . PRO   A 1 1   ? 7.832   5.709   10.006  1.000 19.380 0 113 PRO   A HD3   1 c 
ATOM   16   N N     . LEU   A 1 2   ? 3.765   3.719   6.894   1.000 13.839 0 114 LEU   A N     1 ? 
ATOM   17   C CA    . LEU   A 1 2   ? 3.403   3.245   5.567   1.000 13.270 0 114 LEU   A CA    1 ? 
ATOM   18   C C     . LEU   A 1 2   ? 2.935   4.426   4.719   1.000 12.988 0 114 LEU   A C     1 ? 
ATOM   19   O O     . LEU   A 1 2   ? 2.471   5.434   5.248   1.000 13.484 0 114 LEU   A O     1 ? 
ATOM   20   C CB    . LEU   A 1 2   ? 2.310   2.182   5.687   1.000 13.449 0 114 LEU   A CB    1 ? 
ATOM   21   C CG    . LEU   A 1 2   ? 2.671   0.927   6.490   1.000 13.956 0 114 LEU   A CG    1 ? 
ATOM   22   C CD1   . LEU   A 1 2   ? 1.490   -0.024  6.563   1.000 14.205 0 114 LEU   A CD1   1 ? 
ATOM   23   C CD2   . LEU   A 1 2   ? 3.879   0.210   5.915   1.000 14.529 0 114 LEU   A CD2   1 ? 
ATOM   24   H H     . LEU   A 1 2   ? 3.094   3.875   7.494   1.000 14.017 0 114 LEU   A H     1 c 
ATOM   25   H HA    . LEU   A 1 2   ? 4.203   2.847   5.143   1.000 13.380 0 114 LEU   A HA    1 c 
ATOM   26   H HB2   . LEU   A 1 2   ? 1.521   2.600   6.103   1.000 13.463 0 114 LEU   A HB2   1 c 
ATOM   27   H HB3   . LEU   A 1 2   ? 2.051   1.905   4.778   1.000 13.481 0 114 LEU   A HB3   1 c 
ATOM   28   H HG    . LEU   A 1 2   ? 2.895   1.208   7.414   1.000 13.973 0 114 LEU   A HG    1 c 
ATOM   29   H HD11  . LEU   A 1 2   ? 0.754   0.404   7.030   1.000 14.138 0 114 LEU   A HD11  1 c 
ATOM   30   H HD12  . LEU   A 1 2   ? 1.751   -0.829  7.042   1.000 14.148 0 114 LEU   A HD12  1 c 
ATOM   31   H HD13  . LEU   A 1 2   ? 1.208   -0.262  5.664   1.000 14.167 0 114 LEU   A HD13  1 c 
ATOM   32   H HD21  . LEU   A 1 2   ? 4.654   0.795   5.950   1.000 14.413 0 114 LEU   A HD21  1 c 
ATOM   33   H HD22  . LEU   A 1 2   ? 3.702   -0.036  4.991   1.000 14.461 0 114 LEU   A HD22  1 c 
ATOM   34   H HD23  . LEU   A 1 2   ? 4.058   -0.592  6.434   1.000 14.419 0 114 LEU   A HD23  1 c 
ATOM   35   N N     . ILE   A 1 3   ? 3.057   4.280   3.397   1.000 12.773 0 115 ILE   A N     1 ? 
ATOM   36   C CA    . ILE   A 1 3   ? 2.497   5.239   2.452   1.000 12.872 0 115 ILE   A CA    1 ? 
ATOM   37   C C     . ILE   A 1 3   ? 0.978   5.286   2.621   1.000 12.364 0 115 ILE   A C     1 ? 
ATOM   38   O O     . ILE   A 1 3   ? 0.356   4.267   2.920   1.000 12.375 0 115 ILE   A O     1 ? 
ATOM   39   C CB    . ILE   A 1 3   ? 2.908   4.884   1.009   1.000 13.074 0 115 ILE   A CB    1 ? 
ATOM   40   C CG1   . ILE   A 1 3   ? 2.458   5.961   0.019   1.000 13.472 0 115 ILE   A CG1   1 ? 
ATOM   41   C CG2   . ILE   A 1 3   ? 2.405   3.498   0.592   1.000 13.052 0 115 ILE   A CG2   1 ? 
ATOM   42   C CD1   . ILE   A 1 3   ? 3.145   5.902   -1.333  1.000 13.643 0 115 ILE   A CD1   1 ? 
ATOM   43   H H     . ILE   A 1 3   ? 3.518   3.561   3.073   1.000 12.848 0 115 ILE   A H     1 c 
ATOM   44   H HA    . ILE   A 1 3   ? 2.859   6.121   2.664   1.000 12.837 0 115 ILE   A HA    1 c 
ATOM   45   H HB    . ILE   A 1 3   ? 3.885   4.859   0.983   1.000 13.076 0 115 ILE   A HB    1 c 
ATOM   46   H HG12  . ILE   A 1 3   ? 1.492   5.875   -0.119  1.000 13.435 0 115 ILE   A HG12  1 c 
ATOM   47   H HG13  . ILE   A 1 3   ? 2.624   6.840   0.416   1.000 13.432 0 115 ILE   A HG13  1 c 
ATOM   48   H HG21  . ILE   A 1 3   ? 2.704   3.301   -0.311  1.000 13.048 0 115 ILE   A HG21  1 c 
ATOM   49   H HG22  . ILE   A 1 3   ? 1.434   3.480   0.619   1.000 13.062 0 115 ILE   A HG22  1 c 
ATOM   50   H HG23  . ILE   A 1 3   ? 2.756   2.826   1.198   1.000 13.058 0 115 ILE   A HG23  1 c 
ATOM   51   H HD11  . ILE   A 1 3   ? 4.109   6.001   -1.213  1.000 13.625 0 115 ILE   A HD11  1 c 
ATOM   52   H HD12  . ILE   A 1 3   ? 2.814   6.625   -1.898  1.000 13.607 0 115 ILE   A HD12  1 c 
ATOM   53   H HD13  . ILE   A 1 3   ? 2.959   5.045   -1.762  1.000 13.617 0 115 ILE   A HD13  1 c 
ATOM   54   N N     . VAL   A 1 4   ? 0.406   6.486   2.458   1.000 12.021 0 116 VAL   A N     1 ? 
ATOM   55   C CA    . VAL   A 1 4   ? -1.032  6.676   2.315   1.000 12.236 0 116 VAL   A CA    1 ? 
ATOM   56   C C     . VAL   A 1 4   ? -1.256  7.455   1.021   1.000 12.478 0 116 VAL   A C     1 ? 
ATOM   57   O O     . VAL   A 1 4   ? -0.666  8.517   0.846   1.000 13.138 0 116 VAL   A O     1 ? 
ATOM   58   C CB    . VAL   A 1 4   ? -1.643  7.403   3.531   1.000 12.812 0 116 VAL   A CB    1 ? 
ATOM   59   C CG1   . VAL   A 1 4   ? -3.145  7.610   3.374   1.000 13.176 0 116 VAL   A CG1   1 ? 
ATOM   60   C CG2   . VAL   A 1 4   ? -1.339  6.671   4.833   1.000 12.996 0 116 VAL   A CG2   1 ? 
ATOM   61   H HA    . VAL   A 1 4   ? -1.452  5.802   2.237   1.000 12.302 0 116 VAL   A HA    1 c 
ATOM   62   H HB    . VAL   A 1 4   ? -1.220  8.292   3.580   1.000 12.791 0 116 VAL   A HB    1 c 
ATOM   63   H HG11  . VAL   A 1 4   ? -3.581  6.749   3.257   1.000 13.122 0 116 VAL   A HG11  1 c 
ATOM   64   H HG12  . VAL   A 1 4   ? -3.318  8.169   2.599   1.000 13.137 0 116 VAL   A HG12  1 c 
ATOM   65   H HG13  . VAL   A 1 4   ? -3.497  8.045   4.169   1.000 13.119 0 116 VAL   A HG13  1 c 
ATOM   66   H HG21  . VAL   A 1 4   ? -1.747  7.147   5.576   1.000 12.967 0 116 VAL   A HG21  1 c 
ATOM   67   H HG22  . VAL   A 1 4   ? -0.377  6.629   4.967   1.000 12.967 0 116 VAL   A HG22  1 c 
ATOM   68   H HG23  . VAL   A 1 4   ? -1.699  5.769   4.791   1.000 12.968 0 116 VAL   A HG23  1 c 
ATOM   69   N N     . PRO   A 1 5   ? -2.077  6.977   0.056   1.000 12.769 0 117 PRO   A N     1 ? 
ATOM   70   C CA    . PRO   A 1 5   ? -2.840  5.732   0.172   1.000 12.507 0 117 PRO   A CA    1 ? 
ATOM   71   C C     . PRO   A 1 5   ? -1.977  4.473   0.130   1.000 12.112 0 117 PRO   A C     1 ? 
ATOM   72   O O     . PRO   A 1 5   ? -0.896  4.469   -0.456  1.000 12.981 0 117 PRO   A O     1 ? 
ATOM   73   C CB    . PRO   A 1 5   ? -3.786  5.805   -1.038  1.000 13.173 0 117 PRO   A CB    1 ? 
ATOM   74   C CG    . PRO   A 1 5   ? -3.002  6.593   -2.060  1.000 13.749 0 117 PRO   A CG    1 ? 
ATOM   75   C CD    . PRO   A 1 5   ? -2.291  7.646   -1.235  1.000 13.357 0 117 PRO   A CD    1 ? 
ATOM   76   H HA    . PRO   A 1 5   ? -3.366  5.755   1.009   1.000 12.537 0 117 PRO   A HA    1 c 
ATOM   77   H HB2   . PRO   A 1 5   ? -3.998  4.902   -1.376  1.000 13.141 0 117 PRO   A HB2   1 c 
ATOM   78   H HB3   . PRO   A 1 5   ? -4.625  6.266   -0.804  1.000 13.138 0 117 PRO   A HB3   1 c 
ATOM   79   H HG2   . PRO   A 1 5   ? -2.359  6.021   -2.528  1.000 13.615 0 117 PRO   A HG2   1 c 
ATOM   80   H HG3   . PRO   A 1 5   ? -3.599  7.007   -2.718  1.000 13.624 0 117 PRO   A HG3   1 c 
ATOM   81   H HD2   . PRO   A 1 5   ? -1.436  7.899   -1.650  1.000 13.349 0 117 PRO   A HD2   1 c 
ATOM   82   H HD3   . PRO   A 1 5   ? -2.849  8.448   -1.132  1.000 13.361 0 117 PRO   A HD3   1 c 
ATOM   83   N N     . TYR   A 1 6   ? -2.498  3.408   0.743   1.000 11.543 0 118 TYR   A N     1 ? 
ATOM   84   C CA    . TYR   A 1 6   ? -1.809  2.135   0.884   1.000 11.680 0 118 TYR   A CA    1 ? 
ATOM   85   C C     . TYR   A 1 6   ? -2.655  1.042   0.241   1.000 11.443 0 118 TYR   A C     1 ? 
ATOM   86   O O     . TYR   A 1 6   ? -3.878  1.078   0.339   1.000 11.589 0 118 TYR   A O     1 ? 
ATOM   87   C CB    . TYR   A 1 6   ? -1.615  1.802   2.368   1.000 12.092 0 118 TYR   A CB    1 ? 
ATOM   88   C CG    . TYR   A 1 6   ? -0.697  0.616   2.612   1.000 12.747 0 118 TYR   A CG    1 ? 
ATOM   89   C CD1   . TYR   A 1 6   ? 0.679   0.762   2.519   1.000 13.728 0 118 TYR   A CD1   1 ? 
ATOM   90   C CD2   . TYR   A 1 6   ? -1.195  -0.639  2.936   1.000 13.005 0 118 TYR   A CD2   1 ? 
ATOM   91   C CE1   . TYR   A 1 6   ? 1.535   -0.306  2.727   1.000 14.383 0 118 TYR   A CE1   1 ? 
ATOM   92   C CE2   . TYR   A 1 6   ? -0.350  -1.717  3.152   1.000 13.452 0 118 TYR   A CE2   1 ? 
ATOM   93   C CZ    . TYR   A 1 6   ? 1.020   -1.551  3.044   1.000 14.312 0 118 TYR   A CZ    1 ? 
ATOM   94   O OH    . TYR   A 1 6   ? 1.875   -2.593  3.259   1.000 15.580 0 118 TYR   A OH    1 ? 
ATOM   95   H H     . TYR   A 1 6   ? -3.337  3.483   1.096   1.000 11.661 0 118 TYR   A H     1 c 
ATOM   96   H HA    . TYR   A 1 6   ? -0.925  2.183   0.435   1.000 11.687 0 118 TYR   A HA    1 c 
ATOM   97   H HB2   . TYR   A 1 6   ? -1.248  2.590   2.822   1.000 12.118 0 118 TYR   A HB2   1 c 
ATOM   98   H HB3   . TYR   A 1 6   ? -2.495  1.611   2.763   1.000 12.118 0 118 TYR   A HB3   1 c 
ATOM   99   H HD1   . TYR   A 1 6   ? 1.040   1.605   2.296   1.000 13.624 0 118 TYR   A HD1   1 c 
ATOM   100  H HD2   . TYR   A 1 6   ? -2.128  -0.763  3.006   1.000 13.051 0 118 TYR   A HD2   1 c 
ATOM   101  H HE1   . TYR   A 1 6   ? 2.467   -0.186  2.657   1.000 14.295 0 118 TYR   A HE1   1 c 
ATOM   102  H HE2   . TYR   A 1 6   ? -0.706  -2.562  3.369   1.000 13.474 0 118 TYR   A HE2   1 c 
ATOM   103  H HH    . TYR   A 1 6   ? 2.093   -2.624  4.085   0.000 16.936 0 118 TYR   A HH    1 c 
ATOM   104  N N     A ASN   A 1 7   ? -1.985  0.111   -0.451  0.500 11.830 0 119 ASN   A N     1 ? 
ATOM   105  N N     B ASN   A 1 7   ? -1.998  0.059   -0.385  0.500 11.889 0 119 ASN   A N     1 ? 
ATOM   106  C CA    A ASN   A 1 7   ? -2.599  -1.121  -0.923  0.500 12.212 0 119 ASN   A CA    1 ? 
ATOM   107  C CA    B ASN   A 1 7   ? -2.676  -1.103  -0.943  0.500 12.217 0 119 ASN   A CA    1 ? 
ATOM   108  C C     A ASN   A 1 7   ? -2.057  -2.287  -0.105  0.500 11.651 0 119 ASN   A C     1 ? 
ATOM   109  C C     B ASN   A 1 7   ? -2.132  -2.364  -0.272  0.500 11.765 0 119 ASN   A C     1 ? 
ATOM   110  O O     A ASN   A 1 7   ? -0.847  -2.518  -0.076  0.500 11.882 0 119 ASN   A O     1 ? 
ATOM   111  O O     B ASN   A 1 7   ? -0.993  -2.753  -0.532  0.500 12.269 0 119 ASN   A O     1 ? 
ATOM   112  C CB    A ASN   A 1 7   ? -2.319  -1.402  -2.395  0.500 12.953 0 119 ASN   A CB    1 ? 
ATOM   113  C CB    B ASN   A 1 7   ? -2.497  -1.184  -2.456  0.500 13.052 0 119 ASN   A CB    1 ? 
ATOM   114  C CG    A ASN   A 1 7   ? -2.811  -2.772  -2.803  0.500 13.733 0 119 ASN   A CG    1 ? 
ATOM   115  C CG    B ASN   A 1 7   ? -3.375  -0.222  -3.224  0.500 13.995 0 119 ASN   A CG    1 ? 
ATOM   116  O OD1   A ASN   A 1 7   ? -3.986  -3.093  -2.598  0.500 13.942 0 119 ASN   A OD1   1 ? 
ATOM   117  O OD1   B ASN   A 1 7   ? -4.385  0.264   -2.706  0.500 14.730 0 119 ASN   A OD1   1 ? 
ATOM   118  N ND2   A ASN   A 1 7   ? -1.938  -3.595  -3.366  0.500 14.726 0 119 ASN   A ND2   1 ? 
ATOM   119  N ND2   B ASN   A 1 7   ? -3.033  0.028   -4.479  0.500 14.670 0 119 ASN   A ND2   1 ? 
ATOM   120  H H     A ASN   A 1 7   ? -1.102  0.256   -0.639  0.500 11.816 0 119 ASN   A H     1 c 
ATOM   121  H H     B ASN   A 1 7   ? -1.090  0.116   -0.467  0.500 11.857 0 119 ASN   A H     1 c 
ATOM   122  H HA    A ASN   A 1 7   ? -3.573  -1.062  -0.803  0.500 12.149 0 119 ASN   A HA    1 c 
ATOM   123  H HA    B ASN   A 1 7   ? -3.639  -1.030  -0.758  0.500 12.187 0 119 ASN   A HA    1 c 
ATOM   124  H HB2   A ASN   A 1 7   ? -2.762  -0.724  -2.943  0.500 12.964 0 119 ASN   A HB2   1 c 
ATOM   125  H HB2   B ASN   A 1 7   ? -1.562  -0.999  -2.675  0.500 13.050 0 119 ASN   A HB2   1 c 
ATOM   126  H HB3   A ASN   A 1 7   ? -1.357  -1.344  -2.557  0.500 12.965 0 119 ASN   A HB3   1 c 
ATOM   127  H HB3   B ASN   A 1 7   ? -2.697  -2.095  -2.751  0.500 13.044 0 119 ASN   A HB3   1 c 
ATOM   128  H HD21  A ASN   A 1 7   ? -1.101  -3.331  -3.497  0.500 14.548 0 119 ASN   A HD21  1 c 
ATOM   129  H HD21  B ASN   A 1 7   ? -2.315  -0.360  -4.828  0.500 14.553 0 119 ASN   A HD21  1 c 
ATOM   130  H HD22  A ASN   A 1 7   ? -2.191  -4.409  -3.611  0.500 14.545 0 119 ASN   A HD22  1 c 
ATOM   131  H HD22  B ASN   A 1 7   ? -3.520  0.585   -4.969  0.500 14.544 0 119 ASN   A HD22  1 c 
ATOM   132  N N     . LEU   A 1 8   ? -2.961  -3.000  0.567   1.000 11.071 0 120 LEU   A N     1 ? 
ATOM   133  C CA    . LEU   A 1 8   ? -2.619  -4.254  1.218   1.000 10.877 0 120 LEU   A CA    1 ? 
ATOM   134  C C     . LEU   A 1 8   ? -3.176  -5.400  0.383   1.000 10.260 0 120 LEU   A C     1 ? 
ATOM   135  O O     . LEU   A 1 8   ? -4.389  -5.578  0.306   1.000 9.850  0 120 LEU   A O     1 ? 
ATOM   136  C CB    . LEU   A 1 8   ? -3.209  -4.286  2.624   1.000 11.193 0 120 LEU   A CB    1 ? 
ATOM   137  C CG    . LEU   A 1 8   ? -2.981  -5.585  3.401   1.000 12.117 0 120 LEU   A CG    1 ? 
ATOM   138  C CD1   . LEU   A 1 8   ? -1.510  -5.763  3.739   1.000 12.635 0 120 LEU   A CD1   1 ? 
ATOM   139  C CD2   . LEU   A 1 8   ? -3.827  -5.616  4.662   1.000 12.460 0 120 LEU   A CD2   1 ? 
ATOM   140  H H     . LEU   A 1 8   ? -3.798  -2.659  0.695   1.000 11.219 0 120 LEU   A H     1 c 
ATOM   141  H HA    . LEU   A 1 8   ? -1.635  -4.333  1.274   1.000 10.874 0 120 LEU   A HA    1 c 
ATOM   142  H HB2   . LEU   A 1 8   ? -2.820  -3.542  3.139   1.000 11.259 0 120 LEU   A HB2   1 c 
ATOM   143  H HB3   . LEU   A 1 8   ? -4.178  -4.129  2.555   1.000 11.252 0 120 LEU   A HB3   1 c 
ATOM   144  H HG    . LEU   A 1 8   ? -3.260  -6.345  2.828   1.000 12.065 0 120 LEU   A HG    1 c 
ATOM   145  H HD11  . LEU   A 1 8   ? -0.990  -5.810  2.919   1.000 12.546 0 120 LEU   A HD11  1 c 
ATOM   146  H HD12  . LEU   A 1 8   ? -1.390  -6.585  4.244   1.000 12.530 0 120 LEU   A HD12  1 c 
ATOM   147  H HD13  . LEU   A 1 8   ? -1.205  -5.010  4.272   1.000 12.564 0 120 LEU   A HD13  1 c 
ATOM   148  H HD21  . LEU   A 1 8   ? -4.767  -5.558  4.424   1.000 12.417 0 120 LEU   A HD21  1 c 
ATOM   149  H HD22  . LEU   A 1 8   ? -3.590  -4.863  5.230   1.000 12.390 0 120 LEU   A HD22  1 c 
ATOM   150  H HD23  . LEU   A 1 8   ? -3.665  -6.445  5.142   1.000 12.406 0 120 LEU   A HD23  1 c 
ATOM   151  N N     . PRO   A 1 9   ? -2.328  -6.217  -0.279  1.000 10.423 0 121 PRO   A N     1 ? 
ATOM   152  C CA    . PRO   A 1 9   ? -2.831  -7.401  -0.968  1.000 10.111 0 121 PRO   A CA    1 ? 
ATOM   153  C C     . PRO   A 1 9   ? -3.471  -8.365  0.025   1.000 9.454  0 121 PRO   A C     1 ? 
ATOM   154  O O     . PRO   A 1 9   ? -2.993  -8.514  1.144   1.000 9.667  0 121 PRO   A O     1 ? 
ATOM   155  C CB    . PRO   A 1 9   ? -1.594  -8.015  -1.635  1.000 10.869 0 121 PRO   A CB    1 ? 
ATOM   156  C CG    . PRO   A 1 9   ? -0.572  -6.900  -1.646  1.000 11.499 0 121 PRO   A CG    1 ? 
ATOM   157  C CD    . PRO   A 1 9   ? -0.875  -6.047  -0.429  1.000 11.153 0 121 PRO   A CD    1 ? 
ATOM   158  H HA    . PRO   A 1 9   ? -3.487  -7.129  -1.657  1.000 10.127 0 121 PRO   A HA    1 c 
ATOM   159  H HB2   . PRO   A 1 9   ? -1.263  -8.788  -1.119  1.000 10.832 0 121 PRO   A HB2   1 c 
ATOM   160  H HB3   . PRO   A 1 9   ? -1.800  -8.310  -2.553  1.000 10.846 0 121 PRO   A HB3   1 c 
ATOM   161  H HG2   . PRO   A 1 9   ? 0.337   -7.263  -1.593  1.000 11.369 0 121 PRO   A HG2   1 c 
ATOM   162  H HG3   . PRO   A 1 9   ? -0.649  -6.369  -2.466  1.000 11.376 0 121 PRO   A HG3   1 c 
ATOM   163  H HD2   . PRO   A 1 9   ? -0.393  -6.374  0.363   1.000 11.093 0 121 PRO   A HD2   1 c 
ATOM   164  H HD3   . PRO   A 1 9   ? -0.637  -5.110  -0.590  1.000 11.075 0 121 PRO   A HD3   1 c 
ATOM   165  N N     . LEU   A 1 10  ? -4.553  -9.009  -0.410  1.000 8.638  0 122 LEU   A N     1 ? 
ATOM   166  C CA    . LEU   A 1 10  ? -5.220  -10.071 0.329   1.000 8.620  0 122 LEU   A CA    1 ? 
ATOM   167  C C     . LEU   A 1 10  ? -5.171  -11.308 -0.558  1.000 8.269  0 122 LEU   A C     1 ? 
ATOM   168  O O     . LEU   A 1 10  ? -6.098  -11.558 -1.328  1.000 8.477  0 122 LEU   A O     1 ? 
ATOM   169  C CB    . LEU   A 1 10  ? -6.653  -9.668  0.669   1.000 8.539  0 122 LEU   A CB    1 ? 
ATOM   170  C CG    . LEU   A 1 10  ? -6.815  -8.319  1.374   1.000 9.001  0 122 LEU   A CG    1 ? 
ATOM   171  C CD1   . LEU   A 1 10  ? -8.289  -7.962  1.462   1.000 9.169  0 122 LEU   A CD1   1 ? 
ATOM   172  C CD2   . LEU   A 1 10  ? -6.156  -8.306  2.743   1.000 9.485  0 122 LEU   A CD2   1 ? 
ATOM   173  H H     . LEU   A 1 10  ? -4.895  -8.773  -1.223  1.000 8.732  0 122 LEU   A H     1 c 
ATOM   174  H HA    . LEU   A 1 10  ? -4.722  -10.246 1.167   1.000 8.588  0 122 LEU   A HA    1 c 
ATOM   175  H HB2   . LEU   A 1 10  ? -7.173  -9.644  -0.167  1.000 8.594  0 122 LEU   A HB2   1 c 
ATOM   176  H HB3   . LEU   A 1 10  ? -7.041  -10.368 1.243   1.000 8.608  0 122 LEU   A HB3   1 c 
ATOM   177  H HG    . LEU   A 1 10  ? -6.371  -7.628  0.819   1.000 9.011  0 122 LEU   A HG    1 c 
ATOM   178  H HD11  . LEU   A 1 10  ? -8.666  -7.914  0.567   1.000 9.147  0 122 LEU   A HD11  1 c 
ATOM   179  H HD12  . LEU   A 1 10  ? -8.389  -7.101  1.902   1.000 9.142  0 122 LEU   A HD12  1 c 
ATOM   180  H HD13  . LEU   A 1 10  ? -8.758  -8.642  1.973   1.000 9.143  0 122 LEU   A HD13  1 c 
ATOM   181  H HD21  . LEU   A 1 10  ? -5.204  -8.477  2.648   1.000 9.397  0 122 LEU   A HD21  1 c 
ATOM   182  H HD22  . LEU   A 1 10  ? -6.554  -8.995  3.302   1.000 9.405  0 122 LEU   A HD22  1 c 
ATOM   183  H HD23  . LEU   A 1 10  ? -6.288  -7.438  3.159   1.000 9.408  0 122 LEU   A HD23  1 c 
ATOM   184  N N     . PRO   A 1 11  ? -4.045  -12.054 -0.559  1.000 8.142  0 123 PRO   A N     1 ? 
ATOM   185  C CA    . PRO   A 1 11  ? -3.819  -13.083 -1.575  1.000 8.172  0 123 PRO   A CA    1 ? 
ATOM   186  C C     . PRO   A 1 11  ? -4.850  -14.204 -1.522  1.000 8.411  0 123 PRO   A C     1 ? 
ATOM   187  O O     . PRO   A 1 11  ? -5.038  -14.834 -0.489  1.000 8.245  0 123 PRO   A O     1 ? 
ATOM   188  C CB    . PRO   A 1 11  ? -2.398  -13.579 -1.258  1.000 8.319  0 123 PRO   A CB    1 ? 
ATOM   189  C CG    . PRO   A 1 11  ? -1.757  -12.404 -0.559  1.000 8.369  0 123 PRO   A CG    1 ? 
ATOM   190  C CD    . PRO   A 1 11  ? -2.874  -11.866 0.313   1.000 8.227  0 123 PRO   A CD    1 ? 
ATOM   191  H HA    . PRO   A 1 11  ? -3.830  -12.657 -2.467  1.000 8.185  0 123 PRO   A HA    1 c 
ATOM   192  H HB2   . PRO   A 1 11  ? -2.421  -14.369 -0.669  1.000 8.312  0 123 PRO   A HB2   1 c 
ATOM   193  H HB3   . PRO   A 1 11  ? -1.911  -13.806 -2.084  1.000 8.309  0 123 PRO   A HB3   1 c 
ATOM   194  H HG2   . PRO   A 1 11  ? -0.993  -12.689 -0.017  1.000 8.338  0 123 PRO   A HG2   1 c 
ATOM   195  H HG3   . PRO   A 1 11  ? -1.459  -11.730 -1.204  1.000 8.342  0 123 PRO   A HG3   1 c 
ATOM   196  H HD2   . PRO   A 1 11  ? -2.957  -12.383 1.145   1.000 8.241  0 123 PRO   A HD2   1 c 
ATOM   197  H HD3   . PRO   A 1 11  ? -2.727  -10.921 0.527   1.000 8.243  0 123 PRO   A HD3   1 c 
ATOM   198  N N     . GLY   A 1 12  ? -5.502  -14.457 -2.657  1.000 8.485  0 124 GLY   A N     1 ? 
ATOM   199  C CA    . GLY   A 1 12  ? -6.547  -15.464 -2.738  1.000 8.871  0 124 GLY   A CA    1 ? 
ATOM   200  C C     . GLY   A 1 12  ? -7.840  -15.005 -2.070  1.000 8.891  0 124 GLY   A C     1 ? 
ATOM   201  O O     . GLY   A 1 12  ? -8.715  -15.823 -1.807  1.000 9.832  0 124 GLY   A O     1 ? 
ATOM   202  H H     . GLY   A 1 12  ? -5.294  -13.979 -3.407  1.000 8.523  0 124 GLY   A H     1 c 
ATOM   203  H HA2   . GLY   A 1 12  ? -6.724  -15.666 -3.687  1.000 8.832  0 124 GLY   A HA2   1 c 
ATOM   204  H HA3   . GLY   A 1 12  ? -6.231  -16.293 -2.307  1.000 8.807  0 124 GLY   A HA3   1 c 
ATOM   205  N N     . GLY   A 1 13  ? -7.960  -13.697 -1.825  1.000 8.819  0 125 GLY   A N     1 ? 
ATOM   206  C CA    . GLY   A 1 13  ? -9.181  -13.106 -1.302  1.000 9.134  0 125 GLY   A CA    1 ? 
ATOM   207  C C     . GLY   A 1 13  ? -9.339  -13.334 0.198   1.000 9.208  0 125 GLY   A C     1 ? 
ATOM   208  O O     . GLY   A 1 13  ? -8.385  -13.696 0.896   1.000 10.092 0 125 GLY   A O     1 ? 
ATOM   209  H H     . GLY   A 1 13  ? -7.254  -13.146 -2.002  1.000 8.874  0 125 GLY   A H     1 c 
ATOM   210  H HA2   . GLY   A 1 13  ? -9.167  -12.141 -1.484  1.000 9.103  0 125 GLY   A HA2   1 c 
ATOM   211  H HA3   . GLY   A 1 13  ? -9.954  -13.491 -1.774  1.000 9.098  0 125 GLY   A HA3   1 c 
ATOM   212  N N     . VAL   A 1 14  ? -10.562 -13.110 0.689   1.000 9.283  0 126 VAL   A N     1 ? 
ATOM   213  C CA    . VAL   A 1 14  ? -10.842 -13.205 2.116   1.000 9.485  0 126 VAL   A CA    1 ? 
ATOM   214  C C     . VAL   A 1 14  ? -11.658 -14.466 2.387   1.000 9.930  0 126 VAL   A C     1 ? 
ATOM   215  O O     . VAL   A 1 14  ? -12.253 -15.041 1.480   1.000 10.750 0 126 VAL   A O     1 ? 
ATOM   216  C CB    . VAL   A 1 14  ? -11.528 -11.937 2.663   1.000 9.644  0 126 VAL   A CB    1 ? 
ATOM   217  C CG1   . VAL   A 1 14  ? -10.677 -10.698 2.418   1.000 9.970  0 126 VAL   A CG1   1 ? 
ATOM   218  C CG2   . VAL   A 1 14  ? -12.932 -11.734 2.109   1.000 9.418  0 126 VAL   A CG2   1 ? 
ATOM   219  H H     . VAL   A 1 14  ? -11.241 -12.895 0.117   1.000 9.271  0 126 VAL   A H     1 c 
ATOM   220  H HA    . VAL   A 1 14  ? -9.990  -13.298 2.581   1.000 9.536  0 126 VAL   A HA    1 c 
ATOM   221  H HB    . VAL   A 1 14  ? -11.608 -12.053 3.637   1.000 9.617  0 126 VAL   A HB    1 c 
ATOM   222  H HG11  . VAL   A 1 14  ? -10.538 -10.581 1.464   1.000 9.935  0 126 VAL   A HG11  1 c 
ATOM   223  H HG12  . VAL   A 1 14  ? -9.817  -10.803 2.859   1.000 9.915  0 126 VAL   A HG12  1 c 
ATOM   224  H HG13  . VAL   A 1 14  ? -11.130 -9.917  2.777   1.000 9.911  0 126 VAL   A HG13  1 c 
ATOM   225  H HG21  . VAL   A 1 14  ? -13.300 -10.903 2.455   1.000 9.452  0 126 VAL   A HG21  1 c 
ATOM   226  H HG22  . VAL   A 1 14  ? -13.500 -12.474 2.380   1.000 9.459  0 126 VAL   A HG22  1 c 
ATOM   227  H HG23  . VAL   A 1 14  ? -12.897 -11.691 1.139   1.000 9.435  0 126 VAL   A HG23  1 c 
ATOM   228  N N     . VAL   A 1 15  ? -11.650 -14.886 3.656   1.000 10.084 0 127 VAL   A N     1 ? 
ATOM   229  C CA    . VAL   A 1 15  ? -12.333 -16.087 4.122   1.000 10.357 0 127 VAL   A CA    1 ? 
ATOM   230  C C     . VAL   A 1 15  ? -12.865 -15.805 5.522   1.000 9.742  0 127 VAL   A C     1 ? 
ATOM   231  O O     . VAL   A 1 15  ? -12.281 -15.000 6.245   1.000 9.425  0 127 VAL   A O     1 ? 
ATOM   232  C CB    . VAL   A 1 15  ? -11.393 -17.307 4.161   1.000 11.873 0 127 VAL   A CB    1 ? 
ATOM   233  C CG1   . VAL   A 1 15  ? -10.920 -17.724 2.781   1.000 12.509 0 127 VAL   A CG1   1 ? 
ATOM   234  C CG2   . VAL   A 1 15  ? -10.190 -17.080 5.065   1.000 12.096 0 127 VAL   A CG2   1 ? 
ATOM   235  H H     . VAL   A 1 15  ? -11.188 -14.389 4.268   1.000 10.078 0 127 VAL   A H     1 c 
ATOM   236  H HA    . VAL   A 1 15  ? -13.081 -16.277 3.525   1.000 10.369 0 127 VAL   A HA    1 c 
ATOM   237  H HB    . VAL   A 1 15  ? -11.910 -18.057 4.537   1.000 11.706 0 127 VAL   A HB    1 c 
ATOM   238  H HG11  . VAL   A 1 15  ? -10.447 -16.986 2.362   1.000 12.387 0 127 VAL   A HG11  1 c 
ATOM   239  H HG12  . VAL   A 1 15  ? -11.685 -17.970 2.237   1.000 12.442 0 127 VAL   A HG12  1 c 
ATOM   240  H HG13  . VAL   A 1 15  ? -10.322 -18.487 2.860   1.000 12.397 0 127 VAL   A HG13  1 c 
ATOM   241  H HG21  . VAL   A 1 15  ? -9.606  -17.856 5.028   1.000 12.046 0 127 VAL   A HG21  1 c 
ATOM   242  H HG22  . VAL   A 1 15  ? -10.488 -16.945 5.979   1.000 12.049 0 127 VAL   A HG22  1 c 
ATOM   243  H HG23  . VAL   A 1 15  ? -9.702  -16.295 4.765   1.000 12.064 0 127 VAL   A HG23  1 c 
ATOM   244  N N     . PRO   A 1 16  ? -13.953 -16.469 5.966   1.000 9.999  0 128 PRO   A N     1 ? 
ATOM   245  C CA    . PRO   A 1 16  ? -14.375 -16.355 7.359   1.000 10.072 0 128 PRO   A CA    1 ? 
ATOM   246  C C     . PRO   A 1 16  ? -13.226 -16.660 8.321   1.000 10.082 0 128 PRO   A C     1 ? 
ATOM   247  O O     . PRO   A 1 16  ? -12.433 -17.570 8.081   1.000 10.190 0 128 PRO   A O     1 ? 
ATOM   248  C CB    . PRO   A 1 16  ? -15.539 -17.343 7.464   1.000 10.543 0 128 PRO   A CB    1 ? 
ATOM   249  C CG    . PRO   A 1 16  ? -16.114 -17.341 6.069   1.000 10.711 0 128 PRO   A CG    1 ? 
ATOM   250  C CD    . PRO   A 1 16  ? -14.884 -17.283 5.168   1.000 10.431 0 128 PRO   A CD    1 ? 
ATOM   251  H HA    . PRO   A 1 16  ? -14.709 -15.438 7.510   1.000 10.125 0 128 PRO   A HA    1 c 
ATOM   252  H HB2   . PRO   A 1 16  ? -15.221 -18.242 7.715   1.000 10.499 0 128 PRO   A HB2   1 c 
ATOM   253  H HB3   . PRO   A 1 16  ? -16.206 -17.037 8.123   1.000 10.509 0 128 PRO   A HB3   1 c 
ATOM   254  H HG2   . PRO   A 1 16  ? -16.633 -18.155 5.901   1.000 10.657 0 128 PRO   A HG2   1 c 
ATOM   255  H HG3   . PRO   A 1 16  ? -16.689 -16.561 5.927   1.000 10.654 0 128 PRO   A HG3   1 c 
ATOM   256  H HD2   . PRO   A 1 16  ? -14.523 -18.182 5.002   1.000 10.404 0 128 PRO   A HD2   1 c 
ATOM   257  H HD3   . PRO   A 1 16  ? -15.095 -16.852 4.311   1.000 10.403 0 128 PRO   A HD3   1 c 
ATOM   258  N N     A ARG   A 1 17  ? -13.170 -15.853 9.389   0.500 10.180 0 129 ARG   A N     1 ? 
ATOM   259  N N     B ARG   A 1 17  ? -13.170 -15.879 9.409   0.500 10.123 0 129 ARG   A N     1 ? 
ATOM   260  C CA    A ARG   A 1 17  ? -12.213 -15.947 10.489  0.500 10.507 0 129 ARG   A CA    1 ? 
ATOM   261  C CA    B ARG   A 1 17  ? -12.186 -15.980 10.486  0.500 10.419 0 129 ARG   A CA    1 ? 
ATOM   262  C C     A ARG   A 1 17  ? -10.899 -15.244 10.141  0.500 10.186 0 129 ARG   A C     1 ? 
ATOM   263  C C     B ARG   A 1 17  ? -10.921 -15.180 10.172  0.500 10.133 0 129 ARG   A C     1 ? 
ATOM   264  O O     A ARG   A 1 17  ? -9.963  -15.278 10.936  0.500 10.639 0 129 ARG   A O     1 ? 
ATOM   265  O O     B ARG   A 1 17  ? -10.041 -15.074 11.025  0.500 10.395 0 129 ARG   A O     1 ? 
ATOM   266  C CB    A ARG   A 1 17  ? -12.006 -17.388 10.968  0.500 11.280 0 129 ARG   A CB    1 ? 
ATOM   267  C CB    B ARG   A 1 17  ? -11.807 -17.411 10.888  0.500 11.096 0 129 ARG   A CB    1 ? 
ATOM   268  C CG    A ARG   A 1 17  ? -13.303 -18.057 11.401  0.500 12.183 0 129 ARG   A CG    1 ? 
ATOM   269  C CG    B ARG   A 1 17  ? -12.935 -18.161 11.580  0.500 11.800 0 129 ARG   A CG    1 ? 
ATOM   270  C CD    A ARG   A 1 17  ? -13.096 -19.471 11.922  0.500 13.191 0 129 ARG   A CD    1 ? 
ATOM   271  C CD    B ARG   A 1 17  ? -12.453 -19.443 12.236  0.500 12.650 0 129 ARG   A CD    1 ? 
ATOM   272  N NE    A ARG   A 1 17  ? -12.688 -20.399 10.864  0.500 14.389 0 129 ARG   A NE    1 ? 
ATOM   273  N NE    B ARG   A 1 17  ? -11.963 -20.406 11.248  0.500 13.576 0 129 ARG   A NE    1 ? 
ATOM   274  C CZ    A ARG   A 1 17  ? -13.505 -20.965 9.983   0.500 15.406 0 129 ARG   A CZ    1 ? 
ATOM   275  C CZ    B ARG   A 1 17  ? -10.686 -20.685 11.031  0.500 14.930 0 129 ARG   A CZ    1 ? 
ATOM   276  N NH1   A ARG   A 1 17  ? -13.018 -21.755 9.043   0.500 16.222 0 129 ARG   A NH1   1 ? 
ATOM   277  N NH1   B ARG   A 1 17  ? -10.348 -21.562 10.102  0.500 15.713 0 129 ARG   A NH1   1 ? 
ATOM   278  N NH2   A ARG   A 1 17  ? -14.805 -20.741 10.038  0.500 15.499 0 129 ARG   A NH2   1 ? 
ATOM   279  N NH2   B ARG   A 1 17  ? -9.752  -20.078 11.738  0.500 15.544 0 129 ARG   A NH2   1 ? 
ATOM   280  H H     A ARG   A 1 17  ? -13.793 -15.186 9.434   0.500 10.210 0 129 ARG   A H     1 c 
ATOM   281  H H     B ARG   A 1 17  ? -13.810 -15.231 9.486   0.500 10.162 0 129 ARG   A H     1 c 
ATOM   282  H HA    A ARG   A 1 17  ? -12.606 -15.460 11.258  0.500 10.496 0 129 ARG   A HA    1 c 
ATOM   283  H HA    B ARG   A 1 17  ? -12.595 -15.572 11.292  0.500 10.407 0 129 ARG   A HA    1 c 
ATOM   284  H HB2   A ARG   A 1 17  ? -11.596 -17.915 10.250  0.500 11.258 0 129 ARG   A HB2   1 c 
ATOM   285  H HB2   B ARG   A 1 17  ? -11.533 -17.911 10.091  0.500 11.128 0 129 ARG   A HB2   1 c 
ATOM   286  H HB3   A ARG   A 1 17  ? -11.383 -17.382 11.726  0.500 11.259 0 129 ARG   A HB3   1 c 
ATOM   287  H HB3   B ARG   A 1 17  ? -11.036 -17.373 11.494  0.500 11.084 0 129 ARG   A HB3   1 c 
ATOM   288  H HG2   A ARG   A 1 17  ? -13.722 -17.518 12.107  0.500 12.155 0 129 ARG   A HG2   1 c 
ATOM   289  H HG2   B ARG   A 1 17  ? -13.336 -17.583 12.266  0.500 11.787 0 129 ARG   A HG2   1 c 
ATOM   290  H HG3   A ARG   A 1 17  ? -13.921 -18.088 10.640  0.500 12.159 0 129 ARG   A HG3   1 c 
ATOM   291  H HG3   B ARG   A 1 17  ? -13.630 -18.381 10.922  0.500 11.793 0 129 ARG   A HG3   1 c 
ATOM   292  H HD2   A ARG   A 1 17  ? -12.411 -19.458 12.622  0.500 13.163 0 129 ARG   A HD2   1 c 
ATOM   293  H HD2   B ARG   A 1 17  ? -11.734 -19.234 12.867  0.500 12.636 0 129 ARG   A HD2   1 c 
ATOM   294  H HD3   A ARG   A 1 17  ? -13.931 -19.788 12.324  0.500 13.180 0 129 ARG   A HD3   1 c 
ATOM   295  H HD3   B ARG   A 1 17  ? -13.190 -19.844 12.738  0.500 12.635 0 129 ARG   A HD3   1 c 
ATOM   296  H HE    A ARG   A 1 17  ? -11.842 -20.598 10.804  0.500 14.310 0 129 ARG   A HE    1 c 
ATOM   297  H HE    B ARG   A 1 17  ? -12.553 -20.829 10.765  0.500 13.574 0 129 ARG   A HE    1 c 
ATOM   298  H HH11  A ARG   A 1 17  ? -13.567 -22.149 8.473   0.500 16.073 0 129 ARG   A HH11  1 c 
ATOM   299  H HH11  B ARG   A 1 17  ? -9.494  -21.731 9.948   0.500 15.572 0 129 ARG   A HH11  1 c 
ATOM   300  H HH12  A ARG   A 1 17  ? -12.146 -21.888 8.990   0.500 16.063 0 129 ARG   A HH12  1 c 
ATOM   301  H HH12  B ARG   A 1 17  ? -10.978 -21.977 9.640   0.500 15.578 0 129 ARG   A HH12  1 c 
ATOM   302  H HH21  A ARG   A 1 17  ? -15.344 -21.134 9.458   0.500 15.467 0 129 ARG   A HH21  1 c 
ATOM   303  H HH21  B ARG   A 1 17  ? -8.900  -20.268 11.594  0.500 15.415 0 129 ARG   A HH21  1 c 
ATOM   304  H HH22  A ARG   A 1 17  ? -15.131 -20.199 10.656  0.500 15.473 0 129 ARG   A HH22  1 c 
ATOM   305  H HH22  B ARG   A 1 17  ? -9.981  -19.483 12.350  0.500 15.431 0 129 ARG   A HH22  1 c 
ATOM   306  N N     . MET   A 1 18  ? -10.838 -14.584 8.979   1.000 9.724  0 130 MET   A N     1 ? 
ATOM   307  C CA    . MET   A 1 18  ? -9.729  -13.696 8.660   1.000 9.568  0 130 MET   A CA    1 ? 
ATOM   308  C C     . MET   A 1 18  ? -9.953  -12.345 9.334   1.000 9.571  0 130 MET   A C     1 ? 
ATOM   309  O O     . MET   A 1 18  ? -11.010 -11.736 9.172   1.000 9.709  0 130 MET   A O     1 ? 
ATOM   310  C CB    . MET   A 1 18  ? -9.624  -13.502 7.149   1.000 9.834  0 130 MET   A CB    1 ? 
ATOM   311  C CG    . MET   A 1 18  ? -8.379  -12.776 6.689   1.000 10.103 0 130 MET   A CG    1 ? 
ATOM   312  S SD    . MET   A 1 18  ? -8.278  -12.862 4.896   1.000 11.580 0 130 MET   A SD    1 ? 
ATOM   313  C CE    . MET   A 1 18  ? -6.797  -11.900 4.560   1.000 11.552 0 130 MET   A CE    1 ? 
ATOM   314  H H     . MET   A 1 18  ? -11.490 -14.714 8.353   1.000 9.794  0 130 MET   A H     1 c 
ATOM   315  H HA    . MET   A 1 18  ? -8.890  -14.097 9.001   1.000 9.677  0 130 MET   A HA    1 c 
ATOM   316  H HB2   . MET   A 1 18  ? -9.651  -14.384 6.720   1.000 9.825  0 130 MET   A HB2   1 c 
ATOM   317  H HB3   . MET   A 1 18  ? -10.411 -13.002 6.844   1.000 9.824  0 130 MET   A HB3   1 c 
ATOM   318  H HG2   . MET   A 1 18  ? -8.414  -11.841 6.971   1.000 10.212 0 130 MET   A HG2   1 c 
ATOM   319  H HG3   . MET   A 1 18  ? -7.586  -13.191 7.083   1.000 10.195 0 130 MET   A HG3   1 c 
ATOM   320  H HE1   . MET   A 1 18  ? -6.636  -11.876 3.599   1.000 11.584 0 130 MET   A HE1   1 c 
ATOM   321  H HE2   . MET   A 1 18  ? -6.919  -10.991 4.893   1.000 11.543 0 130 MET   A HE2   1 c 
ATOM   322  H HE3   . MET   A 1 18  ? -6.035  -12.311 5.008   1.000 11.563 0 130 MET   A HE3   1 c 
ATOM   323  N N     . LEU   A 1 19  ? -8.945  -11.911 10.098  1.000 9.587  0 131 LEU   A N     1 ? 
ATOM   324  C CA    . LEU   A 1 19  ? -8.984  -10.669 10.855  1.000 10.012 0 131 LEU   A CA    1 ? 
ATOM   325  C C     . LEU   A 1 19  ? -7.945  -9.711  10.282  1.000 9.951  0 131 LEU   A C     1 ? 
ATOM   326  O O     . LEU   A 1 19  ? -6.757  -10.026 10.292  1.000 10.721 0 131 LEU   A O     1 ? 
ATOM   327  C CB    . LEU   A 1 19  ? -8.699  -10.986 12.323  1.000 10.782 0 131 LEU   A CB    1 ? 
ATOM   328  C CG    . LEU   A 1 19  ? -8.664  -9.792  13.284  1.000 11.674 0 131 LEU   A CG    1 ? 
ATOM   329  C CD1   . LEU   A 1 19  ? -10.035 -9.154  13.416  1.000 11.708 0 131 LEU   A CD1   1 ? 
ATOM   330  C CD2   . LEU   A 1 19  ? -8.138  -10.214 14.641  1.000 12.308 0 131 LEU   A CD2   1 ? 
ATOM   331  H H     . LEU   A 1 19  ? -8.189  -12.421 10.147  1.000 9.640  0 131 LEU   A H     1 c 
ATOM   332  H HA    . LEU   A 1 19  ? -9.886  -10.269 10.771  1.000 10.022 0 131 LEU   A HA    1 c 
ATOM   333  H HB2   . LEU   A 1 19  ? -9.386  -11.618 12.638  1.000 10.789 0 131 LEU   A HB2   1 c 
ATOM   334  H HB3   . LEU   A 1 19  ? -7.831  -11.449 12.372  1.000 10.780 0 131 LEU   A HB3   1 c 
ATOM   335  H HG    . LEU   A 1 19  ? -8.043  -9.113  12.914  1.000 11.618 0 131 LEU   A HG    1 c 
ATOM   336  H HD11  . LEU   A 1 19  ? -10.322 -8.814  12.552  1.000 11.683 0 131 LEU   A HD11  1 c 
ATOM   337  H HD12  . LEU   A 1 19  ? -9.991  -8.423  14.053  1.000 11.692 0 131 LEU   A HD12  1 c 
ATOM   338  H HD13  . LEU   A 1 19  ? -10.673 -9.817  13.730  1.000 11.691 0 131 LEU   A HD13  1 c 
ATOM   339  H HD21  . LEU   A 1 19  ? -7.246  -10.585 14.542  1.000 12.274 0 131 LEU   A HD21  1 c 
ATOM   340  H HD22  . LEU   A 1 19  ? -8.726  -10.886 15.024  1.000 12.221 0 131 LEU   A HD22  1 c 
ATOM   341  H HD23  . LEU   A 1 19  ? -8.103  -9.442  15.231  1.000 12.208 0 131 LEU   A HD23  1 c 
ATOM   342  N N     . ILE   A 1 20  ? -8.406  -8.558  9.782   1.000 9.410  0 132 ILE   A N     1 ? 
ATOM   343  C CA    . ILE   A 1 20  ? -7.526  -7.535  9.232   1.000 9.884  0 132 ILE   A CA    1 ? 
ATOM   344  C C     . ILE   A 1 20  ? -7.399  -6.422  10.271  1.000 10.094 0 132 ILE   A C     1 ? 
ATOM   345  O O     . ILE   A 1 20  ? -8.410  -5.925  10.762  1.000 10.763 0 132 ILE   A O     1 ? 
ATOM   346  C CB    . ILE   A 1 20  ? -8.052  -7.022  7.876   1.000 10.815 0 132 ILE   A CB    1 ? 
ATOM   347  C CG1   . ILE   A 1 20  ? -8.233  -8.162  6.860   1.000 11.386 0 132 ILE   A CG1   1 ? 
ATOM   348  C CG2   . ILE   A 1 20  ? -7.134  -5.938  7.312   1.000 11.250 0 132 ILE   A CG2   1 ? 
ATOM   349  C CD1   . ILE   A 1 20  ? -9.628  -8.759  6.813   1.000 11.937 0 132 ILE   A CD1   1 ? 
ATOM   350  H H     . ILE   A 1 20  ? -9.306  -8.401  9.789   1.000 9.588  0 132 ILE   A H     1 c 
ATOM   351  H HA    . ILE   A 1 20  ? -6.646  -7.930  9.086   1.000 9.938  0 132 ILE   A HA    1 c 
ATOM   352  H HB    . ILE   A 1 20  ? -8.929  -6.620  8.031   1.000 10.780 0 132 ILE   A HB    1 c 
ATOM   353  H HG12  . ILE   A 1 20  ? -8.009  -7.826  5.968   1.000 11.348 0 132 ILE   A HG12  1 c 
ATOM   354  H HG13  . ILE   A 1 20  ? -7.598  -8.875  7.076   1.000 11.376 0 132 ILE   A HG13  1 c 
ATOM   355  H HG21  . ILE   A 1 20  ? -7.470  -5.644  6.449   1.000 11.166 0 132 ILE   A HG21  1 c 
ATOM   356  H HG22  . ILE   A 1 20  ? -6.237  -6.295  7.203   1.000 11.182 0 132 ILE   A HG22  1 c 
ATOM   357  H HG23  . ILE   A 1 20  ? -7.107  -5.181  7.921   1.000 11.192 0 132 ILE   A HG23  1 c 
ATOM   358  H HD11  . ILE   A 1 20  ? -9.862  -9.130  7.684   1.000 11.825 0 132 ILE   A HD11  1 c 
ATOM   359  H HD12  . ILE   A 1 20  ? -9.654  -9.468  6.143   1.000 11.840 0 132 ILE   A HD12  1 c 
ATOM   360  H HD13  . ILE   A 1 20  ? -10.270 -8.065  6.573   1.000 11.837 0 132 ILE   A HD13  1 c 
ATOM   361  N N     . THR   A 1 21  ? -6.153  -6.074  10.624  1.000 10.158 0 133 THR   A N     1 ? 
ATOM   362  C CA    . THR   A 1 21  ? -5.865  -5.064  11.637  1.000 10.285 0 133 THR   A CA    1 ? 
ATOM   363  C C     . THR   A 1 21  ? -5.121  -3.897  10.994  1.000 10.094 0 133 THR   A C     1 ? 
ATOM   364  O O     . THR   A 1 21  ? -4.054  -4.086  10.408  1.000 10.931 0 133 THR   A O     1 ? 
ATOM   365  C CB    . THR   A 1 21  ? -5.039  -5.662  12.780  1.000 10.550 0 133 THR   A CB    1 ? 
ATOM   366  O OG1   . THR   A 1 21  ? -5.816  -6.686  13.393  1.000 11.281 0 133 THR   A OG1   1 ? 
ATOM   367  C CG2   . THR   A 1 21  ? -4.685  -4.643  13.849  1.000 10.777 0 133 THR   A CG2   1 ? 
ATOM   368  H H     . THR   A 1 21  ? -5.450  -6.486  10.212  1.000 10.167 0 133 THR   A H     1 c 
ATOM   369  H HA    . THR   A 1 21  ? -6.713  -4.739  12.006  1.000 10.259 0 133 THR   A HA    1 c 
ATOM   370  H HB    . THR   A 1 21  ? -4.209  -6.054  12.419  1.000 10.620 0 133 THR   A HB    1 c 
ATOM   371  H HG1   . THR   A 1 21  ? -6.548  -6.359  13.704  0.000 11.880 0 133 THR   A HG1   1 c 
ATOM   372  H HG21  . THR   A 1 21  ? -4.194  -5.081  14.564  1.000 10.743 0 133 THR   A HG21  1 c 
ATOM   373  H HG22  . THR   A 1 21  ? -5.499  -4.252  14.209  1.000 10.752 0 133 THR   A HG22  1 c 
ATOM   374  H HG23  . THR   A 1 21  ? -4.133  -3.942  13.463  1.000 10.746 0 133 THR   A HG23  1 c 
ATOM   375  N N     . ILE   A 1 22  ? -5.691  -2.695  11.137  1.000 9.447  0 134 ILE   A N     1 ? 
ATOM   376  C CA    . ILE   A 1 22  ? -5.094  -1.454  10.656  1.000 9.319  0 134 ILE   A CA    1 ? 
ATOM   377  C C     . ILE   A 1 22  ? -4.771  -0.588  11.871  1.000 9.014  0 134 ILE   A C     1 ? 
ATOM   378  O O     . ILE   A 1 22  ? -5.673  -0.287  12.647  1.000 9.259  0 134 ILE   A O     1 ? 
ATOM   379  C CB    . ILE   A 1 22  ? -6.050  -0.718  9.698   1.000 9.843  0 134 ILE   A CB    1 ? 
ATOM   380  C CG1   . ILE   A 1 22  ? -6.525  -1.619  8.547   1.000 10.782 0 134 ILE   A CG1   1 ? 
ATOM   381  C CG2   . ILE   A 1 22  ? -5.425  0.580   9.179   1.000 9.807  0 134 ILE   A CG2   1 ? 
ATOM   382  C CD1   . ILE   A 1 22  ? -5.416  -2.310  7.780   1.000 11.860 0 134 ILE   A CD1   1 ? 
ATOM   383  H H     . ILE   A 1 22  ? -6.500  -2.647  11.559  1.000 9.517  0 134 ILE   A H     1 c 
ATOM   384  H HA    . ILE   A 1 22  ? -4.267  -1.661  10.181  1.000 9.369  0 134 ILE   A HA    1 c 
ATOM   385  H HB    . ILE   A 1 22  ? -6.843  -0.473  10.215  1.000 9.840  0 134 ILE   A HB    1 c 
ATOM   386  H HG12  . ILE   A 1 22  ? -7.124  -2.302  8.912   1.000 10.759 0 134 ILE   A HG12  1 c 
ATOM   387  H HG13  . ILE   A 1 22  ? -7.044  -1.075  7.920   1.000 10.764 0 134 ILE   A HG13  1 c 
ATOM   388  H HG21  . ILE   A 1 22  ? -6.039  1.012   8.562   1.000 9.804  0 134 ILE   A HG21  1 c 
ATOM   389  H HG22  . ILE   A 1 22  ? -4.593  0.380   8.719   1.000 9.825  0 134 ILE   A HG22  1 c 
ATOM   390  H HG23  . ILE   A 1 22  ? -5.246  1.178   9.924   1.000 9.803  0 134 ILE   A HG23  1 c 
ATOM   391  H HD11  . ILE   A 1 22  ? -4.796  -1.642  7.433   1.000 11.655 0 134 ILE   A HD11  1 c 
ATOM   392  H HD12  . ILE   A 1 22  ? -5.801  -2.811  7.036   1.000 11.688 0 134 ILE   A HD12  1 c 
ATOM   393  H HD13  . ILE   A 1 22  ? -4.935  -2.923  8.365   1.000 11.627 0 134 ILE   A HD13  1 c 
ATOM   394  N N     . LEU   A 1 23  ? -3.497  -0.193  12.004  1.000 8.719  0 135 LEU   A N     1 ? 
ATOM   395  C CA    . LEU   A 1 23  ? -3.018  0.653   13.092  1.000 8.867  0 135 LEU   A CA    1 ? 
ATOM   396  C C     . LEU   A 1 23  ? -2.507  1.963   12.507  1.000 8.585  0 135 LEU   A C     1 ? 
ATOM   397  O O     . LEU   A 1 23  ? -1.763  1.958   11.528  1.000 8.361  0 135 LEU   A O     1 ? 
ATOM   398  C CB    . LEU   A 1 23  ? -1.888  -0.030  13.862  1.000 9.884  0 135 LEU   A CB    1 ? 
ATOM   399  C CG    . LEU   A 1 23  ? -2.281  -1.244  14.708  1.000 11.011 0 135 LEU   A CG    1 ? 
ATOM   400  C CD1   . LEU   A 1 23  ? -1.071  -2.095  15.071  1.000 11.606 0 135 LEU   A CD1   1 ? 
ATOM   401  C CD2   . LEU   A 1 23  ? -3.011  -0.790  15.957  1.000 11.762 0 135 LEU   A CD2   1 ? 
ATOM   402  H H     . LEU   A 1 23  ? -2.892  -0.469  11.376  1.000 8.789  0 135 LEU   A H     1 c 
ATOM   403  H HA    . LEU   A 1 23  ? -3.771  0.842   13.705  1.000 8.927  0 135 LEU   A HA    1 c 
ATOM   404  H HB2   . LEU   A 1 23  ? -1.203  -0.312  13.214  1.000 9.840  0 135 LEU   A HB2   1 c 
ATOM   405  H HB3   . LEU   A 1 23  ? -1.472  0.638   14.455  1.000 9.840  0 135 LEU   A HB3   1 c 
ATOM   406  H HG    . LEU   A 1 23  ? -2.902  -1.804  14.175  1.000 10.946 0 135 LEU   A HG    1 c 
ATOM   407  H HD11  . LEU   A 1 23  ? -0.656  -2.433  14.262  1.000 11.484 0 135 LEU   A HD11  1 c 
ATOM   408  H HD12  . LEU   A 1 23  ? -1.354  -2.842  15.624  1.000 11.516 0 135 LEU   A HD12  1 c 
ATOM   409  H HD13  . LEU   A 1 23  ? -0.429  -1.555  15.562  1.000 11.514 0 135 LEU   A HD13  1 c 
ATOM   410  H HD21  . LEU   A 1 23  ? -3.814  -0.304  15.705  1.000 11.557 0 135 LEU   A HD21  1 c 
ATOM   411  H HD22  . LEU   A 1 23  ? -2.433  -0.209  16.479  1.000 11.636 0 135 LEU   A HD22  1 c 
ATOM   412  H HD23  . LEU   A 1 23  ? -3.257  -1.565  16.489  1.000 11.612 0 135 LEU   A HD23  1 c 
ATOM   413  N N     . GLY   A 1 24  ? -2.867  3.076   13.138  1.000 8.644  0 136 GLY   A N     1 ? 
ATOM   414  C CA    . GLY   A 1 24  ? -2.317  4.358   12.743  1.000 9.020  0 136 GLY   A CA    1 ? 
ATOM   415  C C     . GLY   A 1 24  ? -2.670  5.426   13.759  1.000 8.985  0 136 GLY   A C     1 ? 
ATOM   416  O O     . GLY   A 1 24  ? -3.042  5.102   14.883  1.000 9.601  0 136 GLY   A O     1 ? 
ATOM   417  H H     . GLY   A 1 24  ? -3.468  3.041   13.825  1.000 8.654  0 136 GLY   A H     1 c 
ATOM   418  H HA2   . GLY   A 1 24  ? -1.337  4.283   12.667  1.000 8.962  0 136 GLY   A HA2   1 c 
ATOM   419  H HA3   . GLY   A 1 24  ? -2.676  4.606   11.860  1.000 8.989  0 136 GLY   A HA3   1 c 
ATOM   420  N N     . THR   A 1 25  ? -2.546  6.683   13.336  1.000 8.825  0 137 THR   A N     1 ? 
ATOM   421  C CA    . THR   A 1 25  ? -2.941  7.827   14.142  1.000 9.083  0 137 THR   A CA    1 ? 
ATOM   422  C C     . THR   A 1 25  ? -3.777  8.746   13.257  1.000 8.845  0 137 THR   A C     1 ? 
ATOM   423  O O     . THR   A 1 25  ? -3.408  8.999   12.109  1.000 9.385  0 137 THR   A O     1 ? 
ATOM   424  C CB    . THR   A 1 25  ? -1.707  8.528   14.716  1.000 9.609  0 137 THR   A CB    1 ? 
ATOM   425  O OG1   . THR   A 1 25  ? -1.031  7.596   15.556  1.000 10.735 0 137 THR   A OG1   1 ? 
ATOM   426  C CG2   . THR   A 1 25  ? -2.060  9.752   15.542  1.000 9.657  0 137 THR   A CG2   1 ? 
ATOM   427  H H     . THR   A 1 25  ? -2.197  6.834   12.505  1.000 8.844  0 137 THR   A H     1 c 
ATOM   428  H HA    . THR   A 1 25  ? -3.495  7.512   14.886  1.000 9.088  0 137 THR   A HA    1 c 
ATOM   429  H HB    . THR   A 1 25  ? -1.106  8.797   13.981  1.000 9.657  0 137 THR   A HB    1 c 
ATOM   430  H HG1   . THR   A 1 25  ? -1.541  7.335   16.200  0.000 11.478 0 137 THR   A HG1   1 c 
ATOM   431  H HG21  . THR   A 1 25  ? -1.247  10.143  15.906  1.000 9.641  0 137 THR   A HG21  1 c 
ATOM   432  H HG22  . THR   A 1 25  ? -2.647  9.493   16.272  1.000 9.642  0 137 THR   A HG22  1 c 
ATOM   433  H HG23  . THR   A 1 25  ? -2.509  10.406  14.982  1.000 9.645  0 137 THR   A HG23  1 c 
ATOM   434  N N     . VAL   A 1 26  ? -4.923  9.204   13.769  1.000 8.920  0 138 VAL   A N     1 ? 
ATOM   435  C CA    . VAL   A 1 26  ? -5.770  10.138  13.035  1.000 9.578  0 138 VAL   A CA    1 ? 
ATOM   436  C C     . VAL   A 1 26  ? -5.059  11.486  13.008  1.000 9.972  0 138 VAL   A C     1 ? 
ATOM   437  O O     . VAL   A 1 26  ? -4.554  11.933  14.032  1.000 10.150 0 138 VAL   A O     1 ? 
ATOM   438  C CB    . VAL   A 1 26  ? -7.179  10.260  13.644  1.000 10.230 0 138 VAL   A CB    1 ? 
ATOM   439  C CG1   . VAL   A 1 26  ? -8.050  11.238  12.864  1.000 10.137 0 138 VAL   A CG1   1 ? 
ATOM   440  C CG2   . VAL   A 1 26  ? -7.862  8.901   13.739  1.000 10.925 0 138 VAL   A CG2   1 ? 
ATOM   441  H H     . VAL   A 1 26  ? -5.181  8.935   14.603  1.000 8.990  0 138 VAL   A H     1 c 
ATOM   442  H HA    . VAL   A 1 26  ? -5.860  9.814   12.118  1.000 9.594  0 138 VAL   A HA    1 c 
ATOM   443  H HB    . VAL   A 1 26  ? -7.072  10.611  14.559  1.000 10.216 0 138 VAL   A HB    1 c 
ATOM   444  H HG11  . VAL   A 1 26  ? -8.123  10.943  11.941  1.000 10.158 0 138 VAL   A HG11  1 c 
ATOM   445  H HG12  . VAL   A 1 26  ? -7.652  12.123  12.889  1.000 10.168 0 138 VAL   A HG12  1 c 
ATOM   446  H HG13  . VAL   A 1 26  ? -8.936  11.272  13.262  1.000 10.152 0 138 VAL   A HG13  1 c 
ATOM   447  H HG21  . VAL   A 1 26  ? -8.755  9.012   14.107  1.000 10.794 0 138 VAL   A HG21  1 c 
ATOM   448  H HG22  . VAL   A 1 26  ? -7.347  8.316   14.318  1.000 10.790 0 138 VAL   A HG22  1 c 
ATOM   449  H HG23  . VAL   A 1 26  ? -7.925  8.506   12.853  1.000 10.856 0 138 VAL   A HG23  1 c 
ATOM   450  N N     . LYS   A 1 27  ? -5.007  12.132  11.839  1.000 10.538 0 139 LYS   A N     1 ? 
ATOM   451  C CA    . LYS   A 1 27  ? -4.361  13.433  11.736  1.000 11.855 0 139 LYS   A CA    1 ? 
ATOM   452  C C     . LYS   A 1 27  ? -5.128  14.461  12.564  1.000 12.245 0 139 LYS   A C     1 ? 
ATOM   453  O O     . LYS   A 1 27  ? -6.335  14.315  12.767  1.000 12.104 0 139 LYS   A O     1 ? 
ATOM   454  C CB    . LYS   A 1 27  ? -4.272  13.888  10.276  1.000 12.779 0 139 LYS   A CB    1 ? 
ATOM   455  C CG    . LYS   A 1 27  ? -3.253  13.120  9.453   1.000 14.332 0 139 LYS   A CG    1 ? 
ATOM   456  C CD    . LYS   A 1 27  ? -3.002  13.686  8.063   1.000 16.015 0 139 LYS   A CD    1 ? 
ATOM   457  C CE    . LYS   A 1 27  ? -1.940  12.936  7.316   1.000 18.193 0 139 LYS   A CE    1 ? 
ATOM   458  N NZ    . LYS   A 1 27  ? -0.634  13.007  7.983   1.000 19.881 0 139 LYS   A NZ    1 ? 
ATOM   459  H H     . LYS   A 1 27  ? -5.377  11.757  11.093  1.000 10.573 0 139 LYS   A H     1 c 
ATOM   460  H HA    . LYS   A 1 27  ? -3.444  13.347  12.097  1.000 11.837 0 139 LYS   A HA    1 c 
ATOM   461  H HB2   . LYS   A 1 27  ? -5.154  13.785  9.858   1.000 12.810 0 139 LYS   A HB2   1 c 
ATOM   462  H HB3   . LYS   A 1 27  ? -4.040  14.841  10.252  1.000 12.807 0 139 LYS   A HB3   1 c 
ATOM   463  H HG2   . LYS   A 1 27  ? -2.406  13.108  9.949   1.000 14.267 0 139 LYS   A HG2   1 c 
ATOM   464  H HG3   . LYS   A 1 27  ? -3.560  12.192  9.367   1.000 14.224 0 139 LYS   A HG3   1 c 
ATOM   465  H HD2   . LYS   A 1 27  ? -3.838  13.655  7.549   1.000 15.956 0 139 LYS   A HD2   1 c 
ATOM   466  H HD3   . LYS   A 1 27  ? -2.731  14.627  8.145   1.000 15.963 0 139 LYS   A HD3   1 c 
ATOM   467  H HE2   . LYS   A 1 27  ? -2.202  12.001  7.236   1.000 18.008 0 139 LYS   A HE2   1 c 
ATOM   468  H HE3   . LYS   A 1 27  ? -1.856  13.304  6.419   1.000 18.091 0 139 LYS   A HE3   1 c 
ATOM   469  H HZ1   . LYS   A 1 27  ? -0.653  12.552  8.766   1.000 19.553 0 139 LYS   A HZ1   1 c 
ATOM   470  H HZ2   . LYS   A 1 27  ? -0.420  13.873  8.145   1.000 19.559 0 139 LYS   A HZ2   1 c 
ATOM   471  H HZ3   . LYS   A 1 27  ? -0.001  12.641  7.448   1.000 19.585 0 139 LYS   A HZ3   1 c 
ATOM   472  N N     A PRO   A 1 28  ? -4.485  15.545  13.056  0.500 13.168 0 140 PRO   A N     1 ? 
ATOM   473  N N     B PRO   A 1 28  ? -4.445  15.545  13.025  0.500 13.389 0 140 PRO   A N     1 ? 
ATOM   474  C CA    A PRO   A 1 28  ? -5.158  16.491  13.951  0.500 13.918 0 140 PRO   A CA    1 ? 
ATOM   475  C CA    B PRO   A 1 28  ? -5.156  16.643  13.669  0.500 14.364 0 140 PRO   A CA    1 ? 
ATOM   476  C C     A PRO   A 1 28  ? -6.416  17.154  13.398  0.500 14.966 0 140 PRO   A C     1 ? 
ATOM   477  C C     B PRO   A 1 28  ? -5.971  17.274  12.543  0.500 15.473 0 140 PRO   A C     1 ? 
ATOM   478  O O     A PRO   A 1 28  ? -7.357  17.418  14.144  0.500 15.805 0 140 PRO   A O     1 ? 
ATOM   479  O O     B PRO   A 1 28  ? -5.468  17.422  11.433  0.500 16.538 0 140 PRO   A O     1 ? 
ATOM   480  C CB    A PRO   A 1 28  ? -4.049  17.525  14.218  0.500 14.122 0 140 PRO   A CB    1 ? 
ATOM   481  C CB    B PRO   A 1 28  ? -4.040  17.548  14.216  0.500 14.472 0 140 PRO   A CB    1 ? 
ATOM   482  C CG    A PRO   A 1 28  ? -2.774  16.744  14.043  0.500 14.113 0 140 PRO   A CG    1 ? 
ATOM   483  C CG    B PRO   A 1 28  ? -2.887  17.319  13.260  0.500 14.475 0 140 PRO   A CG    1 ? 
ATOM   484  C CD    A PRO   A 1 28  ? -3.079  15.911  12.814  0.500 13.695 0 140 PRO   A CD    1 ? 
ATOM   485  C CD    B PRO   A 1 28  ? -2.985  15.841  12.877  0.500 13.991 0 140 PRO   A CD    1 ? 
ATOM   486  H HA    A PRO   A 1 28  ? -5.380  16.022  14.794  0.500 13.976 0 140 PRO   A HA    1 c 
ATOM   487  H HA    B PRO   A 1 28  ? -5.736  16.311  14.400  0.500 14.367 0 140 PRO   A HA    1 c 
ATOM   488  H HB2   A PRO   A 1 28  ? -4.097  18.268  13.571  0.500 14.102 0 140 PRO   A HB2   1 c 
ATOM   489  H HB2   B PRO   A 1 28  ? -4.319  18.494  14.211  0.500 14.460 0 140 PRO   A HB2   1 c 
ATOM   490  H HB3   A PRO   A 1 28  ? -4.118  17.889  15.132  0.500 14.103 0 140 PRO   A HB3   1 c 
ATOM   491  H HB3   B PRO   A 1 28  ? -3.792  17.288  15.134  0.500 14.471 0 140 PRO   A HB3   1 c 
ATOM   492  H HG2   A PRO   A 1 28  ? -2.010  17.338  13.893  0.500 14.118 0 140 PRO   A HG2   1 c 
ATOM   493  H HG2   B PRO   A 1 28  ? -2.972  17.890  12.468  0.500 14.457 0 140 PRO   A HG2   1 c 
ATOM   494  H HG3   A PRO   A 1 28  ? -2.596  16.177  14.823  0.500 14.123 0 140 PRO   A HG3   1 c 
ATOM   495  H HG3   B PRO   A 1 28  ? -2.029  17.510  13.696  0.500 14.464 0 140 PRO   A HG3   1 c 
ATOM   496  H HD2   A PRO   A 1 28  ? -2.981  16.441  11.992  0.500 13.674 0 140 PRO   A HD2   1 c 
ATOM   497  H HD2   B PRO   A 1 28  ? -2.681  15.699  11.952  0.500 13.974 0 140 PRO   A HD2   1 c 
ATOM   498  H HD3   A PRO   A 1 28  ? -2.499  15.121  12.769  0.500 13.689 0 140 PRO   A HD3   1 c 
ATOM   499  H HD3   B PRO   A 1 28  ? -2.441  15.287  13.480  0.500 14.016 0 140 PRO   A HD3   1 c 
ATOM   500  N N     A ASN   A 1 29  ? -6.426  17.459  12.101  0.500 15.495 0 141 ASN   A N     1 ? 
ATOM   501  N N     B ASN   A 1 29  ? -7.239  17.590  12.807  0.500 16.237 0 141 ASN   A N     1 ? 
ATOM   502  C CA    A ASN   A 1 29  ? -7.589  18.141  11.553  0.500 15.837 0 141 ASN   A CA    1 ? 
ATOM   503  C CA    B ASN   A 1 29  ? -8.080  18.224  11.797  0.500 16.405 0 141 ASN   A CA    1 ? 
ATOM   504  C C     A ASN   A 1 29  ? -8.255  17.239  10.520  0.500 14.837 0 141 ASN   A C     1 ? 
ATOM   505  C C     B ASN   A 1 29  ? -8.379  17.278  10.626  0.500 15.181 0 141 ASN   A C     1 ? 
ATOM   506  O O     A ASN   A 1 29  ? -8.686  17.709  9.467   0.500 14.966 0 141 ASN   A O     1 ? 
ATOM   507  O O     B ASN   A 1 29  ? -8.607  17.745  9.510   0.500 15.382 0 141 ASN   A O     1 ? 
ATOM   508  C CB    A ASN   A 1 29  ? -7.220  19.540  11.073  0.500 17.128 0 141 ASN   A CB    1 ? 
ATOM   509  C CB    B ASN   A 1 29  ? -7.436  19.508  11.277  0.500 17.796 0 141 ASN   A CB    1 ? 
ATOM   510  C CG    A ASN   A 1 29  ? -6.873  20.440  12.236  0.500 18.466 0 141 ASN   A CG    1 ? 
ATOM   511  C CG    B ASN   A 1 29  ? -7.440  20.618  12.302  0.500 19.343 0 141 ASN   A CG    1 ? 
ATOM   512  O OD1   A ASN   A 1 29  ? -5.695  20.730  12.468  0.500 20.145 0 141 ASN   A OD1   1 ? 
ATOM   513  O OD1   B ASN   A 1 29  ? -8.212  20.572  13.266  0.500 21.029 0 141 ASN   A OD1   1 ? 
ATOM   514  N ND2   A ASN   A 1 29  ? -7.872  20.861  12.999  0.500 19.658 0 141 ASN   A ND2   1 ? 
ATOM   515  N ND2   B ASN   A 1 29  ? -6.599  21.623  12.108  0.500 20.426 0 141 ASN   A ND2   1 ? 
ATOM   516  H H     A ASN   A 1 29  ? -5.715  17.252  11.566  0.500 15.558 0 141 ASN   A H     1 c 
ATOM   517  H H     B ASN   A 1 29  ? -7.587  17.418  13.635  0.500 16.229 0 141 ASN   A H     1 c 
ATOM   518  H HA    A ASN   A 1 29  ? -8.233  18.254  12.288  0.500 15.851 0 141 ASN   A HA    1 c 
ATOM   519  H HA    B ASN   A 1 29  ? -8.933  18.471  12.221  0.500 16.410 0 141 ASN   A HA    1 c 
ATOM   520  H HB2   A ASN   A 1 29  ? -6.454  19.484  10.467  0.500 17.096 0 141 ASN   A HB2   1 c 
ATOM   521  H HB2   B ASN   A 1 29  ? -6.513  19.320  11.016  0.500 17.769 0 141 ASN   A HB2   1 c 
ATOM   522  H HB3   A ASN   A 1 29  ? -7.973  19.923  10.580  0.500 17.084 0 141 ASN   A HB3   1 c 
ATOM   523  H HB3   B ASN   A 1 29  ? -7.919  19.809  10.481  0.500 17.765 0 141 ASN   A HB3   1 c 
ATOM   524  H HD21  A ASN   A 1 29  ? -8.708  20.641  12.794  0.500 19.480 0 141 ASN   A HD21  1 c 
ATOM   525  H HD21  B ASN   A 1 29  ? -6.034  21.602  11.424  0.500 20.281 0 141 ASN   A HD21  1 c 
ATOM   526  H HD22  A ASN   A 1 29  ? -7.705  21.360  13.712  0.500 19.492 0 141 ASN   A HD22  1 c 
ATOM   527  H HD22  B ASN   A 1 29  ? -6.601  22.316  12.662  0.500 20.317 0 141 ASN   A HD22  1 c 
ATOM   528  N N     . ALA   A 1 30  ? -8.421  15.960  10.879  1.000 13.980 0 142 ALA   A N     1 ? 
ATOM   529  C CA    . ALA   A 1 30  ? -8.857  14.961  9.910   1.000 12.587 0 142 ALA   A CA    1 ? 
ATOM   530  C C     . ALA   A 1 30  ? -10.259 15.278  9.393   1.000 11.470 0 142 ALA   A C     1 ? 
ATOM   531  O O     . ALA   A 1 30  ? -11.119 15.725  10.155  1.000 11.859 0 142 ALA   A O     1 ? 
ATOM   532  C CB    . ALA   A 1 30  ? -8.825  13.580  10.527  1.000 12.341 0 142 ALA   A CB    1 ? 
ATOM   533  H H     . ALA   A 1 30  ? -8.211  15.684  11.724  1.000 14.004 0 142 ALA   A H     1 c 
ATOM   534  H HA    . ALA   A 1 30  ? -8.225  14.985  9.140   1.000 12.526 0 142 ALA   A HA    1 c 
ATOM   535  H HB1   . ALA   A 1 30  ? -7.923  13.373  10.822  1.000 12.366 0 142 ALA   A HB1   1 c 
ATOM   536  H HB2   . ALA   A 1 30  ? -9.427  13.548  11.289  1.000 12.384 0 142 ALA   A HB2   1 c 
ATOM   537  H HB3   . ALA   A 1 30  ? -9.106  12.921  9.869   1.000 12.366 0 142 ALA   A HB3   1 c 
ATOM   538  N N     A ASN   A 1 31  ? -10.475 15.018  8.100   0.500 11.147 0 143 ASN   A N     1 ? 
ATOM   539  N N     B ASN   A 1 31  ? -10.463 15.037  8.089   0.500 11.428 0 143 ASN   A N     1 ? 
ATOM   540  C CA    A ASN   A 1 31  ? -11.776 15.206  7.474   0.500 10.832 0 143 ASN   A CA    1 ? 
ATOM   541  C CA    B ASN   A 1 31  ? -11.748 15.222  7.421   0.500 11.390 0 143 ASN   A CA    1 ? 
ATOM   542  C C     A ASN   A 1 31  ? -12.400 13.865  7.091   0.500 10.421 0 143 ASN   A C     1 ? 
ATOM   543  C C     B ASN   A 1 31  ? -12.390 13.876  7.085   0.500 10.708 0 143 ASN   A C     1 ? 
ATOM   544  O O     A ASN   A 1 31  ? -13.615 13.700  7.196   0.500 10.121 0 143 ASN   A O     1 ? 
ATOM   545  O O     B ASN   A 1 31  ? -13.604 13.721  7.213   0.500 10.441 0 143 ASN   A O     1 ? 
ATOM   546  C CB    A ASN   A 1 31  ? -11.681 16.113  6.254   0.500 11.194 0 143 ASN   A CB    1 ? 
ATOM   547  C CB    B ASN   A 1 31  ? -11.608 16.046  6.144   0.500 12.091 0 143 ASN   A CB    1 ? 
ATOM   548  C CG    A ASN   A 1 31  ? -13.024 16.263  5.587   0.500 11.633 0 143 ASN   A CG    1 ? 
ATOM   549  C CG    B ASN   A 1 31  ? -11.184 17.468  6.421   0.500 13.273 0 143 ASN   A CG    1 ? 
ATOM   550  O OD1   A ASN   A 1 31  ? -13.861 17.055  6.027   0.500 12.450 0 143 ASN   A OD1   1 ? 
ATOM   551  O OD1   B ASN   A 1 31  ? -11.787 18.143  7.261   0.500 14.630 0 143 ASN   A OD1   1 ? 
ATOM   552  N ND2   A ASN   A 1 31  ? -13.251 15.492  4.537   0.500 11.801 0 143 ASN   A ND2   1 ? 
ATOM   553  N ND2   B ASN   A 1 31  ? -10.151 17.939  5.740   0.500 13.991 0 143 ASN   A ND2   1 ? 
ATOM   554  H H     A ASN   A 1 31  ? -9.779  14.724  7.586   0.500 11.143 0 143 ASN   A H     1 c 
ATOM   555  H H     B ASN   A 1 31  ? -9.755  14.752  7.588   0.500 11.423 0 143 ASN   A H     1 c 
ATOM   556  H HA    A ASN   A 1 31  ? -12.370 15.648  8.121   0.500 10.859 0 143 ASN   A HA    1 c 
ATOM   557  H HA    B ASN   A 1 31  ? -12.348 15.712  8.027   0.500 11.378 0 143 ASN   A HA    1 c 
ATOM   558  H HB2   A ASN   A 1 31  ? -11.355 16.994  6.529   0.500 11.204 0 143 ASN   A HB2   1 c 
ATOM   559  H HB2   B ASN   A 1 31  ? -10.948 15.624  5.559   0.500 12.158 0 143 ASN   A HB2   1 c 
ATOM   560  H HB3   A ASN   A 1 31  ? -11.042 15.735  5.618   0.500 11.197 0 143 ASN   A HB3   1 c 
ATOM   561  H HB3   B ASN   A 1 31  ? -12.465 16.055  5.673   0.500 12.136 0 143 ASN   A HB3   1 c 
ATOM   562  H HD21  A ASN   A 1 31  ? -12.631 14.919  4.267   0.500 11.759 0 143 ASN   A HD21  1 c 
ATOM   563  H HD21  B ASN   A 1 31  ? -9.749  17.427  5.137   0.500 13.875 0 143 ASN   A HD21  1 c 
ATOM   564  H HD22  A ASN   A 1 31  ? -14.024 15.549  4.105   0.500 11.775 0 143 ASN   A HD22  1 c 
ATOM   565  H HD22  B ASN   A 1 31  ? -9.864  18.765  5.887   0.500 13.858 0 143 ASN   A HD22  1 c 
ATOM   566  N N     . ARG   A 1 32  ? -11.582 12.920  6.611   1.000 10.192 0 144 ARG   A N     1 ? 
ATOM   567  C CA    . ARG   A 1 32  ? -12.112 11.671  6.080   1.000 10.125 0 144 ARG   A CA    1 ? 
ATOM   568  C C     . ARG   A 1 32  ? -11.068 10.561  6.175   1.000 9.467  0 144 ARG   A C     1 ? 
ATOM   569  O O     . ARG   A 1 32  ? -9.868  10.822  6.120   1.000 9.720  0 144 ARG   A O     1 ? 
ATOM   570  C CB    . ARG   A 1 32  ? -12.537 11.883  4.621   1.000 10.643 0 144 ARG   A CB    1 ? 
ATOM   571  C CG    . ARG   A 1 32  ? -11.362 12.213  3.712   1.000 11.289 0 144 ARG   A CG    1 ? 
ATOM   572  C CD    . ARG   A 1 32  ? -11.771 12.512  2.286   1.000 12.035 0 144 ARG   A CD    1 ? 
ATOM   573  N NE    . ARG   A 1 32  ? -10.593 12.591  1.416   1.000 12.804 0 144 ARG   A NE    1 ? 
ATOM   574  C CZ    . ARG   A 1 32  ? -10.618 12.611  0.092   1.000 14.146 0 144 ARG   A CZ    1 ? 
ATOM   575  N NH1   . ARG   A 1 32  ? -11.772 12.605  -0.550  1.000 14.960 0 144 ARG   A NH1   1 ? 
ATOM   576  N NH2   . ARG   A 1 32  ? -9.482  12.629  -0.579  1.000 14.741 0 144 ARG   A NH2   1 ? 
ATOM   577  H H     . ARG   A 1 32  ? -10.679 13.052  6.611   1.000 10.305 0 144 ARG   A H     1 c 
ATOM   578  H HA    . ARG   A 1 32  ? -12.902 11.408  6.614   1.000 10.086 0 144 ARG   A HA    1 c 
ATOM   579  H HB2   . ARG   A 1 32  ? -12.976 11.070  4.293   1.000 10.648 0 144 ARG   A HB2   1 c 
ATOM   580  H HB3   . ARG   A 1 32  ? -13.188 12.615  4.579   1.000 10.654 0 144 ARG   A HB3   1 c 
ATOM   581  H HG2   . ARG   A 1 32  ? -10.884 12.990  4.073   1.000 11.268 0 144 ARG   A HG2   1 c 
ATOM   582  H HG3   . ARG   A 1 32  ? -10.737 11.456  3.705   1.000 11.254 0 144 ARG   A HG3   1 c 
ATOM   583  H HD2   . ARG   A 1 32  ? -12.370 11.808  1.963   1.000 12.031 0 144 ARG   A HD2   1 c 
ATOM   584  H HD3   . ARG   A 1 32  ? -12.256 13.362  2.256   1.000 12.020 0 144 ARG   A HD3   1 c 
ATOM   585  H HE    . ARG   A 1 32  ? -9.812  12.629  1.800   1.000 12.846 0 144 ARG   A HE    1 c 
ATOM   586  H HH11  . ARG   A 1 32  ? -11.790 12.406  -1.413  1.000 14.761 0 144 ARG   A HH11  1 c 
ATOM   587  H HH12  . ARG   A 1 32  ? -12.523 12.800  -0.125  1.000 14.742 0 144 ARG   A HH12  1 c 
ATOM   588  H HH21  . ARG   A 1 32  ? -9.493  12.652  -1.463  1.000 14.597 0 144 ARG   A HH21  1 c 
ATOM   589  H HH22  . ARG   A 1 32  ? -8.711  12.617  -0.146  1.000 14.606 0 144 ARG   A HH22  1 c 
ATOM   590  N N     . ILE   A 1 33  ? -11.565 9.323   6.285   1.000 8.818  0 145 ILE   A N     1 ? 
ATOM   591  C CA    . ILE   A 1 33  ? -10.766 8.106   6.203   1.000 8.801  0 145 ILE   A CA    1 ? 
ATOM   592  C C     . ILE   A 1 33  ? -11.552 7.121   5.349   1.000 8.377  0 145 ILE   A C     1 ? 
ATOM   593  O O     . ILE   A 1 33  ? -12.774 7.132   5.402   1.000 8.156  0 145 ILE   A O     1 ? 
ATOM   594  C CB    . ILE   A 1 33  ? -10.516 7.520   7.607   1.000 9.137  0 145 ILE   A CB    1 ? 
ATOM   595  C CG1   . ILE   A 1 33  ? -9.786  8.509   8.515   1.000 9.514  0 145 ILE   A CG1   1 ? 
ATOM   596  C CG2   . ILE   A 1 33  ? -9.786  6.176   7.525   1.000 9.638  0 145 ILE   A CG2   1 ? 
ATOM   597  C CD1   . ILE   A 1 33  ? -9.733  8.091   9.970   1.000 9.666  0 145 ILE   A CD1   1 ? 
ATOM   598  H H     . ILE   A 1 33  ? -12.464 9.235   6.423   1.000 8.924  0 145 ILE   A H     1 c 
ATOM   599  H HA    . ILE   A 1 33  ? -9.911  8.305   5.773   1.000 8.788  0 145 ILE   A HA    1 c 
ATOM   600  H HB    . ILE   A 1 33  ? -11.391 7.352   8.010   1.000 9.193  0 145 ILE   A HB    1 c 
ATOM   601  H HG12  . ILE   A 1 33  ? -8.871  8.620   8.185   1.000 9.477  0 145 ILE   A HG12  1 c 
ATOM   602  H HG13  . ILE   A 1 33  ? -10.231 9.378   8.457   1.000 9.482  0 145 ILE   A HG13  1 c 
ATOM   603  H HG21  . ILE   A 1 33  ? -9.623  5.837   8.421   1.000 9.557  0 145 ILE   A HG21  1 c 
ATOM   604  H HG22  . ILE   A 1 33  ? -8.936  6.294   7.067   1.000 9.562  0 145 ILE   A HG22  1 c 
ATOM   605  H HG23  . ILE   A 1 33  ? -10.329 5.536   7.036   1.000 9.545  0 145 ILE   A HG23  1 c 
ATOM   606  H HD11  . ILE   A 1 33  ? -10.641 7.975   10.309  1.000 9.646  0 145 ILE   A HD11  1 c 
ATOM   607  H HD12  . ILE   A 1 33  ? -9.281  8.784   10.489  1.000 9.636  0 145 ILE   A HD12  1 c 
ATOM   608  H HD13  . ILE   A 1 33  ? -9.244  7.251   10.061  1.000 9.643  0 145 ILE   A HD13  1 c 
ATOM   609  N N     . ALA   A 1 34  ? -10.867 6.260   4.590   1.000 8.435  0 146 ALA   A N     1 ? 
ATOM   610  C CA    . ALA   A 1 34  ? -11.570 5.203   3.878   1.000 8.283  0 146 ALA   A CA    1 ? 
ATOM   611  C C     . ALA   A 1 34  ? -10.764 3.911   3.853   1.000 8.105  0 146 ALA   A C     1 ? 
ATOM   612  O O     . ALA   A 1 34  ? -9.562  3.926   3.582   1.000 9.041  0 146 ALA   A O     1 ? 
ATOM   613  C CB    . ALA   A 1 34  ? -11.916 5.625   2.469   1.000 8.680  0 146 ALA   A CB    1 ? 
ATOM   614  H H     . ALA   A 1 34  ? -9.959  6.328   4.514   1.000 8.398  0 146 ALA   A H     1 c 
ATOM   615  H HA    . ALA   A 1 34  ? -12.418 5.024   4.365   1.000 8.303  0 146 ALA   A HA    1 c 
ATOM   616  H HB1   . ALA   A 1 34  ? -12.500 6.402   2.494   1.000 8.630  0 146 ALA   A HB1   1 c 
ATOM   617  H HB2   . ALA   A 1 34  ? -11.105 5.850   1.985   1.000 8.641  0 146 ALA   A HB2   1 c 
ATOM   618  H HB3   . ALA   A 1 34  ? -12.371 4.898   2.012   1.000 8.615  0 146 ALA   A HB3   1 c 
ATOM   619  N N     A LEU   A 1 35  ? -11.460 2.804   4.136   0.500 7.913  0 147 LEU   A N     1 ? 
ATOM   620  N N     B LEU   A 1 35  ? -11.470 2.800   4.090   0.500 7.860  0 147 LEU   A N     1 ? 
ATOM   621  C CA    A LEU   A 1 35  ? -11.015 1.460   3.799   0.500 7.956  0 147 LEU   A CA    1 ? 
ATOM   622  C CA    B LEU   A 1 35  ? -10.993 1.453   3.808   0.500 7.917  0 147 LEU   A CA    1 ? 
ATOM   623  C C     A LEU   A 1 35  ? -11.827 1.005   2.594   0.500 7.862  0 147 LEU   A C     1 ? 
ATOM   624  C C     B LEU   A 1 35  ? -11.830 0.884   2.666   0.500 7.852  0 147 LEU   A C     1 ? 
ATOM   625  O O     A LEU   A 1 35  ? -13.033 1.237   2.553   0.500 8.015  0 147 LEU   A O     1 ? 
ATOM   626  O O     B LEU   A 1 35  ? -13.055 0.890   2.754   0.500 7.862  0 147 LEU   A O     1 ? 
ATOM   627  C CB    A LEU   A 1 35  ? -11.237 0.496   4.962   0.500 8.020  0 147 LEU   A CB    1 ? 
ATOM   628  C CB    B LEU   A 1 35  ? -11.120 0.570   5.050   0.500 7.986  0 147 LEU   A CB    1 ? 
ATOM   629  C CG    A LEU   A 1 35  ? -10.587 0.866   6.296   0.500 8.192  0 147 LEU   A CG    1 ? 
ATOM   630  C CG    B LEU   A 1 35  ? -9.939  0.579   6.024   0.500 8.186  0 147 LEU   A CG    1 ? 
ATOM   631  C CD1   A LEU   A 1 35  ? -10.895 -0.202  7.329   0.500 8.371  0 147 LEU   A CD1   1 ? 
ATOM   632  C CD1   B LEU   A 1 35  ? -9.711  1.958   6.618   0.500 8.339  0 147 LEU   A CD1   1 ? 
ATOM   633  C CD2   A LEU   A 1 35  ? -9.091  1.052   6.139   0.500 8.210  0 147 LEU   A CD2   1 ? 
ATOM   634  C CD2   B LEU   A 1 35  ? -10.161 -0.453  7.118   0.500 8.334  0 147 LEU   A CD2   1 ? 
ATOM   635  H H     A LEU   A 1 35  ? -12.257 2.896   4.572   0.500 7.951  0 147 LEU   A H     1 c 
ATOM   636  H H     B LEU   A 1 35  ? -12.303 2.890   4.455   0.500 7.909  0 147 LEU   A H     1 c 
ATOM   637  H HA    A LEU   A 1 35  ? -10.055 1.486   3.565   0.500 7.954  0 147 LEU   A HA    1 c 
ATOM   638  H HA    B LEU   A 1 35  ? -10.045 1.500   3.531   0.500 7.919  0 147 LEU   A HA    1 c 
ATOM   639  H HB2   A LEU   A 1 35  ? -12.208 0.409   5.105   0.500 8.029  0 147 LEU   A HB2   1 c 
ATOM   640  H HB2   B LEU   A 1 35  ? -11.926 0.851   5.541   0.500 7.998  0 147 LEU   A HB2   1 c 
ATOM   641  H HB3   A LEU   A 1 35  ? -10.905 -0.391  4.692   0.500 8.040  0 147 LEU   A HB3   1 c 
ATOM   642  H HB3   B LEU   A 1 35  ? -11.268 -0.357  4.752   0.500 8.001  0 147 LEU   A HB3   1 c 
ATOM   643  H HG    A LEU   A 1 35  ? -10.977 1.724   6.605   0.500 8.195  0 147 LEU   A HG    1 c 
ATOM   644  H HG    B LEU   A 1 35  ? -9.123  0.323   5.522   0.500 8.195  0 147 LEU   A HG    1 c 
ATOM   645  H HD11  A LEU   A 1 35  ? -11.857 -0.266  7.454   0.500 8.339  0 147 LEU   A HD11  1 c 
ATOM   646  H HD11  B LEU   A 1 35  ? -9.502  2.587   5.909   0.500 8.321  0 147 LEU   A HD11  1 c 
ATOM   647  H HD12  A LEU   A 1 35  ? -10.475 0.032   8.173   0.500 8.364  0 147 LEU   A HD12  1 c 
ATOM   648  H HD12  B LEU   A 1 35  ? -8.970  1.922   7.246   0.500 8.321  0 147 LEU   A HD12  1 c 
ATOM   649  H HD13  A LEU   A 1 35  ? -10.551 -1.059  7.024   0.500 8.345  0 147 LEU   A HD13  1 c 
ATOM   650  H HD13  B LEU   A 1 35  ? -10.514 2.249   7.082   0.500 8.314  0 147 LEU   A HD13  1 c 
ATOM   651  H HD21  A LEU   A 1 35  ? -8.917  1.758   5.494   0.500 8.205  0 147 LEU   A HD21  1 c 
ATOM   652  H HD21  B LEU   A 1 35  ? -10.249 -1.335  6.720   0.500 8.312  0 147 LEU   A HD21  1 c 
ATOM   653  H HD22  A LEU   A 1 35  ? -8.693  0.223   5.825   0.500 8.217  0 147 LEU   A HD22  1 c 
ATOM   654  H HD22  B LEU   A 1 35  ? -10.973 -0.237  7.608   0.500 8.309  0 147 LEU   A HD22  1 c 
ATOM   655  H HD23  A LEU   A 1 35  ? -8.701  1.293   6.996   0.500 8.208  0 147 LEU   A HD23  1 c 
ATOM   656  H HD23  B LEU   A 1 35  ? -9.405  -0.447  7.728   0.500 8.314  0 147 LEU   A HD23  1 c 
ATOM   657  N N     . ASP   A 1 36  ? -11.156 0.364   1.632   1.000 7.896  0 148 ASP   A N     1 ? 
ATOM   658  C CA    . ASP   A 1 36  ? -11.810 -0.167  0.442   1.000 8.178  0 148 ASP   A CA    1 ? 
ATOM   659  C C     . ASP   A 1 36  ? -11.372 -1.610  0.230   1.000 7.627  0 148 ASP   A C     1 ? 
ATOM   660  O O     . ASP   A 1 36  ? -10.273 -1.847  -0.263  1.000 7.733  0 148 ASP   A O     1 ? 
ATOM   661  C CB    . ASP   A 1 36  ? -11.503 0.691   -0.775  1.000 8.660  0 148 ASP   A CB    1 ? 
ATOM   662  C CG    . ASP   A 1 36  ? -12.170 2.054   -0.752  1.000 9.837  0 148 ASP   A CG    1 ? 
ATOM   663  O OD1   . ASP   A 1 36  ? -13.376 2.110   -1.046  1.000 10.484 0 148 ASP   A OD1   1 ? 
ATOM   664  O OD2   . ASP   A 1 36  ? -11.499 3.028   -0.347  1.000 12.158 0 148 ASP   A OD2   1 ? 
ATOM   665  H H     . ASP   A 1 36  ? -10.247 0.297   1.691   1.000 7.919  0 148 ASP   A H     1 c 
ATOM   666  H HA    . ASP   A 1 36  ? -12.783 -0.151  0.578   1.000 8.102  0 148 ASP   A HA    1 c 
ATOM   667  H HB2   . ASP   A 1 36  ? -10.533 0.821   -0.836  1.000 8.738  0 148 ASP   A HB2   1 c 
ATOM   668  H HB3   . ASP   A 1 36  ? -11.795 0.217   -1.583  1.000 8.691  0 148 ASP   A HB3   1 c 
ATOM   669  N N     . PHE   A 1 37  ? -12.240 -2.559  0.593   1.000 7.714  0 149 PHE   A N     1 ? 
ATOM   670  C CA    . PHE   A 1 37  ? -12.031 -3.965  0.275   1.000 7.800  0 149 PHE   A CA    1 ? 
ATOM   671  C C     . PHE   A 1 37  ? -12.489 -4.180  -1.162  1.000 7.752  0 149 PHE   A C     1 ? 
ATOM   672  O O     . PHE   A 1 37  ? -13.685 -4.073  -1.430  1.000 7.953  0 149 PHE   A O     1 ? 
ATOM   673  C CB    . PHE   A 1 37  ? -12.805 -4.875  1.232   1.000 8.234  0 149 PHE   A CB    1 ? 
ATOM   674  C CG    . PHE   A 1 37  ? -12.227 -4.897  2.635   1.000 8.894  0 149 PHE   A CG    1 ? 
ATOM   675  C CD1   . PHE   A 1 37  ? -12.597 -3.942  3.571   1.000 9.219  0 149 PHE   A CD1   1 ? 
ATOM   676  C CD2   . PHE   A 1 37  ? -11.287 -5.853  2.996   1.000 9.346  0 149 PHE   A CD2   1 ? 
ATOM   677  C CE1   . PHE   A 1 37  ? -12.046 -3.958  4.842   1.000 9.657  0 149 PHE   A CE1   1 ? 
ATOM   678  C CE2   . PHE   A 1 37  ? -10.738 -5.863  4.260   1.000 9.914  0 149 PHE   A CE2   1 ? 
ATOM   679  C CZ    . PHE   A 1 37  ? -11.127 -4.924  5.185   1.000 9.865  0 149 PHE   A CZ    1 ? 
ATOM   680  H H     . PHE   A 1 37  ? -12.990 -2.321  1.059   1.000 7.696  0 149 PHE   A H     1 c 
ATOM   681  H HA    . PHE   A 1 37  ? -11.061 -4.172  0.346   1.000 7.816  0 149 PHE   A HA    1 c 
ATOM   682  H HB2   . PHE   A 1 37  ? -13.737 -4.568  1.273   1.000 8.232  0 149 PHE   A HB2   1 c 
ATOM   683  H HB3   . PHE   A 1 37  ? -12.801 -5.789  0.869   1.000 8.226  0 149 PHE   A HB3   1 c 
ATOM   684  H HD1   . PHE   A 1 37  ? -13.229 -3.279  3.340   1.000 9.229  0 149 PHE   A HD1   1 c 
ATOM   685  H HD2   . PHE   A 1 37  ? -11.021 -6.502  2.365   1.000 9.323  0 149 PHE   A HD2   1 c 
ATOM   686  H HE1   . PHE   A 1 37  ? -12.310 -3.311  5.477   1.000 9.590  0 149 PHE   A HE1   1 c 
ATOM   687  H HE2   . PHE   A 1 37  ? -10.109 -6.527  4.496   1.000 9.761  0 149 PHE   A HE2   1 c 
ATOM   688  H HZ    . PHE   A 1 37  ? -10.754 -4.932  6.052   1.000 9.781  0 149 PHE   A HZ    1 c 
ATOM   689  N N     . GLN   A 1 38  ? -11.540 -4.452  -2.072  1.000 7.900  0 150 GLN   A N     1 ? 
ATOM   690  C CA    . GLN   A 1 38  ? -11.808 -4.431  -3.506  1.000 8.362  0 150 GLN   A CA    1 ? 
ATOM   691  C C     . GLN   A 1 38  ? -11.778 -5.832  -4.103  1.000 8.027  0 150 GLN   A C     1 ? 
ATOM   692  O O     . GLN   A 1 38  ? -10.928 -6.656  -3.758  1.000 8.364  0 150 GLN   A O     1 ? 
ATOM   693  C CB    . GLN   A 1 38  ? -10.816 -3.525  -4.233  1.000 9.746  0 150 GLN   A CB    1 ? 
ATOM   694  C CG    . GLN   A 1 38  ? -10.935 -2.075  -3.775  1.000 11.656 0 150 GLN   A CG    1 ? 
ATOM   695  C CD    . GLN   A 1 38  ? -10.764 -1.000  -4.828  1.000 13.494 0 150 GLN   A CD    1 ? 
ATOM   696  O OE1   . GLN   A 1 38  ? -10.479 0.155   -4.490  1.000 16.633 0 150 GLN   A OE1   1 ? 
ATOM   697  N NE2   . GLN   A 1 38  ? -10.958 -1.322  -6.098  1.000 14.888 0 150 GLN   A NE2   1 ? 
ATOM   698  H H     . GLN   A 1 38  ? -10.697 -4.660  -1.787  1.000 7.936  0 150 GLN   A H     1 c 
ATOM   699  H HA    . GLN   A 1 38  ? -12.712 -4.056  -3.641  1.000 8.318  0 150 GLN   A HA    1 c 
ATOM   700  H HB2   . GLN   A 1 38  ? -9.906  -3.846  -4.062  1.000 9.673  0 150 GLN   A HB2   1 c 
ATOM   701  H HB3   . GLN   A 1 38  ? -10.979 -3.584  -5.195  1.000 9.724  0 150 GLN   A HB3   1 c 
ATOM   702  H HG2   . GLN   A 1 38  ? -11.817 -1.947  -3.364  1.000 11.472 0 150 GLN   A HG2   1 c 
ATOM   703  H HG3   . GLN   A 1 38  ? -10.266 -1.913  -3.076  1.000 11.500 0 150 GLN   A HG3   1 c 
ATOM   704  H HE21  . GLN   A 1 38  ? -11.459 -2.021  -6.318  1.000 14.488 0 150 GLN   A HE21  1 c 
ATOM   705  H HE22  . GLN   A 1 38  ? -10.590 -0.822  -6.735  1.000 14.630 0 150 GLN   A HE22  1 c 
ATOM   706  N N     . ARG   A 1 39  ? -12.720 -6.035  -5.035  1.000 8.053  0 151 ARG   A N     1 ? 
ATOM   707  C CA    . ARG   A 1 39  ? -12.728 -7.141  -5.978  1.000 8.104  0 151 ARG   A CA    1 ? 
ATOM   708  C C     . ARG   A 1 39  ? -12.491 -6.551  -7.367  1.000 7.950  0 151 ARG   A C     1 ? 
ATOM   709  O O     . ARG   A 1 39  ? -13.423 -6.051  -7.996  1.000 7.825  0 151 ARG   A O     1 ? 
ATOM   710  C CB    . ARG   A 1 39  ? -14.069 -7.878  -5.914  1.000 8.310  0 151 ARG   A CB    1 ? 
ATOM   711  C CG    . ARG   A 1 39  ? -14.219 -8.959  -6.973  1.000 8.671  0 151 ARG   A CG    1 ? 
ATOM   712  C CD    . ARG   A 1 39  ? -15.498 -9.758  -6.824  1.000 9.261  0 151 ARG   A CD    1 ? 
ATOM   713  N NE    . ARG   A 1 39  ? -15.617 -10.655 -7.976  1.000 9.763  0 151 ARG   A NE    1 ? 
ATOM   714  C CZ    . ARG   A 1 39  ? -16.452 -10.527 -9.005  1.000 9.984  0 151 ARG   A CZ    1 ? 
ATOM   715  N NH1   . ARG   A 1 39  ? -17.359 -9.565  -9.053  1.000 10.607 0 151 ARG   A NH1   1 ? 
ATOM   716  N NH2   . ARG   A 1 39  ? -16.364 -11.371 -10.018 1.000 10.321 0 151 ARG   A NH2   1 ? 
ATOM   717  H H     . ARG   A 1 39  ? -13.406 -5.433  -5.082  1.000 8.054  0 151 ARG   A H     1 c 
ATOM   718  H HA    . ARG   A 1 39  ? -11.991 -7.763  -5.754  1.000 8.097  0 151 ARG   A HA    1 c 
ATOM   719  H HB2   . ARG   A 1 39  ? -14.163 -8.288  -5.028  1.000 8.308  0 151 ARG   A HB2   1 c 
ATOM   720  H HB3   . ARG   A 1 39  ? -14.794 -7.226  -6.021  1.000 8.311  0 151 ARG   A HB3   1 c 
ATOM   721  H HG2   . ARG   A 1 39  ? -14.209 -8.545  -7.863  1.000 8.668  0 151 ARG   A HG2   1 c 
ATOM   722  H HG3   . ARG   A 1 39  ? -13.454 -9.571  -6.918  1.000 8.664  0 151 ARG   A HG3   1 c 
ATOM   723  H HD2   . ARG   A 1 39  ? -15.467 -10.284 -5.998  1.000 9.235  0 151 ARG   A HD2   1 c 
ATOM   724  H HD3   . ARG   A 1 39  ? -16.268 -9.160  -6.780  1.000 9.263  0 151 ARG   A HD3   1 c 
ATOM   725  H HE    . ARG   A 1 39  ? -15.086 -11.346 -7.991  1.000 9.713  0 151 ARG   A HE    1 c 
ATOM   726  H HH11  . ARG   A 1 39  ? -17.908 -9.517  -9.744  1.000 10.507 0 151 ARG   A HH11  1 c 
ATOM   727  H HH12  . ARG   A 1 39  ? -17.422 -8.971  -8.404  1.000 10.474 0 151 ARG   A HH12  1 c 
ATOM   728  H HH21  . ARG   A 1 39  ? -16.915 -11.295 -10.706 1.000 10.247 0 151 ARG   A HH21  1 c 
ATOM   729  H HH22  . ARG   A 1 39  ? -15.756 -12.013 -10.008 1.000 10.237 0 151 ARG   A HH22  1 c 
ATOM   730  N N     . GLY   A 1 40  ? -11.232 -6.543  -7.801  1.000 8.112  0 152 GLY   A N     1 ? 
ATOM   731  C CA    . GLY   A 1 40  ? -10.848 -5.766  -8.968  1.000 8.273  0 152 GLY   A CA    1 ? 
ATOM   732  C C     . GLY   A 1 40  ? -11.195 -4.296  -8.747  1.000 8.356  0 152 GLY   A C     1 ? 
ATOM   733  O O     . GLY   A 1 40  ? -10.825 -3.729  -7.718  1.000 8.747  0 152 GLY   A O     1 ? 
ATOM   734  H H     . GLY   A 1 40  ? -10.597 -7.033  -7.364  1.000 8.093  0 152 GLY   A H     1 c 
ATOM   735  H HA2   . GLY   A 1 40  ? -9.878  -5.862  -9.120  1.000 8.252  0 152 GLY   A HA2   1 c 
ATOM   736  H HA3   . GLY   A 1 40  ? -11.319 -6.111  -9.759  1.000 8.241  0 152 GLY   A HA3   1 c 
ATOM   737  N N     . ASN   A 1 41  ? -11.950 -3.702  -9.681  1.000 8.309  0 153 ASN   A N     1 ? 
ATOM   738  C CA    . ASN   A 1 41  ? -12.383 -2.316  -9.559  1.000 8.576  0 153 ASN   A CA    1 ? 
ATOM   739  C C     . ASN   A 1 41  ? -13.596 -2.187  -8.637  1.000 8.439  0 153 ASN   A C     1 ? 
ATOM   740  O O     . ASN   A 1 41  ? -13.942 -1.076  -8.240  1.000 8.906  0 153 ASN   A O     1 ? 
ATOM   741  C CB    . ASN   A 1 41  ? -12.709 -1.715  -10.923 1.000 8.901  0 153 ASN   A CB    1 ? 
ATOM   742  C CG    . ASN   A 1 41  ? -13.108 -0.262  -10.822 1.000 9.264  0 153 ASN   A CG    1 ? 
ATOM   743  O OD1   . ASN   A 1 41  ? -12.305 0.568   -10.390 1.000 10.171 0 153 ASN   A OD1   1 ? 
ATOM   744  N ND2   . ASN   A 1 41  ? -14.327 0.070   -11.216 1.000 9.563  0 153 ASN   A ND2   1 ? 
ATOM   745  H H     . ASN   A 1 41  ? -12.202 -4.178  -10.420 1.000 8.361  0 153 ASN   A H     1 c 
ATOM   746  H HA    . ASN   A 1 41  ? -11.643 -1.793  -9.175  1.000 8.556  0 153 ASN   A HA    1 c 
ATOM   747  H HB2   . ASN   A 1 41  ? -11.928 -1.792  -11.504 1.000 8.885  0 153 ASN   A HB2   1 c 
ATOM   748  H HB3   . ASN   A 1 41  ? -13.438 -2.223  -11.330 1.000 8.893  0 153 ASN   A HB3   1 c 
ATOM   749  H HD21  . ASN   A 1 41  ? -14.882 -0.548  -11.527 1.000 9.480  0 153 ASN   A HD21  1 c 
ATOM   750  H HD22  . ASN   A 1 41  ? -14.590 0.917   -11.168 1.000 9.487  0 153 ASN   A HD22  1 c 
ATOM   751  N N     . ASP   A 1 42  ? -14.290 -3.290  -8.358  1.000 8.127  0 154 ASP   A N     1 ? 
ATOM   752  C CA    . ASP   A 1 42  ? -15.445 -3.216  -7.472  1.000 7.998  0 154 ASP   A CA    1 ? 
ATOM   753  C C     . ASP   A 1 42  ? -14.979 -3.047  -6.032  1.000 7.926  0 154 ASP   A C     1 ? 
ATOM   754  O O     . ASP   A 1 42  ? -13.918 -3.537  -5.654  1.000 8.220  0 154 ASP   A O     1 ? 
ATOM   755  C CB    . ASP   A 1 42  ? -16.381 -4.400  -7.644  1.000 8.123  0 154 ASP   A CB    1 ? 
ATOM   756  C CG    . ASP   A 1 42  ? -17.271 -4.345  -8.877  1.000 8.435  0 154 ASP   A CG    1 ? 
ATOM   757  O OD1   . ASP   A 1 42  ? -17.210 -3.331  -9.615  1.000 8.422  0 154 ASP   A OD1   1 ? 
ATOM   758  O OD2   . ASP   A 1 42  ? -18.020 -5.316  -9.079  1.000 8.861  0 154 ASP   A OD2   1 ? 
ATOM   759  H H     . ASP   A 1 42  ? -14.055 -4.095  -8.722  1.000 8.143  0 154 ASP   A H     1 c 
ATOM   760  H HA    . ASP   A 1 42  ? -15.963 -2.418  -7.716  1.000 8.028  0 154 ASP   A HA    1 c 
ATOM   761  H HB2   . ASP   A 1 42  ? -15.851 -5.222  -7.687  1.000 8.125  0 154 ASP   A HB2   1 c 
ATOM   762  H HB3   . ASP   A 1 42  ? -16.960 -4.460  -6.856  1.000 8.120  0 154 ASP   A HB3   1 c 
ATOM   763  N N     . VAL   A 1 43  ? -15.789 -2.330  -5.253  1.000 7.874  0 155 VAL   A N     1 ? 
ATOM   764  C CA    . VAL   A 1 43  ? -15.528 -2.192  -3.828  1.000 8.032  0 155 VAL   A CA    1 ? 
ATOM   765  C C     . VAL   A 1 43  ? -16.586 -3.002  -3.083  1.000 7.837  0 155 VAL   A C     1 ? 
ATOM   766  O O     . VAL   A 1 43  ? -17.741 -2.598  -3.002  1.000 8.103  0 155 VAL   A O     1 ? 
ATOM   767  C CB    . VAL   A 1 43  ? -15.494 -0.723  -3.367  1.000 8.326  0 155 VAL   A CB    1 ? 
ATOM   768  C CG1   . VAL   A 1 43  ? -15.150 -0.633  -1.887  1.000 8.392  0 155 VAL   A CG1   1 ? 
ATOM   769  C CG2   . VAL   A 1 43  ? -14.522 0.122   -4.178  1.000 8.664  0 155 VAL   A CG2   1 ? 
ATOM   770  H H     . VAL   A 1 43  ? -16.521 -1.918  -5.612  1.000 7.894  0 155 VAL   A H     1 c 
ATOM   771  H HA    . VAL   A 1 43  ? -14.653 -2.582  -3.639  1.000 8.015  0 155 VAL   A HA    1 c 
ATOM   772  H HB    . VAL   A 1 43  ? -16.399 -0.354  -3.496  1.000 8.312  0 155 VAL   A HB    1 c 
ATOM   773  H HG11  . VAL   A 1 43  ? -14.290 -1.056  -1.727  1.000 8.377  0 155 VAL   A HG11  1 c 
ATOM   774  H HG12  . VAL   A 1 43  ? -15.834 -1.083  -1.364  1.000 8.372  0 155 VAL   A HG12  1 c 
ATOM   775  H HG13  . VAL   A 1 43  ? -15.105 0.300   -1.622  1.000 8.363  0 155 VAL   A HG13  1 c 
ATOM   776  H HG21  . VAL   A 1 43  ? -14.532 1.036   -3.846  1.000 8.599  0 155 VAL   A HG21  1 c 
ATOM   777  H HG22  . VAL   A 1 43  ? -14.786 0.116   -5.113  1.000 8.629  0 155 VAL   A HG22  1 c 
ATOM   778  H HG23  . VAL   A 1 43  ? -13.625 -0.242  -4.092  1.000 8.592  0 155 VAL   A HG23  1 c 
ATOM   779  N N     . ALA   A 1 44  ? -16.183 -4.168  -2.568  1.000 7.624  0 156 ALA   A N     1 ? 
ATOM   780  C CA    . ALA   A 1 44  ? -17.069 -5.028  -1.800  1.000 7.760  0 156 ALA   A CA    1 ? 
ATOM   781  C C     . ALA   A 1 44  ? -17.523 -4.328  -0.522  1.000 7.575  0 156 ALA   A C     1 ? 
ATOM   782  O O     . ALA   A 1 44  ? -18.690 -4.415  -0.149  1.000 7.546  0 156 ALA   A O     1 ? 
ATOM   783  C CB    . ALA   A 1 44  ? -16.361 -6.325  -1.488  1.000 7.860  0 156 ALA   A CB    1 ? 
ATOM   784  H H     . ALA   A 1 44  ? -15.321 -4.439  -2.705  1.000 7.642  0 156 ALA   A H     1 c 
ATOM   785  H HA    . ALA   A 1 44  ? -17.875 -5.218  -2.352  1.000 7.715  0 156 ALA   A HA    1 c 
ATOM   786  H HB1   . ALA   A 1 44  ? -16.113 -6.770  -2.316  1.000 7.846  0 156 ALA   A HB1   1 c 
ATOM   787  H HB2   . ALA   A 1 44  ? -15.559 -6.143  -0.970  1.000 7.852  0 156 ALA   A HB2   1 c 
ATOM   788  H HB3   . ALA   A 1 44  ? -16.949 -6.904  -0.976  1.000 7.842  0 156 ALA   A HB3   1 c 
ATOM   789  N N     . PHE   A 1 45  ? -16.595 -3.630  0.139   1.000 7.386  0 157 PHE   A N     1 ? 
ATOM   790  C CA    . PHE   A 1 45  ? -16.884 -2.985  1.411   1.000 7.459  0 157 PHE   A CA    1 ? 
ATOM   791  C C     . PHE   A 1 45  ? -16.045 -1.717  1.510   1.000 7.406  0 157 PHE   A C     1 ? 
ATOM   792  O O     . PHE   A 1 45  ? -14.820 -1.779  1.590   1.000 7.464  0 157 PHE   A O     1 ? 
ATOM   793  C CB    . PHE   A 1 45  ? -16.627 -3.965  2.560   1.000 7.545  0 157 PHE   A CB    1 ? 
ATOM   794  C CG    . PHE   A 1 45  ? -16.840 -3.418  3.960   1.000 7.532  0 157 PHE   A CG    1 ? 
ATOM   795  C CD1   . PHE   A 1 45  ? -17.889 -2.557  4.256   1.000 7.630  0 157 PHE   A CD1   1 ? 
ATOM   796  C CD2   . PHE   A 1 45  ? -15.961 -3.766  4.976   1.000 7.713  0 157 PHE   A CD2   1 ? 
ATOM   797  C CE1   . PHE   A 1 45  ? -18.067 -2.083  5.547   1.000 7.783  0 157 PHE   A CE1   1 ? 
ATOM   798  C CE2   . PHE   A 1 45  ? -16.138 -3.284  6.263   1.000 7.871  0 157 PHE   A CE2   1 ? 
ATOM   799  C CZ    . PHE   A 1 45  ? -17.190 -2.444  6.547   1.000 7.839  0 157 PHE   A CZ    1 ? 
ATOM   800  H H     . PHE   A 1 45  ? -15.754 -3.557  -0.211  1.000 7.394  0 157 PHE   A H     1 c 
ATOM   801  H HA    . PHE   A 1 45  ? -17.844 -2.733  1.424   1.000 7.444  0 157 PHE   A HA    1 c 
ATOM   802  H HB2   . PHE   A 1 45  ? -17.216 -4.742  2.436   1.000 7.515  0 157 PHE   A HB2   1 c 
ATOM   803  H HB3   . PHE   A 1 45  ? -15.702 -4.287  2.488   1.000 7.516  0 157 PHE   A HB3   1 c 
ATOM   804  H HD1   . PHE   A 1 45  ? -18.499 -2.313  3.579   1.000 7.618  0 157 PHE   A HD1   1 c 
ATOM   805  H HD2   . PHE   A 1 45  ? -15.241 -4.347  4.789   1.000 7.697  0 157 PHE   A HD2   1 c 
ATOM   806  H HE1   . PHE   A 1 45  ? -18.787 -1.503  5.739   1.000 7.747  0 157 PHE   A HE1   1 c 
ATOM   807  H HE2   . PHE   A 1 45  ? -15.536 -3.533  6.946   1.000 7.824  0 157 PHE   A HE2   1 c 
ATOM   808  H HZ    . PHE   A 1 45  ? -17.308 -2.112  7.422   1.000 7.829  0 157 PHE   A HZ    1 c 
ATOM   809  N N     . HIS   A 1 46  ? -16.749 -0.583  1.480   1.000 7.397  0 158 HIS   A N     1 ? 
ATOM   810  C CA    . HIS   A 1 46  ? -16.196 0.744   1.690   1.000 7.370  0 158 HIS   A CA    1 ? 
ATOM   811  C C     . HIS   A 1 46  ? -16.606 1.169   3.093   1.000 7.286  0 158 HIS   A C     1 ? 
ATOM   812  O O     . HIS   A 1 46  ? -17.797 1.186   3.390   1.000 7.399  0 158 HIS   A O     1 ? 
ATOM   813  C CB    . HIS   A 1 46  ? -16.770 1.700   0.643   1.000 7.469  0 158 HIS   A CB    1 ? 
ATOM   814  C CG    . HIS   A 1 46  ? -16.388 3.138   0.735   1.000 7.744  0 158 HIS   A CG    1 ? 
ATOM   815  N ND1   . HIS   A 1 46  ? -15.174 3.632   0.306   1.000 7.811  0 158 HIS   A ND1   1 ? 
ATOM   816  C CD2   . HIS   A 1 46  ? -17.105 4.204   1.117   1.000 7.912  0 158 HIS   A CD2   1 ? 
ATOM   817  C CE1   . HIS   A 1 46  ? -15.170 4.952   0.441   1.000 7.947  0 158 HIS   A CE1   1 ? 
ATOM   818  N NE2   . HIS   A 1 46  ? -16.338 5.322   0.922   1.000 8.190  0 158 HIS   A NE2   1 ? 
ATOM   819  H H     . HIS   A 1 46  ? -17.645 -0.646  1.311   1.000 7.391  0 158 HIS   A H     1 c 
ATOM   820  H HA    . HIS   A 1 46  ? -15.214 0.712   1.630   1.000 7.372  0 158 HIS   A HA    1 c 
ATOM   821  H HB2   . HIS   A 1 46  ? -16.512 1.370   -0.245  1.000 7.491  0 158 HIS   A HB2   1 c 
ATOM   822  H HB3   . HIS   A 1 46  ? -17.748 1.641   0.680   1.000 7.483  0 158 HIS   A HB3   1 c 
ATOM   823  H HD1   . HIS   A 1 46  ? -14.532 3.151   -0.064  0.000 7.906  0 158 HIS   A HD1   1 c 
ATOM   824  H HD2   . HIS   A 1 46  ? -17.984 4.197   1.441   1.000 7.921  0 158 HIS   A HD2   1 c 
ATOM   825  H HE1   . HIS   A 1 46  ? -14.448 5.523   0.241   1.000 7.997  0 158 HIS   A HE1   1 c 
ATOM   826  H HE2   . HIS   A 1 46  ? -16.581 6.155   1.093   0.000 8.564  0 158 HIS   A HE2   1 c 
ATOM   827  N N     . PHE   A 1 47  ? -15.610 1.450   3.940   1.000 7.426  0 159 PHE   A N     1 ? 
ATOM   828  C CA    . PHE   A 1 47  ? -15.807 1.888   5.315   1.000 7.576  0 159 PHE   A CA    1 ? 
ATOM   829  C C     . PHE   A 1 47  ? -15.223 3.292   5.425   1.000 7.647  0 159 PHE   A C     1 ? 
ATOM   830  O O     . PHE   A 1 47  ? -14.014 3.458   5.291   1.000 7.687  0 159 PHE   A O     1 ? 
ATOM   831  C CB    . PHE   A 1 47  ? -15.138 0.881   6.257   1.000 7.576  0 159 PHE   A CB    1 ? 
ATOM   832  C CG    . PHE   A 1 47  ? -15.072 1.297   7.716   1.000 7.774  0 159 PHE   A CG    1 ? 
ATOM   833  C CD1   . PHE   A 1 47  ? -16.125 1.013   8.576   1.000 7.770  0 159 PHE   A CD1   1 ? 
ATOM   834  C CD2   . PHE   A 1 47  ? -13.969 1.983   8.212   1.000 8.147  0 159 PHE   A CD2   1 ? 
ATOM   835  C CE1   . PHE   A 1 47  ? -16.066 1.385   9.910   1.000 8.036  0 159 PHE   A CE1   1 ? 
ATOM   836  C CE2   . PHE   A 1 47  ? -13.912 2.349   9.546   1.000 8.143  0 159 PHE   A CE2   1 ? 
ATOM   837  C CZ    . PHE   A 1 47  ? -14.959 2.050   10.394  1.000 8.087  0 159 PHE   A CZ    1 ? 
ATOM   838  H H     . PHE   A 1 47  ? -14.752 1.362   3.638   1.000 7.424  0 159 PHE   A H     1 c 
ATOM   839  H HA    . PHE   A 1 47  ? -16.780 1.920   5.512   1.000 7.556  0 159 PHE   A HA    1 c 
ATOM   840  H HB2   . PHE   A 1 47  ? -15.627 0.030   6.196   1.000 7.602  0 159 PHE   A HB2   1 c 
ATOM   841  H HB3   . PHE   A 1 47  ? -14.225 0.717   5.936   1.000 7.604  0 159 PHE   A HB3   1 c 
ATOM   842  H HD1   . PHE   A 1 47  ? -16.880 0.550   8.250   1.000 7.802  0 159 PHE   A HD1   1 c 
ATOM   843  H HD2   . PHE   A 1 47  ? -13.247 2.183   7.638   1.000 8.084  0 159 PHE   A HD2   1 c 
ATOM   844  H HE1   . PHE   A 1 47  ? -16.785 1.181   10.487  1.000 8.003  0 159 PHE   A HE1   1 c 
ATOM   845  H HE2   . PHE   A 1 47  ? -13.156 2.809   9.875   1.000 8.106  0 159 PHE   A HE2   1 c 
ATOM   846  H HZ    . PHE   A 1 47  ? -14.923 2.310   11.301  1.000 8.050  0 159 PHE   A HZ    1 c 
ATOM   847  N N     . ASN   A 1 48  ? -16.080 4.292   5.674   1.000 7.648  0 160 ASN   A N     1 ? 
ATOM   848  C CA    . ASN   A 1 48  ? -15.727 5.684   5.415   1.000 7.825  0 160 ASN   A CA    1 ? 
ATOM   849  C C     . ASN   A 1 48  ? -16.146 6.590   6.568   1.000 7.937  0 160 ASN   A C     1 ? 
ATOM   850  O O     . ASN   A 1 48  ? -17.208 7.210   6.523   1.000 8.099  0 160 ASN   A O     1 ? 
ATOM   851  C CB    . ASN   A 1 48  ? -16.332 6.105   4.080   1.000 7.975  0 160 ASN   A CB    1 ? 
ATOM   852  C CG    . ASN   A 1 48  ? -16.210 7.573   3.735   1.000 8.260  0 160 ASN   A CG    1 ? 
ATOM   853  O OD1   . ASN   A 1 48  ? -17.129 8.128   3.127   1.000 8.805  0 160 ASN   A OD1   1 ? 
ATOM   854  N ND2   . ASN   A 1 48  ? -15.086 8.205   4.037   1.000 8.576  0 160 ASN   A ND2   1 ? 
ATOM   855  H H     . ASN   A 1 48  ? -16.905 4.103   6.017   1.000 7.634  0 160 ASN   A H     1 c 
ATOM   856  H HA    . ASN   A 1 48  ? -14.752 5.740   5.322   1.000 7.800  0 160 ASN   A HA    1 c 
ATOM   857  H HB2   . ASN   A 1 48  ? -15.903 5.587   3.371   1.000 7.988  0 160 ASN   A HB2   1 c 
ATOM   858  H HB3   . ASN   A 1 48  ? -17.280 5.870   4.081   1.000 8.004  0 160 ASN   A HB3   1 c 
ATOM   859  H HD21  . ASN   A 1 48  ? -14.381 7.753   4.328   1.000 8.498  0 160 ASN   A HD21  1 c 
ATOM   860  H HD22  . ASN   A 1 48  ? -15.038 9.086   3.944   1.000 8.494  0 160 ASN   A HD22  1 c 
ATOM   861  N N     . PRO   A 1 49  ? -15.294 6.738   7.609   1.000 7.844  0 161 PRO   A N     1 ? 
ATOM   862  C CA    . PRO   A 1 49  ? -15.473 7.803   8.593   1.000 7.956  0 161 PRO   A CA    1 ? 
ATOM   863  C C     . PRO   A 1 49  ? -15.394 9.191   7.961   1.000 8.131  0 161 PRO   A C     1 ? 
ATOM   864  O O     . PRO   A 1 49  ? -14.419 9.512   7.287   1.000 8.644  0 161 PRO   A O     1 ? 
ATOM   865  C CB    . PRO   A 1 49  ? -14.324 7.560   9.587   1.000 7.986  0 161 PRO   A CB    1 ? 
ATOM   866  C CG    . PRO   A 1 49  ? -13.972 6.100   9.412   1.000 8.021  0 161 PRO   A CG    1 ? 
ATOM   867  C CD    . PRO   A 1 49  ? -14.165 5.853   7.930   1.000 7.909  0 161 PRO   A CD    1 ? 
ATOM   868  H HA    . PRO   A 1 49  ? -16.343 7.683   9.050   1.000 7.960  0 161 PRO   A HA    1 c 
ATOM   869  H HB2   . PRO   A 1 49  ? -13.550 8.134   9.378   1.000 7.989  0 161 PRO   A HB2   1 c 
ATOM   870  H HB3   . PRO   A 1 49  ? -14.615 7.742   10.511  1.000 7.998  0 161 PRO   A HB3   1 c 
ATOM   871  H HG2   . PRO   A 1 49  ? -13.044 5.929   9.678   1.000 7.999  0 161 PRO   A HG2   1 c 
ATOM   872  H HG3   . PRO   A 1 49  ? -14.566 5.530   9.943   1.000 8.007  0 161 PRO   A HG3   1 c 
ATOM   873  H HD2   . PRO   A 1 49  ? -13.361 6.098   7.425   1.000 7.913  0 161 PRO   A HD2   1 c 
ATOM   874  H HD3   . PRO   A 1 49  ? -14.386 4.912   7.755   1.000 7.912  0 161 PRO   A HD3   1 c 
ATOM   875  N N     . ARG   A 1 50  ? -16.432 9.996   8.204   1.000 8.264  0 162 ARG   A N     1 ? 
ATOM   876  C CA    . ARG   A 1 50  ? -16.504 11.386  7.781   1.000 8.660  0 162 ARG   A CA    1 ? 
ATOM   877  C C     . ARG   A 1 50  ? -16.582 12.247  9.037   1.000 8.837  0 162 ARG   A C     1 ? 
ATOM   878  O O     . ARG   A 1 50  ? -17.506 12.081  9.828   1.000 9.155  0 162 ARG   A O     1 ? 
ATOM   879  C CB    . ARG   A 1 50  ? -17.742 11.606  6.906   1.000 8.896  0 162 ARG   A CB    1 ? 
ATOM   880  C CG    . ARG   A 1 50  ? -17.741 10.759  5.644   1.000 8.934  0 162 ARG   A CG    1 ? 
ATOM   881  C CD    . ARG   A 1 50  ? -18.954 11.022  4.774   1.000 8.819  0 162 ARG   A CD    1 ? 
ATOM   882  N NE    . ARG   A 1 50  ? -18.914 10.150  3.601   1.000 8.996  0 162 ARG   A NE    1 ? 
ATOM   883  C CZ    . ARG   A 1 50  ? -19.805 10.135  2.619   1.000 8.921  0 162 ARG   A CZ    1 ? 
ATOM   884  N NH1   . ARG   A 1 50  ? -20.851 10.942  2.662   1.000 9.138  0 162 ARG   A NH1   1 ? 
ATOM   885  N NH2   . ARG   A 1 50  ? -19.656 9.301   1.598   1.000 9.186  0 162 ARG   A NH2   1 ? 
ATOM   886  H H     . ARG   A 1 50  ? -17.141 9.653   8.666   1.000 8.316  0 162 ARG   A H     1 c 
ATOM   887  H HA    . ARG   A 1 50  ? -15.685 11.613  7.272   1.000 8.652  0 162 ARG   A HA    1 c 
ATOM   888  H HB2   . ARG   A 1 50  ? -18.544 11.394  7.430   1.000 8.858  0 162 ARG   A HB2   1 c 
ATOM   889  H HB3   . ARG   A 1 50  ? -17.790 12.553  6.654   1.000 8.861  0 162 ARG   A HB3   1 c 
ATOM   890  H HG2   . ARG   A 1 50  ? -16.928 10.951  5.127   1.000 8.914  0 162 ARG   A HG2   1 c 
ATOM   891  H HG3   . ARG   A 1 50  ? -17.726 9.809   5.892   1.000 8.908  0 162 ARG   A HG3   1 c 
ATOM   892  H HD2   . ARG   A 1 50  ? -19.771 10.850  5.284   1.000 8.866  0 162 ARG   A HD2   1 c 
ATOM   893  H HD3   . ARG   A 1 50  ? -18.959 11.958  4.488   1.000 8.869  0 162 ARG   A HD3   1 c 
ATOM   894  H HE    . ARG   A 1 50  ? -18.249 9.591   3.539   1.000 8.939  0 162 ARG   A HE    1 c 
ATOM   895  H HH11  . ARG   A 1 50  ? -21.434 10.937  1.998   1.000 9.111  0 162 ARG   A HH11  1 c 
ATOM   896  H HH12  . ARG   A 1 50  ? -20.971 11.485  3.348   1.000 9.079  0 162 ARG   A HH12  1 c 
ATOM   897  H HH21  . ARG   A 1 50  ? -20.251 9.295   0.943   1.000 9.125  0 162 ARG   A HH21  1 c 
ATOM   898  H HH22  . ARG   A 1 50  ? -18.964 8.752   1.573   1.000 9.123  0 162 ARG   A HH22  1 c 
ATOM   899  N N     . PHE   A 1 51  ? -15.619 13.158  9.202   1.000 9.295  0 163 PHE   A N     1 ? 
ATOM   900  C CA    . PHE   A 1 51  ? -15.474 13.932  10.430  1.000 9.801  0 163 PHE   A CA    1 ? 
ATOM   901  C C     . PHE   A 1 51  ? -16.297 15.218  10.394  1.000 10.652 0 163 PHE   A C     1 ? 
ATOM   902  O O     . PHE   A 1 51  ? -16.476 15.835  11.441  1.000 11.347 0 163 PHE   A O     1 ? 
ATOM   903  C CB    . PHE   A 1 51  ? -14.003 14.265  10.687  1.000 10.062 0 163 PHE   A CB    1 ? 
ATOM   904  C CG    . PHE   A 1 51  ? -13.186 13.068  11.141  1.000 10.192 0 163 PHE   A CG    1 ? 
ATOM   905  C CD1   . PHE   A 1 51  ? -12.764 12.108  10.230  1.000 10.290 0 163 PHE   A CD1   1 ? 
ATOM   906  C CD2   . PHE   A 1 51  ? -12.828 12.908  12.475  1.000 10.269 0 163 PHE   A CD2   1 ? 
ATOM   907  C CE1   . PHE   A 1 51  ? -12.019 11.014  10.639  1.000 10.526 0 163 PHE   A CE1   1 ? 
ATOM   908  C CE2   . PHE   A 1 51  ? -12.074 11.814  12.875  1.000 10.391 0 163 PHE   A CE2   1 ? 
ATOM   909  C CZ    . PHE   A 1 51  ? -11.679 10.867  11.963  1.000 10.646 0 163 PHE   A CZ    1 ? 
ATOM   910  H H     . PHE   A 1 51  ? -15.028 13.306  8.521   1.000 9.269  0 163 PHE   A H     1 c 
ATOM   911  H HA    . PHE   A 1 51  ? -15.800 13.377  11.188  1.000 9.852  0 163 PHE   A HA    1 c 
ATOM   912  H HB2   . PHE   A 1 51  ? -13.613 14.625  9.859   1.000 10.045 0 163 PHE   A HB2   1 c 
ATOM   913  H HB3   . PHE   A 1 51  ? -13.954 14.966  11.375  1.000 10.041 0 163 PHE   A HB3   1 c 
ATOM   914  H HD1   . PHE   A 1 51  ? -13.000 12.197  9.321   1.000 10.290 0 163 PHE   A HD1   1 c 
ATOM   915  H HD2   . PHE   A 1 51  ? -13.099 13.550  13.111  1.000 10.268 0 163 PHE   A HD2   1 c 
ATOM   916  H HE1   . PHE   A 1 51  ? -11.746 10.369  10.006  1.000 10.494 0 163 PHE   A HE1   1 c 
ATOM   917  H HE2   . PHE   A 1 51  ? -11.842 11.715  13.785  1.000 10.378 0 163 PHE   A HE2   1 c 
ATOM   918  H HZ    . PHE   A 1 51  ? -11.166 10.125  12.241  1.000 10.576 0 163 PHE   A HZ    1 c 
ATOM   919  N N     . ASN   A 1 52  ? -16.780 15.627  9.216   1.000 11.378 0 164 ASN   A N     1 ? 
ATOM   920  C CA    . ASN   A 1 52  ? -17.535 16.866  9.090   1.000 12.965 0 164 ASN   A CA    1 ? 
ATOM   921  C C     . ASN   A 1 52  ? -18.472 16.771  7.892   1.000 12.876 0 164 ASN   A C     1 ? 
ATOM   922  O O     . ASN   A 1 52  ? -18.225 17.372  6.845   1.000 14.777 0 164 ASN   A O     1 ? 
ATOM   923  C CB    . ASN   A 1 52  ? -16.633 18.092  8.984   1.000 15.244 0 164 ASN   A CB    1 ? 
ATOM   924  C CG    . ASN   A 1 52  ? -17.425 19.380  9.036   1.000 17.608 0 164 ASN   A CG    1 ? 
ATOM   925  O OD1   . ASN   A 1 52  ? -18.616 19.369  9.368   1.000 20.134 0 164 ASN   A OD1   1 ? 
ATOM   926  N ND2   . ASN   A 1 52  ? -16.791 20.496  8.709   1.000 20.295 0 164 ASN   A ND2   1 ? 
ATOM   927  H H     . ASN   A 1 52  ? -16.632 15.123  8.468   1.000 11.390 0 164 ASN   A H     1 c 
ATOM   928  H HA    . ASN   A 1 52  ? -18.083 16.973  9.900   1.000 12.913 0 164 ASN   A HA    1 c 
ATOM   929  H HB2   . ASN   A 1 52  ? -15.990 18.082  9.721   1.000 15.077 0 164 ASN   A HB2   1 c 
ATOM   930  H HB3   . ASN   A 1 52  ? -16.133 18.055  8.145   1.000 15.109 0 164 ASN   A HB3   1 c 
ATOM   931  H HD21  . ASN   A 1 52  ? -15.940 20.467  8.461   1.000 19.729 0 164 ASN   A HD21  1 c 
ATOM   932  H HD22  . ASN   A 1 52  ? -17.220 21.272  8.737   1.000 19.771 0 164 ASN   A HD22  1 c 
ATOM   933  N N     . GLU   A 1 53  ? -19.538 15.988  8.059   1.000 11.562 0 165 GLU   A N     1 ? 
ATOM   934  C CA    . GLU   A 1 53  ? -20.642 15.969  7.115   1.000 11.403 0 165 GLU   A CA    1 ? 
ATOM   935  C C     . GLU   A 1 53  ? -21.834 16.665  7.764   1.000 11.463 0 165 GLU   A C     1 ? 
ATOM   936  O O     . GLU   A 1 53  ? -22.404 16.152  8.723   1.000 11.760 0 165 GLU   A O     1 ? 
ATOM   937  C CB    . GLU   A 1 53  ? -21.008 14.539  6.730   1.000 11.820 0 165 GLU   A CB    1 ? 
ATOM   938  C CG    . GLU   A 1 53  ? -22.042 14.498  5.612   1.000 12.105 0 165 GLU   A CG    1 ? 
ATOM   939  C CD    . GLU   A 1 53  ? -22.656 13.132  5.398   1.000 12.769 0 165 GLU   A CD    1 ? 
ATOM   940  O OE1   . GLU   A 1 53  ? -23.409 12.675  6.286   1.000 13.211 0 165 GLU   A OE1   1 ? 
ATOM   941  O OE2   . GLU   A 1 53  ? -22.370 12.531  4.342   1.000 13.478 0 165 GLU   A OE2   1 ? 
ATOM   942  H H     . GLU   A 1 53  ? -19.578 15.443  8.791   1.000 11.692 0 165 GLU   A H     1 c 
ATOM   943  H HA    . GLU   A 1 53  ? -20.378 16.467  6.300   1.000 11.479 0 165 GLU   A HA    1 c 
ATOM   944  H HB2   . GLU   A 1 53  ? -20.197 14.071  6.440   1.000 11.798 0 165 GLU   A HB2   1 c 
ATOM   945  H HB3   . GLU   A 1 53  ? -21.358 14.075  7.518   1.000 11.804 0 165 GLU   A HB3   1 c 
ATOM   946  H HG2   . GLU   A 1 53  ? -22.761 15.133  5.815   1.000 12.158 0 165 GLU   A HG2   1 c 
ATOM   947  H HG3   . GLU   A 1 53  ? -21.619 14.785  4.775   1.000 12.150 0 165 GLU   A HG3   1 c 
ATOM   948  N N     . ASN   A 1 54  ? -22.166 17.862  7.279   1.000 11.826 0 166 ASN   A N     1 ? 
ATOM   949  C CA    . ASN   A 1 54  ? -23.235 18.663  7.863   1.000 12.773 0 166 ASN   A CA    1 ? 
ATOM   950  C C     . ASN   A 1 54  ? -22.987 18.851  9.361   1.000 12.428 0 166 ASN   A C     1 ? 
ATOM   951  O O     . ASN   A 1 54  ? -23.918 18.759  10.160  1.000 12.836 0 166 ASN   A O     1 ? 
ATOM   952  C CB    . ASN   A 1 54  ? -24.607 18.060  7.568   1.000 14.412 0 166 ASN   A CB    1 ? 
ATOM   953  C CG    . ASN   A 1 54  ? -25.752 18.937  8.024   1.000 15.841 0 166 ASN   A CG    1 ? 
ATOM   954  O OD1   . ASN   A 1 54  ? -26.772 18.430  8.506   1.000 19.293 0 166 ASN   A OD1   1 ? 
ATOM   955  N ND2   . ASN   A 1 54  ? -25.620 20.244  7.860   1.000 16.109 0 166 ASN   A ND2   1 ? 
ATOM   956  H H     . ASN   A 1 54  ? -21.713 18.195  6.558   1.000 11.902 0 166 ASN   A H     1 c 
ATOM   957  H HA    . ASN   A 1 54  ? -23.207 19.548  7.437   1.000 12.793 0 166 ASN   A HA    1 c 
ATOM   958  H HB2   . ASN   A 1 54  ? -24.688 17.906  6.607   1.000 14.369 0 166 ASN   A HB2   1 c 
ATOM   959  H HB3   . ASN   A 1 54  ? -24.677 17.194  8.017   1.000 14.305 0 166 ASN   A HB3   1 c 
ATOM   960  H HD21  . ASN   A 1 54  ? -24.983 20.575  7.338   1.000 16.010 0 166 ASN   A HD21  1 c 
ATOM   961  H HD22  . ASN   A 1 54  ? -26.182 20.795  8.272   1.000 16.029 0 166 ASN   A HD22  1 c 
ATOM   962  N N     . ASN   A 1 55  ? -21.724 19.115  9.720   1.000 12.791 0 167 ASN   A N     1 ? 
ATOM   963  C CA    . ASN   A 1 55  ? -21.330 19.478  11.078  1.000 13.499 0 167 ASN   A CA    1 ? 
ATOM   964  C C     . ASN   A 1 55  ? -21.585 18.342  12.063  1.000 14.160 0 167 ASN   A C     1 ? 
ATOM   965  O O     . ASN   A 1 55  ? -21.791 18.576  13.256  1.000 15.570 0 167 ASN   A O     1 ? 
ATOM   966  C CB    . ASN   A 1 55  ? -21.991 20.774  11.529  1.000 14.460 0 167 ASN   A CB    1 ? 
ATOM   967  C CG    . ASN   A 1 55  ? -21.584 21.915  10.636  1.000 15.584 0 167 ASN   A CG    1 ? 
ATOM   968  O OD1   . ASN   A 1 55  ? -22.430 22.517  9.968   1.000 16.432 0 167 ASN   A OD1   1 ? 
ATOM   969  N ND2   . ASN   A 1 55  ? -20.288 22.177  10.570  1.000 17.390 0 167 ASN   A ND2   1 ? 
ATOM   970  H H     . ASN   A 1 55  ? -21.071 19.082  9.081   1.000 12.804 0 167 ASN   A H     1 c 
ATOM   971  H HA    . ASN   A 1 55  ? -20.362 19.640  11.070  1.000 13.670 0 167 ASN   A HA    1 c 
ATOM   972  H HB2   . ASN   A 1 55  ? -22.963 20.672  11.507  1.000 14.436 0 167 ASN   A HB2   1 c 
ATOM   973  H HB3   . ASN   A 1 55  ? -21.726 20.972  12.449  1.000 14.416 0 167 ASN   A HB3   1 c 
ATOM   974  H HD21  . ASN   A 1 55  ? -19.720 21.754  11.103  1.000 16.981 0 167 ASN   A HD21  1 c 
ATOM   975  H HD22  . ASN   A 1 55  ? -19.988 22.774  9.987   1.000 17.020 0 167 ASN   A HD22  1 c 
ATOM   976  N N     . ARG   A 1 56  ? -21.494 17.104  11.583  1.000 13.935 0 168 ARG   A N     1 ? 
ATOM   977  C CA    . ARG   A 1 56  ? -21.429 15.980  12.497  1.000 14.593 0 168 ARG   A CA    1 ? 
ATOM   978  C C     . ARG   A 1 56  ? -20.552 14.886  11.904  1.000 12.678 0 168 ARG   A C     1 ? 
ATOM   979  O O     . ARG   A 1 56  ? -20.122 14.952  10.752  1.000 12.991 0 168 ARG   A O     1 ? 
ATOM   980  C CB    . ARG   A 1 56  ? -22.838 15.509  12.857  1.000 16.845 0 168 ARG   A CB    1 ? 
ATOM   981  C CG    . ARG   A 1 56  ? -23.625 15.004  11.661  1.000 17.748 0 168 ARG   A CG    1 ? 
ATOM   982  C CD    . ARG   A 1 56  ? -25.114 15.196  11.854  1.000 19.088 0 168 ARG   A CD    1 ? 
ATOM   983  N NE    . ARG   A 1 56  ? -25.514 16.606  11.885  1.000 20.398 0 168 ARG   A NE    1 ? 
ATOM   984  C CZ    . ARG   A 1 56  ? -26.747 17.025  12.153  1.000 20.317 0 168 ARG   A CZ    1 ? 
ATOM   985  N NH1   . ARG   A 1 56  ? -27.013 18.320  12.213  1.000 21.233 0 168 ARG   A NH1   1 ? 
ATOM   986  N NH2   . ARG   A 1 56  ? -27.712 16.147  12.375  1.000 20.526 0 168 ARG   A NH2   1 ? 
ATOM   987  H H     . ARG   A 1 56  ? -21.467 16.952  10.683  1.000 13.970 0 168 ARG   A H     1 c 
ATOM   988  H HA    . ARG   A 1 56  ? -20.997 16.290  13.334  1.000 14.487 0 168 ARG   A HA    1 c 
ATOM   989  H HB2   . ARG   A 1 56  ? -22.773 14.789  13.520  1.000 16.597 0 168 ARG   A HB2   1 c 
ATOM   990  H HB3   . ARG   A 1 56  ? -23.326 16.253  13.271  1.000 16.642 0 168 ARG   A HB3   1 c 
ATOM   991  H HG2   . ARG   A 1 56  ? -23.342 15.486  10.856  1.000 17.663 0 168 ARG   A HG2   1 c 
ATOM   992  H HG3   . ARG   A 1 56  ? -23.438 14.049  11.528  1.000 17.758 0 168 ARG   A HG3   1 c 
ATOM   993  H HD2   . ARG   A 1 56  ? -25.584 14.748  11.123  1.000 19.119 0 168 ARG   A HD2   1 c 
ATOM   994  H HD3   . ARG   A 1 56  ? -25.383 14.768  12.692  1.000 19.085 0 168 ARG   A HD3   1 c 
ATOM   995  H HE    . ARG   A 1 56  ? -24.906 17.208  11.718  1.000 20.154 0 168 ARG   A HE    1 c 
ATOM   996  H HH11  . ARG   A 1 56  ? -27.836 18.594  12.385  1.000 21.066 0 168 ARG   A HH11  1 c 
ATOM   997  H HH12  . ARG   A 1 56  ? -26.368 18.910  12.080  1.000 21.021 0 168 ARG   A HH12  1 c 
ATOM   998  H HH21  . ARG   A 1 56  ? -28.503 16.429  12.653  1.000 20.540 0 168 ARG   A HH21  1 c 
ATOM   999  H HH22  . ARG   A 1 56  ? -27.574 15.284  12.246  1.000 20.506 0 168 ARG   A HH22  1 c 
ATOM   1000 N N     . ARG   A 1 57  ? -20.261 13.906  12.757  1.000 10.918 0 169 ARG   A N     1 ? 
ATOM   1001 C CA    . ARG   A 1 57  ? -19.367 12.813  12.420  1.000 10.243 0 169 ARG   A CA    1 ? 
ATOM   1002 C C     . ARG   A 1 57  ? -20.223 11.581  12.164  1.000 10.181 0 169 ARG   A C     1 ? 
ATOM   1003 O O     . ARG   A 1 57  ? -21.169 11.316  12.908  1.000 11.214 0 169 ARG   A O     1 ? 
ATOM   1004 C CB    . ARG   A 1 57  ? -18.359 12.634  13.560  1.000 10.623 0 169 ARG   A CB    1 ? 
ATOM   1005 C CG    . ARG   A 1 57  ? -17.693 13.947  13.945  1.000 11.258 0 169 ARG   A CG    1 ? 
ATOM   1006 C CD    . ARG   A 1 57  ? -16.504 13.777  14.862  1.000 12.213 0 169 ARG   A CD    1 ? 
ATOM   1007 N NE    . ARG   A 1 57  ? -16.880 13.099  16.104  1.000 12.449 0 169 ARG   A NE    1 ? 
ATOM   1008 C CZ    . ARG   A 1 57  ? -16.012 12.600  16.970  1.000 13.672 0 169 ARG   A CZ    1 ? 
ATOM   1009 N NH1   . ARG   A 1 57  ? -16.451 11.963  18.038  1.000 14.481 0 169 ARG   A NH1   1 ? 
ATOM   1010 N NH2   . ARG   A 1 57  ? -14.713 12.724  16.750  1.000 14.667 0 169 ARG   A NH2   1 ? 
ATOM   1011 H H     . ARG   A 1 57  ? -20.636 13.920  13.590  1.000 11.023 0 169 ARG   A H     1 c 
ATOM   1012 H HA    . ARG   A 1 57  ? -18.879 13.048  11.593  1.000 10.331 0 169 ARG   A HA    1 c 
ATOM   1013 H HB2   . ARG   A 1 57  ? -18.820 12.264  14.342  1.000 10.661 0 169 ARG   A HB2   1 c 
ATOM   1014 H HB3   . ARG   A 1 57  ? -17.669 11.994  13.282  1.000 10.638 0 169 ARG   A HB3   1 c 
ATOM   1015 H HG2   . ARG   A 1 57  ? -17.399 14.406  13.131  1.000 11.271 0 169 ARG   A HG2   1 c 
ATOM   1016 H HG3   . ARG   A 1 57  ? -18.353 14.522  14.390  1.000 11.309 0 169 ARG   A HG3   1 c 
ATOM   1017 H HD2   . ARG   A 1 57  ? -15.817 13.254  14.401  1.000 12.114 0 169 ARG   A HD2   1 c 
ATOM   1018 H HD3   . ARG   A 1 57  ? -16.128 14.656  15.074  1.000 12.080 0 169 ARG   A HD3   1 c 
ATOM   1019 H HE    . ARG   A 1 57  ? -17.729 13.023  16.288  1.000 12.578 0 169 ARG   A HE    1 c 
ATOM   1020 H HH11  . ARG   A 1 57  ? -15.874 11.628  18.618  1.000 14.351 0 169 ARG   A HH11  1 c 
ATOM   1021 H HH12  . ARG   A 1 57  ? -17.320 11.871  18.173  1.000 14.321 0 169 ARG   A HH12  1 c 
ATOM   1022 H HH21  . ARG   A 1 57  ? -14.142 12.277  17.253  1.000 14.430 0 169 ARG   A HH21  1 c 
ATOM   1023 H HH22  . ARG   A 1 57  ? -14.412 13.250  16.107  1.000 14.405 0 169 ARG   A HH22  1 c 
ATOM   1024 N N     . VAL   A 1 58  ? -19.904 10.853  11.090  1.000 9.690  0 170 VAL   A N     1 ? 
ATOM   1025 C CA    . VAL   A 1 58  ? -20.704 9.705   10.686  1.000 9.899  0 170 VAL   A CA    1 ? 
ATOM   1026 C C     . VAL   A 1 58  ? -19.787 8.679   10.023  1.000 9.554  0 170 VAL   A C     1 ? 
ATOM   1027 O O     . VAL   A 1 58  ? -18.789 9.048   9.404   1.000 10.007 0 170 VAL   A O     1 ? 
ATOM   1028 C CB    . VAL   A 1 58  ? -21.851 10.141  9.751   1.000 10.576 0 170 VAL   A CB    1 ? 
ATOM   1029 C CG1   . VAL   A 1 58  ? -21.341 10.763  8.456   1.000 10.759 0 170 VAL   A CG1   1 ? 
ATOM   1030 C CG2   . VAL   A 1 58  ? -22.823 9.004   9.470   1.000 11.237 0 170 VAL   A CG2   1 ? 
ATOM   1031 H H     . VAL   A 1 58  ? -19.169 11.076  10.595  1.000 9.792  0 170 VAL   A H     1 c 
ATOM   1032 H HA    . VAL   A 1 58  ? -21.093 9.301   11.486  1.000 9.899  0 170 VAL   A HA    1 c 
ATOM   1033 H HB    . VAL   A 1 58  ? -22.355 10.842  10.227  1.000 10.569 0 170 VAL   A HB    1 c 
ATOM   1034 H HG11  . VAL   A 1 58  ? -20.808 10.112  7.968   1.000 10.740 0 170 VAL   A HG11  1 c 
ATOM   1035 H HG12  . VAL   A 1 58  ? -20.794 11.540  8.661   1.000 10.721 0 170 VAL   A HG12  1 c 
ATOM   1036 H HG13  . VAL   A 1 58  ? -22.096 11.036  7.909   1.000 10.725 0 170 VAL   A HG13  1 c 
ATOM   1037 H HG21  . VAL   A 1 58  ? -23.540 9.324   8.897   1.000 11.126 0 170 VAL   A HG21  1 c 
ATOM   1038 H HG22  . VAL   A 1 58  ? -23.198 8.683   10.308  1.000 11.149 0 170 VAL   A HG22  1 c 
ATOM   1039 H HG23  . VAL   A 1 58  ? -22.356 8.277   9.026   1.000 11.116 0 170 VAL   A HG23  1 c 
ATOM   1040 N N     . ILE   A 1 59  ? -20.130 7.394   10.186  1.000 9.576  0 171 ILE   A N     1 ? 
ATOM   1041 C CA    . ILE   A 1 59  ? -19.504 6.308   9.444   1.000 9.838  0 171 ILE   A CA    1 ? 
ATOM   1042 C C     . ILE   A 1 59  ? -20.424 5.973   8.272   1.000 9.295  0 171 ILE   A C     1 ? 
ATOM   1043 O O     . ILE   A 1 59  ? -21.574 5.607   8.487   1.000 9.583  0 171 ILE   A O     1 ? 
ATOM   1044 C CB    . ILE   A 1 59  ? -19.285 5.056   10.321  1.000 11.000 0 171 ILE   A CB    1 ? 
ATOM   1045 C CG1   . ILE   A 1 59  ? -18.655 5.350   11.700  1.000 11.550 0 171 ILE   A CG1   1 ? 
ATOM   1046 C CG2   . ILE   A 1 59  ? -18.493 4.010   9.531   1.000 11.327 0 171 ILE   A CG2   1 ? 
ATOM   1047 C CD1   . ILE   A 1 59  ? -17.200 5.765   11.648  1.000 12.070 0 171 ILE   A CD1   1 ? 
ATOM   1048 H H     . ILE   A 1 59  ? -20.785 7.188   10.788  1.000 9.612  0 171 ILE   A H     1 c 
ATOM   1049 H HA    . ILE   A 1 59  ? -18.641 6.610   9.101   1.000 9.851  0 171 ILE   A HA    1 c 
ATOM   1050 H HB    . ILE   A 1 59  ? -20.167 4.675   10.496  1.000 10.921 0 171 ILE   A HB    1 c 
ATOM   1051 H HG12  . ILE   A 1 59  ? -19.169 6.060   12.136  1.000 11.526 0 171 ILE   A HG12  1 c 
ATOM   1052 H HG13  . ILE   A 1 59  ? -18.731 4.546   12.254  1.000 11.529 0 171 ILE   A HG13  1 c 
ATOM   1053 H HG21  . ILE   A 1 59  ? -18.318 3.239   10.097  1.000 11.265 0 171 ILE   A HG21  1 c 
ATOM   1054 H HG22  . ILE   A 1 59  ? -17.649 4.392   9.238   1.000 11.282 0 171 ILE   A HG22  1 c 
ATOM   1055 H HG23  . ILE   A 1 59  ? -19.006 3.728   8.755   1.000 11.258 0 171 ILE   A HG23  1 c 
ATOM   1056 H HD11  . ILE   A 1 59  ? -16.662 5.045   11.268  1.000 11.966 0 171 ILE   A HD11  1 c 
ATOM   1057 H HD12  . ILE   A 1 59  ? -16.887 5.959   12.552  1.000 12.013 0 171 ILE   A HD12  1 c 
ATOM   1058 H HD13  . ILE   A 1 59  ? -17.108 6.564   11.096  1.000 11.998 0 171 ILE   A HD13  1 c 
ATOM   1059 N N     . VAL   A 1 60  ? -19.913 6.070   7.039   1.000 8.778  0 172 VAL   A N     1 ? 
ATOM   1060 C CA    . VAL   A 1 60  ? -20.664 5.665   5.860   1.000 8.632  0 172 VAL   A CA    1 ? 
ATOM   1061 C C     . VAL   A 1 60  ? -20.054 4.374   5.319   1.000 8.059  0 172 VAL   A C     1 ? 
ATOM   1062 O O     . VAL   A 1 60  ? -18.849 4.326   5.079   1.000 8.714  0 172 VAL   A O     1 ? 
ATOM   1063 C CB    . VAL   A 1 60  ? -20.659 6.772   4.792   1.000 9.182  0 172 VAL   A CB    1 ? 
ATOM   1064 C CG1   . VAL   A 1 60  ? -21.414 6.343   3.544   1.000 9.458  0 172 VAL   A CG1   1 ? 
ATOM   1065 C CG2   . VAL   A 1 60  ? -21.231 8.072   5.337   1.000 9.669  0 172 VAL   A CG2   1 ? 
ATOM   1066 H H     . VAL   A 1 60  ? -19.069 6.403   6.930   1.000 8.831  0 172 VAL   A H     1 c 
ATOM   1067 H HA    . VAL   A 1 60  ? -21.589 5.490   6.121   1.000 8.633  0 172 VAL   A HA    1 c 
ATOM   1068 H HB    . VAL   A 1 60  ? -19.719 6.933   4.542   1.000 9.180  0 172 VAL   A HB    1 c 
ATOM   1069 H HG11  . VAL   A 1 60  ? -22.330 6.119   3.779   1.000 9.417  0 172 VAL   A HG11  1 c 
ATOM   1070 H HG12  . VAL   A 1 60  ? -20.982 5.566   3.151   1.000 9.419  0 172 VAL   A HG12  1 c 
ATOM   1071 H HG13  . VAL   A 1 60  ? -21.415 7.071   2.899   1.000 9.395  0 172 VAL   A HG13  1 c 
ATOM   1072 H HG21  . VAL   A 1 60  ? -21.227 8.747   4.638   1.000 9.587  0 172 VAL   A HG21  1 c 
ATOM   1073 H HG22  . VAL   A 1 60  ? -20.691 8.379   6.084   1.000 9.599  0 172 VAL   A HG22  1 c 
ATOM   1074 H HG23  . VAL   A 1 60  ? -22.144 7.925   5.637   1.000 9.594  0 172 VAL   A HG23  1 c 
ATOM   1075 N N     . CYS   A 1 61  ? -20.899 3.363   5.081   1.000 7.868  0 173 CYS   A N     1 ? 
ATOM   1076 C CA    . CYS   A 1 61  ? -20.484 2.114   4.455   1.000 7.902  0 173 CYS   A CA    1 ? 
ATOM   1077 C C     . CYS   A 1 61  ? -21.280 1.889   3.174   1.000 7.759  0 173 CYS   A C     1 ? 
ATOM   1078 O O     . CYS   A 1 61  ? -22.456 2.227   3.103   1.000 8.079  0 173 CYS   A O     1 ? 
ATOM   1079 C CB    . CYS   A 1 61  ? -20.669 0.943   5.409   1.000 8.272  0 173 CYS   A CB    1 ? 
ATOM   1080 S SG    . CYS   A 1 61  ? -19.594 1.039   6.861   1.000 9.227  0 173 CYS   A SG    1 ? 
ATOM   1081 H H     . CYS   A 1 61  ? -21.775 3.459   5.320   1.000 7.905  0 173 CYS   A H     1 c 
ATOM   1082 H HA    . CYS   A 1 61  ? -19.528 2.190   4.223   1.000 7.913  0 173 CYS   A HA    1 c 
ATOM   1083 H HB2   . CYS   A 1 61  ? -21.604 0.917   5.712   1.000 8.312  0 173 CYS   A HB2   1 c 
ATOM   1084 H HB3   . CYS   A 1 61  ? -20.480 0.104   4.933   1.000 8.309  0 173 CYS   A HB3   1 c 
ATOM   1085 H HG    . CYS   A 1 61  ? -19.960 0.022   7.410   0.000 9.467  0 173 CYS   A HG    1 c 
ATOM   1086 N N     . ASN   A 1 62  ? -20.626 1.311   2.165   1.000 7.528  0 174 ASN   A N     1 ? 
ATOM   1087 C CA    . ASN   A 1 62  ? -21.270 1.082   0.880   1.000 7.600  0 174 ASN   A CA    1 ? 
ATOM   1088 C C     . ASN   A 1 62  ? -20.453 0.076   0.070   1.000 7.619  0 174 ASN   A C     1 ? 
ATOM   1089 O O     . ASN   A 1 62  ? -19.386 -0.369  0.489   1.000 7.735  0 174 ASN   A O     1 ? 
ATOM   1090 C CB    . ASN   A 1 62  ? -21.461 2.405   0.138   1.000 7.759  0 174 ASN   A CB    1 ? 
ATOM   1091 C CG    . ASN   A 1 62  ? -22.621 2.423   -0.836  1.000 7.852  0 174 ASN   A CG    1 ? 
ATOM   1092 O OD1   . ASN   A 1 62  ? -23.222 1.386   -1.143  1.000 8.169  0 174 ASN   A OD1   1 ? 
ATOM   1093 N ND2   . ASN   A 1 62  ? -22.962 3.612   -1.313  1.000 8.173  0 174 ASN   A ND2   1 ? 
ATOM   1094 H H     . ASN   A 1 62  ? -19.758 1.051   2.279   1.000 7.566  0 174 ASN   A H     1 c 
ATOM   1095 H HA    . ASN   A 1 62  ? -22.161 0.699   1.045   1.000 7.608  0 174 ASN   A HA    1 c 
ATOM   1096 H HB2   . ASN   A 1 62  ? -21.596 3.118   0.793   1.000 7.745  0 174 ASN   A HB2   1 c 
ATOM   1097 H HB3   . ASN   A 1 62  ? -20.640 2.610   -0.353  1.000 7.745  0 174 ASN   A HB3   1 c 
ATOM   1098 H HD21  . ASN   A 1 62  ? -22.535 4.339   -1.036  1.000 8.087  0 174 ASN   A HD21  1 c 
ATOM   1099 H HD22  . ASN   A 1 62  ? -23.613 3.682   -1.908  1.000 8.107  0 174 ASN   A HD22  1 c 
ATOM   1100 N N     . THR   A 1 63  ? -21.011 -0.266  -1.100  1.000 7.692  0 175 THR   A N     1 ? 
ATOM   1101 C CA    . THR   A 1 63  ? -20.429 -1.149  -2.103  1.000 7.869  0 175 THR   A CA    1 ? 
ATOM   1102 C C     . THR   A 1 63  ? -20.456 -0.408  -3.440  1.000 8.101  0 175 THR   A C     1 ? 
ATOM   1103 O O     . THR   A 1 63  ? -21.417 0.306   -3.716  1.000 8.282  0 175 THR   A O     1 ? 
ATOM   1104 C CB    . THR   A 1 63  ? -21.247 -2.445  -2.153  1.000 7.922  0 175 THR   A CB    1 ? 
ATOM   1105 O OG1   . THR   A 1 63  ? -21.038 -3.152  -0.931  1.000 8.003  0 175 THR   A OG1   1 ? 
ATOM   1106 C CG2   . THR   A 1 63  ? -20.895 -3.354  -3.318  1.000 7.943  0 175 THR   A CG2   1 ? 
ATOM   1107 H H     . THR   A 1 63  ? -21.838 0.076   -1.277  1.000 7.695  0 175 THR   A H     1 c 
ATOM   1108 H HA    . THR   A 1 63  ? -19.504 -1.355  -1.854  1.000 7.879  0 175 THR   A HA    1 c 
ATOM   1109 H HB    . THR   A 1 63  ? -22.204 -2.214  -2.224  1.000 7.926  0 175 THR   A HB    1 c 
ATOM   1110 H HG1   . THR   A 1 63  ? -20.203 -3.342  -0.836  0.000 7.988  0 175 THR   A HG1   1 c 
ATOM   1111 H HG21  . THR   A 1 63  ? -21.447 -4.154  -3.283  1.000 7.937  0 175 THR   A HG21  1 c 
ATOM   1112 H HG22  . THR   A 1 63  ? -19.960 -3.607  -3.263  1.000 7.940  0 175 THR   A HG22  1 c 
ATOM   1113 H HG23  . THR   A 1 63  ? -21.056 -2.890  -4.156  1.000 7.945  0 175 THR   A HG23  1 c 
ATOM   1114 N N     . LYS   A 1 64  ? -19.396 -0.577  -4.240  1.000 8.316  0 176 LYS   A N     1 ? 
ATOM   1115 C CA    . LYS   A 1 64  ? -19.316 0.008   -5.574  1.000 8.765  0 176 LYS   A CA    1 ? 
ATOM   1116 C C     . LYS   A 1 64  ? -19.252 -1.123  -6.599  1.000 8.775  0 176 LYS   A C     1 ? 
ATOM   1117 O O     . LYS   A 1 64  ? -18.361 -1.968  -6.534  1.000 9.199  0 176 LYS   A O     1 ? 
ATOM   1118 C CB    . LYS   A 1 64  ? -18.096 0.930   -5.686  1.000 9.542  0 176 LYS   A CB    1 ? 
ATOM   1119 C CG    . LYS   A 1 64  ? -18.125 1.921   -6.843  1.000 10.589 0 176 LYS   A CG    1 ? 
ATOM   1120 C CD    . LYS   A 1 64  ? -16.818 2.694   -6.954  1.000 12.676 0 176 LYS   A CD    1 ? 
ATOM   1121 C CE    . LYS   A 1 64  ? -16.892 3.980   -7.709  1.000 14.338 0 176 LYS   A CE    1 ? 
ATOM   1122 N NZ    . LYS   A 1 64  ? -15.568 4.611   -7.741  1.000 16.299 0 176 LYS   A NZ    1 ? 
ATOM   1123 H H     . LYS   A 1 64  ? -18.694 -1.079  -3.941  1.000 8.327  0 176 LYS   A H     1 c 
ATOM   1124 H HA    . LYS   A 1 64  ? -20.132 0.543   -5.734  1.000 8.747  0 176 LYS   A HA    1 c 
ATOM   1125 H HB2   . LYS   A 1 64  ? -18.012 1.436   -4.851  1.000 9.498  0 176 LYS   A HB2   1 c 
ATOM   1126 H HB3   . LYS   A 1 64  ? -17.292 0.375   -5.777  1.000 9.511  0 176 LYS   A HB3   1 c 
ATOM   1127 H HG2   . LYS   A 1 64  ? -18.286 1.431   -7.678  1.000 10.602 0 176 LYS   A HG2   1 c 
ATOM   1128 H HG3   . LYS   A 1 64  ? -18.865 2.551   -6.704  1.000 10.624 0 176 LYS   A HG3   1 c 
ATOM   1129 H HD2   . LYS   A 1 64  ? -16.491 2.882   -6.047  1.000 12.493 0 176 LYS   A HD2   1 c 
ATOM   1130 H HD3   . LYS   A 1 64  ? -16.153 2.115   -7.387  1.000 12.489 0 176 LYS   A HD3   1 c 
ATOM   1131 H HE2   . LYS   A 1 64  ? -17.194 3.820   -8.620  1.000 14.271 0 176 LYS   A HE2   1 c 
ATOM   1132 H HE3   . LYS   A 1 64  ? -17.524 4.581   -7.276  1.000 14.275 0 176 LYS   A HE3   1 c 
ATOM   1133 H HZ1   . LYS   A 1 64  ? -14.977 4.063   -8.157  1.000 15.941 0 176 LYS   A HZ1   1 c 
ATOM   1134 H HZ2   . LYS   A 1 64  ? -15.282 4.771   -6.897  1.000 15.963 0 176 LYS   A HZ2   1 c 
ATOM   1135 H HZ3   . LYS   A 1 64  ? -15.614 5.395   -8.193  1.000 15.969 0 176 LYS   A HZ3   1 c 
ATOM   1136 N N     . LEU   A 1 65  ? -20.211 -1.132  -7.534  1.000 8.914  0 177 LEU   A N     1 ? 
ATOM   1137 C CA    . LEU   A 1 65  ? -20.301 -2.150  -8.576  1.000 9.146  0 177 LEU   A CA    1 ? 
ATOM   1138 C C     . LEU   A 1 65  ? -20.298 -1.462  -9.939  1.000 9.427  0 177 LEU   A C     1 ? 
ATOM   1139 O O     . LEU   A 1 65  ? -21.133 -0.592  -10.174 1.000 9.579  0 177 LEU   A O     1 ? 
ATOM   1140 C CB    . LEU   A 1 65  ? -21.577 -2.973  -8.406  1.000 9.834  0 177 LEU   A CB    1 ? 
ATOM   1141 C CG    . LEU   A 1 65  ? -21.753 -3.710  -7.077  1.000 10.246 0 177 LEU   A CG    1 ? 
ATOM   1142 C CD1   . LEU   A 1 65  ? -23.126 -4.361  -7.020  1.000 10.935 0 177 LEU   A CD1   1 ? 
ATOM   1143 C CD2   . LEU   A 1 65  ? -20.664 -4.742  -6.866  1.000 10.368 0 177 LEU   A CD2   1 ? 
ATOM   1144 H H     . LEU   A 1 65  ? -20.840 -0.469  -7.522  1.000 8.909  0 177 LEU   A H     1 c 
ATOM   1145 H HA    . LEU   A 1 65  ? -19.514 -2.744  -8.512  1.000 9.251  0 177 LEU   A HA    1 c 
ATOM   1146 H HB2   . LEU   A 1 65  ? -22.348 -2.371  -8.528  1.000 9.760  0 177 LEU   A HB2   1 c 
ATOM   1147 H HB3   . LEU   A 1 65  ? -21.611 -3.637  -9.133  1.000 9.764  0 177 LEU   A HB3   1 c 
ATOM   1148 H HG    . LEU   A 1 65  ? -21.694 -3.045  -6.345  1.000 10.274 0 177 LEU   A HG    1 c 
ATOM   1149 H HD11  . LEU   A 1 65  ? -23.813 -3.678  -7.102  1.000 10.812 0 177 LEU   A HD11  1 c 
ATOM   1150 H HD12  . LEU   A 1 65  ? -23.232 -4.823  -6.171  1.000 10.858 0 177 LEU   A HD12  1 c 
ATOM   1151 H HD13  . LEU   A 1 65  ? -23.216 -4.998  -7.748  1.000 10.839 0 177 LEU   A HD13  1 c 
ATOM   1152 H HD21  . LEU   A 1 65  ? -19.797 -4.303  -6.843  1.000 10.337 0 177 LEU   A HD21  1 c 
ATOM   1153 H HD22  . LEU   A 1 65  ? -20.681 -5.386  -7.594  1.000 10.358 0 177 LEU   A HD22  1 c 
ATOM   1154 H HD23  . LEU   A 1 65  ? -20.813 -5.204  -6.024  1.000 10.329 0 177 LEU   A HD23  1 c 
ATOM   1155 N N     . ASP   A 1 66  ? -19.365 -1.845  -10.821 1.000 9.814  0 178 ASP   A N     1 ? 
ATOM   1156 C CA    . ASP   A 1 66  ? -19.252 -1.238  -12.144 1.000 10.690 0 178 ASP   A CA    1 ? 
ATOM   1157 C C     . ASP   A 1 66  ? -19.201 0.287   -12.023 1.000 11.119 0 178 ASP   A C     1 ? 
ATOM   1158 O O     . ASP   A 1 66  ? -19.814 0.997   -12.818 1.000 11.771 0 178 ASP   A O     1 ? 
ATOM   1159 C CB    . ASP   A 1 66  ? -20.387 -1.695  -13.049 1.000 11.359 0 178 ASP   A CB    1 ? 
ATOM   1160 C CG    . ASP   A 1 66  ? -20.383 -3.175  -13.401 1.000 12.381 0 178 ASP   A CG    1 ? 
ATOM   1161 O OD1   . ASP   A 1 66  ? -19.299 -3.795  -13.344 1.000 12.817 0 178 ASP   A OD1   1 ? 
ATOM   1162 O OD2   . ASP   A 1 66  ? -21.467 -3.694  -13.725 1.000 14.727 0 178 ASP   A OD2   1 ? 
ATOM   1163 H H     . ASP   A 1 66  ? -18.780 -2.509  -10.592 1.000 9.836  0 178 ASP   A H     1 c 
ATOM   1164 H HA    . ASP   A 1 66  ? -18.409 -1.543  -12.548 1.000 10.703 0 178 ASP   A HA    1 c 
ATOM   1165 H HB2   . ASP   A 1 66  ? -21.245 -1.484  -12.625 1.000 11.373 0 178 ASP   A HB2   1 c 
ATOM   1166 H HB3   . ASP   A 1 66  ? -20.340 -1.193  -13.890 1.000 11.390 0 178 ASP   A HB3   1 c 
ATOM   1167 N N     . ASN   A 1 67  ? -18.467 0.772   -11.010 1.000 11.379 0 179 ASN   A N     1 ? 
ATOM   1168 C CA    . ASN   A 1 67  ? -18.211 2.191   -10.768 1.000 12.413 0 179 ASN   A CA    1 ? 
ATOM   1169 C C     . ASN   A 1 67  ? -19.445 2.938   -10.253 1.000 12.630 0 179 ASN   A C     1 ? 
ATOM   1170 O O     . ASN   A 1 67  ? -19.420 4.168   -10.213 1.000 15.387 0 179 ASN   A O     1 ? 
ATOM   1171 C CB    . ASN   A 1 67  ? -17.585 2.870   -11.987 1.000 12.954 0 179 ASN   A CB    1 ? 
ATOM   1172 C CG    . ASN   A 1 67  ? -16.208 3.425   -11.711 1.000 13.885 0 179 ASN   A CG    1 ? 
ATOM   1173 O OD1   . ASN   A 1 67  ? -15.457 2.872   -10.901 1.000 14.216 0 179 ASN   A OD1   1 ? 
ATOM   1174 N ND2   . ASN   A 1 67  ? -15.870 4.536   -12.349 1.000 14.834 0 179 ASN   A ND2   1 ? 
ATOM   1175 H H     . ASN   A 1 67  ? -18.089 0.170   -10.436 1.000 11.443 0 179 ASN   A H     1 c 
ATOM   1176 H HA    . ASN   A 1 67  ? -17.540 2.235   -10.052 1.000 12.379 0 179 ASN   A HA    1 c 
ATOM   1177 H HB2   . ASN   A 1 67  ? -17.521 2.222   -12.716 1.000 12.977 0 179 ASN   A HB2   1 c 
ATOM   1178 H HB3   . ASN   A 1 67  ? -18.168 3.596   -12.284 1.000 13.083 0 179 ASN   A HB3   1 c 
ATOM   1179 H HD21  . ASN   A 1 67  ? -16.428 4.906   -12.930 1.000 14.614 0 179 ASN   A HD21  1 c 
ATOM   1180 H HD22  . ASN   A 1 67  ? -15.080 4.910   -12.194 1.000 14.588 0 179 ASN   A HD22  1 c 
ATOM   1181 N N     . ASN   A 1 68  ? -20.490 2.215   -9.812  1.000 12.122 0 180 ASN   A N     1 ? 
ATOM   1182 C CA    . ASN   A 1 68  ? -21.705 2.809   -9.259  1.000 12.288 0 180 ASN   A CA    1 ? 
ATOM   1183 C C     . ASN   A 1 68  ? -21.810 2.493   -7.768  1.000 11.278 0 180 ASN   A C     1 ? 
ATOM   1184 O O     . ASN   A 1 68  ? -21.797 1.322   -7.394  1.000 10.702 0 180 ASN   A O     1 ? 
ATOM   1185 C CB    . ASN   A 1 68  ? -22.973 2.301   -9.944  1.000 14.250 0 180 ASN   A CB    1 ? 
ATOM   1186 C CG    . ASN   A 1 68  ? -22.982 2.550   -11.435 1.000 16.136 0 180 ASN   A CG    1 ? 
ATOM   1187 O OD1   . ASN   A 1 68  ? -23.270 1.641   -12.222 1.000 18.731 0 180 ASN   A OD1   1 ? 
ATOM   1188 N ND2   . ASN   A 1 68  ? -22.686 3.772   -11.847 1.000 17.035 0 180 ASN   A ND2   1 ? 
ATOM   1189 H H     . ASN   A 1 68  ? -20.435 1.305   -9.848  1.000 12.193 0 180 ASN   A H     1 c 
ATOM   1190 H HA    . ASN   A 1 68  ? -21.666 3.784   -9.379  1.000 12.365 0 180 ASN   A HA    1 c 
ATOM   1191 H HB2   . ASN   A 1 68  ? -23.059 1.340   -9.784  1.000 14.090 0 180 ASN   A HB2   1 c 
ATOM   1192 H HB3   . ASN   A 1 68  ? -23.750 2.742   -9.545  1.000 14.088 0 180 ASN   A HB3   1 c 
ATOM   1193 H HD21  . ASN   A 1 68  ? -22.705 4.453   -11.276 1.000 16.789 0 180 ASN   A HD21  1 c 
ATOM   1194 H HD22  . ASN   A 1 68  ? -22.473 3.911   -12.698 1.000 16.826 0 180 ASN   A HD22  1 c 
ATOM   1195 N N     . TRP   A 1 69  ? -21.964 3.532   -6.937  1.000 10.638 0 181 TRP   A N     1 ? 
ATOM   1196 C CA    . TRP   A 1 69  ? -22.196 3.347   -5.511  1.000 10.421 0 181 TRP   A CA    1 ? 
ATOM   1197 C C     . TRP   A 1 69  ? -23.622 2.866   -5.278  1.000 10.324 0 181 TRP   A C     1 ? 
ATOM   1198 O O     . TRP   A 1 69  ? -24.554 3.326   -5.941  1.000 11.419 0 181 TRP   A O     1 ? 
ATOM   1199 C CB    . TRP   A 1 69  ? -21.921 4.640   -4.736  1.000 10.432 0 181 TRP   A CB    1 ? 
ATOM   1200 C CG    . TRP   A 1 69  ? -20.457 4.960   -4.642  1.000 10.302 0 181 TRP   A CG    1 ? 
ATOM   1201 C CD1   . TRP   A 1 69  ? -19.774 5.929   -5.311  1.000 10.675 0 181 TRP   A CD1   1 ? 
ATOM   1202 C CD2   . TRP   A 1 69  ? -19.480 4.249   -3.856  1.000 10.061 0 181 TRP   A CD2   1 ? 
ATOM   1203 N NE1   . TRP   A 1 69  ? -18.450 5.894   -4.972  1.000 10.837 0 181 TRP   A NE1   1 ? 
ATOM   1204 C CE2   . TRP   A 1 69  ? -18.235 4.869   -4.091  1.000 10.510 0 181 TRP   A CE2   1 ? 
ATOM   1205 C CE3   . TRP   A 1 69  ? -19.541 3.159   -2.982  1.000 10.253 0 181 TRP   A CE3   1 ? 
ATOM   1206 C CZ2   . TRP   A 1 69  ? -17.061 4.431   -3.484  1.000 10.312 0 181 TRP   A CZ2   1 ? 
ATOM   1207 C CZ3   . TRP   A 1 69  ? -18.378 2.722   -2.389  1.000 10.174 0 181 TRP   A CZ3   1 ? 
ATOM   1208 C CH2   . TRP   A 1 69  ? -17.156 3.347   -2.642  1.000 10.127 0 181 TRP   A CH2   1 ? 
ATOM   1209 H H     . TRP   A 1 69  ? -21.923 4.382   -7.270  1.000 10.713 0 181 TRP   A H     1 c 
ATOM   1210 H HA    . TRP   A 1 69  ? -21.567 2.650   -5.181  1.000 10.443 0 181 TRP   A HA    1 c 
ATOM   1211 H HB2   . TRP   A 1 69  ? -22.383 5.380   -5.184  1.000 10.399 0 181 TRP   A HB2   1 c 
ATOM   1212 H HB3   . TRP   A 1 69  ? -22.287 4.548   -3.830  1.000 10.417 0 181 TRP   A HB3   1 c 
ATOM   1213 H HD1   . TRP   A 1 69  ? -20.156 6.558   -5.903  1.000 10.623 0 181 TRP   A HD1   1 c 
ATOM   1214 H HE1   . TRP   A 1 69  ? -17.836 6.431   -5.283  1.000 10.716 0 181 TRP   A HE1   1 c 
ATOM   1215 H HE3   . TRP   A 1 69  ? -20.361 2.727   -2.811  1.000 10.203 0 181 TRP   A HE3   1 c 
ATOM   1216 H HZ2   . TRP   A 1 69  ? -16.235 4.850   -3.656  1.000 10.307 0 181 TRP   A HZ2   1 c 
ATOM   1217 H HZ3   . TRP   A 1 69  ? -18.407 1.987   -1.798  1.000 10.166 0 181 TRP   A HZ3   1 c 
ATOM   1218 H HH2   . TRP   A 1 69  ? -16.380 3.030   -2.214  1.000 10.180 0 181 TRP   A HH2   1 c 
ATOM   1219 N N     . GLY   A 1 70  ? -23.769 1.943   -4.323  1.000 9.771  0 182 GLY   A N     1 ? 
ATOM   1220 C CA    . GLY   A 1 70  ? -25.068 1.400   -3.961  1.000 9.698  0 182 GLY   A CA    1 ? 
ATOM   1221 C C     . GLY   A 1 70  ? -25.710 2.190   -2.822  1.000 9.524  0 182 GLY   A C     1 ? 
ATOM   1222 O O     . GLY   A 1 70  ? -25.425 3.374   -2.638  1.000 9.339  0 182 GLY   A O     1 ? 
ATOM   1223 H H     . GLY   A 1 70  ? -23.030 1.640   -3.880  1.000 9.869  0 182 GLY   A H     1 c 
ATOM   1224 H HA2   . GLY   A 1 70  ? -25.660 1.417   -4.750  1.000 9.694  0 182 GLY   A HA2   1 c 
ATOM   1225 H HA3   . GLY   A 1 70  ? -24.957 0.460   -3.687  1.000 9.678  0 182 GLY   A HA3   1 c 
ATOM   1226 N N     . ARG   A 1 71  ? -26.577 1.517   -2.062  1.000 9.685  0 183 ARG   A N     1 ? 
ATOM   1227 C CA    . ARG   A 1 71  ? -27.279 2.123   -0.940  1.000 9.830  0 183 ARG   A CA    1 ? 
ATOM   1228 C C     . ARG   A 1 71  ? -26.338 2.249   0.259   1.000 9.330  0 183 ARG   A C     1 ? 
ATOM   1229 O O     . ARG   A 1 71  ? -25.739 1.264   0.681   1.000 9.357  0 183 ARG   A O     1 ? 
ATOM   1230 C CB    . ARG   A 1 71  ? -28.474 1.228   -0.603  1.000 10.967 0 183 ARG   A CB    1 ? 
ATOM   1231 C CG    . ARG   A 1 71  ? -29.339 1.716   0.550   1.000 12.042 0 183 ARG   A CG    1 ? 
ATOM   1232 C CD    . ARG   A 1 71  ? -30.001 3.054   0.266   1.000 12.865 0 183 ARG   A CD    1 ? 
ATOM   1233 N NE    . ARG   A 1 71  ? -30.766 3.019   -0.987  1.000 14.355 0 183 ARG   A NE    1 ? 
ATOM   1234 C CZ    . ARG   A 1 71  ? -30.590 3.793   -2.060  1.000 15.399 0 183 ARG   A CZ    1 ? 
ATOM   1235 N NH1   . ARG   A 1 71  ? -31.338 3.599   -3.133  1.000 16.569 0 183 ARG   A NH1   1 ? 
ATOM   1236 N NH2   . ARG   A 1 71  ? -29.672 4.746   -2.080  1.000 15.321 0 183 ARG   A NH2   1 ? 
ATOM   1237 H H     . ARG   A 1 71  ? -26.738 0.638   -2.254  1.000 9.688  0 183 ARG   A H     1 c 
ATOM   1238 H HA    . ARG   A 1 71  ? -27.594 3.022   -1.209  1.000 9.873  0 183 ARG   A HA    1 c 
ATOM   1239 H HB2   . ARG   A 1 71  ? -29.036 1.144   -1.403  1.000 10.903 0 183 ARG   A HB2   1 c 
ATOM   1240 H HB3   . ARG   A 1 71  ? -28.139 0.332   -0.383  1.000 10.881 0 183 ARG   A HB3   1 c 
ATOM   1241 H HG2   . ARG   A 1 71  ? -30.036 1.049   0.733   1.000 11.958 0 183 ARG   A HG2   1 c 
ATOM   1242 H HG3   . ARG   A 1 71  ? -28.786 1.800   1.357   1.000 11.981 0 183 ARG   A HG3   1 c 
ATOM   1243 H HD2   . ARG   A 1 71  ? -30.603 3.279   1.004   1.000 12.893 0 183 ARG   A HD2   1 c 
ATOM   1244 H HD3   . ARG   A 1 71  ? -29.317 3.746   0.216   1.000 12.910 0 183 ARG   A HD3   1 c 
ATOM   1245 H HE    . ARG   A 1 71  ? -31.405 2.429   -1.038  1.000 14.224 0 183 ARG   A HE    1 c 
ATOM   1246 H HH11  . ARG   A 1 71  ? -31.224 4.106   -3.848  1.000 16.365 0 183 ARG   A HH11  1 c 
ATOM   1247 H HH12  . ARG   A 1 71  ? -31.954 2.964   -3.134  1.000 16.314 0 183 ARG   A HH12  1 c 
ATOM   1248 H HH21  . ARG   A 1 71  ? -29.610 5.278   -2.783  1.000 15.292 0 183 ARG   A HH21  1 c 
ATOM   1249 H HH22  . ARG   A 1 71  ? -29.122 4.852   -1.401  1.000 15.249 0 183 ARG   A HH22  1 c 
ATOM   1250 N N     . GLU   A 1 72  ? -26.237 3.455   0.827   1.000 9.018  0 184 GLU   A N     1 ? 
ATOM   1251 C CA    . GLU   A 1 72  ? -25.384 3.674   1.989   1.000 9.059  0 184 GLU   A CA    1 ? 
ATOM   1252 C C     . GLU   A 1 72  ? -26.004 3.088   3.257   1.000 9.252  0 184 GLU   A C     1 ? 
ATOM   1253 O O     . GLU   A 1 72  ? -27.219 3.133   3.439   1.000 10.203 0 184 GLU   A O     1 ? 
ATOM   1254 C CB    . GLU   A 1 72  ? -25.139 5.163   2.228   1.000 9.207  0 184 GLU   A CB    1 ? 
ATOM   1255 C CG    . GLU   A 1 72  ? -24.253 5.776   1.154   1.000 9.279  0 184 GLU   A CG    1 ? 
ATOM   1256 C CD    . GLU   A 1 72  ? -24.031 7.272   1.260   1.000 9.534  0 184 GLU   A CD    1 ? 
ATOM   1257 O OE1   . GLU   A 1 72  ? -24.704 7.926   2.090   1.000 10.269 0 184 GLU   A OE1   1 ? 
ATOM   1258 O OE2   . GLU   A 1 72  ? -23.172 7.769   0.494   1.000 9.480  0 184 GLU   A OE2   1 ? 
ATOM   1259 H H     . GLU   A 1 72  ? -26.708 4.159   0.484   1.000 9.086  0 184 GLU   A H     1 c 
ATOM   1260 H HA    . GLU   A 1 72  ? -24.513 3.232   1.824   1.000 9.099  0 184 GLU   A HA    1 c 
ATOM   1261 H HB2   . GLU   A 1 72  ? -25.997 5.626   2.241   1.000 9.246  0 184 GLU   A HB2   1 c 
ATOM   1262 H HB3   . GLU   A 1 72  ? -24.718 5.282   3.105   1.000 9.197  0 184 GLU   A HB3   1 c 
ATOM   1263 H HG2   . GLU   A 1 72  ? -23.377 5.335   1.180   1.000 9.311  0 184 GLU   A HG2   1 c 
ATOM   1264 H HG3   . GLU   A 1 72  ? -24.647 5.587   0.277   1.000 9.310  0 184 GLU   A HG3   1 c 
ATOM   1265 N N     . GLU   A 1 73  ? -25.137 2.541   4.118   1.000 9.031  0 185 GLU   A N     1 ? 
ATOM   1266 C CA    . GLU   A 1 73  ? -25.467 2.189   5.495   1.000 9.257  0 185 GLU   A CA    1 ? 
ATOM   1267 C C     . GLU   A 1 73  ? -24.705 3.136   6.423   1.000 9.819  0 185 GLU   A C     1 ? 
ATOM   1268 O O     . GLU   A 1 73  ? -23.484 3.236   6.315   1.000 10.136 0 185 GLU   A O     1 ? 
ATOM   1269 C CB    . GLU   A 1 73  ? -25.092 0.733   5.779   1.000 9.593  0 185 GLU   A CB    1 ? 
ATOM   1270 C CG    . GLU   A 1 73  ? -25.868 -0.255  4.915   1.000 10.160 0 185 GLU   A CG    1 ? 
ATOM   1271 C CD    . GLU   A 1 73  ? -25.561 -1.719  5.156   1.000 10.730 0 185 GLU   A CD    1 ? 
ATOM   1272 O OE1   . GLU   A 1 73  ? -25.320 -2.099  6.320   1.000 11.314 0 185 GLU   A OE1   1 ? 
ATOM   1273 O OE2   . GLU   A 1 73  ? -25.606 -2.486  4.176   1.000 10.970 0 185 GLU   A OE2   1 ? 
ATOM   1274 H H     . GLU   A 1 73  ? -24.288 2.374   3.824   1.000 9.091  0 185 GLU   A H     1 c 
ATOM   1275 H HA    . GLU   A 1 73  ? -26.440 2.310   5.633   1.000 9.359  0 185 GLU   A HA    1 c 
ATOM   1276 H HB2   . GLU   A 1 73  ? -24.132 0.616   5.620   1.000 9.610  0 185 GLU   A HB2   1 c 
ATOM   1277 H HB3   . GLU   A 1 73  ? -25.265 0.540   6.724   1.000 9.602  0 185 GLU   A HB3   1 c 
ATOM   1278 H HG2   . GLU   A 1 73  ? -26.827 -0.115  5.062   1.000 10.157 0 185 GLU   A HG2   1 c 
ATOM   1279 H HG3   . GLU   A 1 73  ? -25.687 -0.057  3.971   1.000 10.172 0 185 GLU   A HG3   1 c 
ATOM   1280 N N     . ARG   A 1 74  ? -25.425 3.836   7.313   1.000 10.317 0 186 ARG   A N     1 ? 
ATOM   1281 C CA    . ARG   A 1 74  ? -24.844 4.901   8.130   1.000 11.297 0 186 ARG   A CA    1 ? 
ATOM   1282 C C     . ARG   A 1 74  ? -24.930 4.565   9.619   1.000 12.363 0 186 ARG   A C     1 ? 
ATOM   1283 O O     . ARG   A 1 74  ? -25.931 4.007   10.057  1.000 13.499 0 186 ARG   A O     1 ? 
ATOM   1284 C CB    . ARG   A 1 74  ? -25.539 6.225   7.795   1.000 11.604 0 186 ARG   A CB    1 ? 
ATOM   1285 C CG    . ARG   A 1 74  ? -25.067 6.790   6.463   1.000 11.721 0 186 ARG   A CG    1 ? 
ATOM   1286 C CD    . ARG   A 1 74  ? -26.049 7.771   5.846   1.000 11.866 0 186 ARG   A CD    1 ? 
ATOM   1287 N NE    . ARG   A 1 74  ? -25.405 8.535   4.773   1.000 11.907 0 186 ARG   A NE    1 ? 
ATOM   1288 C CZ    . ARG   A 1 74  ? -24.668 9.628   4.935   1.000 11.970 0 186 ARG   A CZ    1 ? 
ATOM   1289 N NH1   . ARG   A 1 74  ? -24.584 10.222  6.114   1.000 12.423 0 186 ARG   A NH1   1 ? 
ATOM   1290 N NH2   . ARG   A 1 74  ? -24.028 10.139  3.898   1.000 11.886 0 186 ARG   A NH2   1 ? 
ATOM   1291 H H     . ARG   A 1 74  ? -26.311 3.640   7.417   1.000 10.345 0 186 ARG   A H     1 c 
ATOM   1292 H HA    . ARG   A 1 74  ? -23.891 4.991   7.887   1.000 11.291 0 186 ARG   A HA    1 c 
ATOM   1293 H HB2   . ARG   A 1 74  ? -26.509 6.082   7.759   1.000 11.569 0 186 ARG   A HB2   1 c 
ATOM   1294 H HB3   . ARG   A 1 74  ? -25.354 6.877   8.504   1.000 11.571 0 186 ARG   A HB3   1 c 
ATOM   1295 H HG2   . ARG   A 1 74  ? -24.207 7.244   6.594   1.000 11.709 0 186 ARG   A HG2   1 c 
ATOM   1296 H HG3   . ARG   A 1 74  ? -24.922 6.050   5.833   1.000 11.712 0 186 ARG   A HG3   1 c 
ATOM   1297 H HD2   . ARG   A 1 74  ? -26.812 7.279   5.480   1.000 11.850 0 186 ARG   A HD2   1 c 
ATOM   1298 H HD3   . ARG   A 1 74  ? -26.384 8.382   6.531   1.000 11.883 0 186 ARG   A HD3   1 c 
ATOM   1299 H HE    . ARG   A 1 74  ? -25.513 8.246   3.959   1.000 11.910 0 186 ARG   A HE    1 c 
ATOM   1300 H HH11  . ARG   A 1 74  ? -24.152 10.988  6.188   1.000 12.328 0 186 ARG   A HH11  1 c 
ATOM   1301 H HH12  . ARG   A 1 74  ? -24.951 9.860   6.830   1.000 12.332 0 186 ARG   A HH12  1 c 
ATOM   1302 H HH21  . ARG   A 1 74  ? -23.559 10.882  3.990   1.000 11.918 0 186 ARG   A HH21  1 c 
ATOM   1303 H HH22  . ARG   A 1 74  ? -24.070 9.738   3.111   1.000 11.913 0 186 ARG   A HH22  1 c 
ATOM   1304 N N     . GLN   A 1 75  ? -23.868 4.934   10.358  1.000 12.990 0 187 GLN   A N     1 ? 
ATOM   1305 C CA    . GLN   A 1 75  ? -23.703 4.715   11.795  1.000 13.778 0 187 GLN   A CA    1 ? 
ATOM   1306 C C     . GLN   A 1 75  ? -23.195 6.016   12.424  1.000 13.688 0 187 GLN   A C     1 ? 
ATOM   1307 O O     . GLN   A 1 75  ? -22.148 6.523   12.013  1.000 14.206 0 187 GLN   A O     1 ? 
ATOM   1308 C CB    . GLN   A 1 75  ? -22.724 3.547   11.979  1.000 14.915 0 187 GLN   A CB    1 ? 
ATOM   1309 C CG    . GLN   A 1 75  ? -22.157 3.352   13.384  1.000 16.229 0 187 GLN   A CG    1 ? 
ATOM   1310 C CD    . GLN   A 1 75  ? -23.189 2.974   14.421  1.000 17.686 0 187 GLN   A CD    1 ? 
ATOM   1311 O OE1   . GLN   A 1 75  ? -24.002 3.800   14.846  1.000 19.196 0 187 GLN   A OE1   1 ? 
ATOM   1312 N NE2   . GLN   A 1 75  ? -23.133 1.733   14.884  1.000 19.494 0 187 GLN   A NE2   1 ? 
ATOM   1313 H H     . GLN   A 1 75  ? -23.191 5.363   9.920   1.000 12.972 0 187 GLN   A H     1 c 
ATOM   1314 H HA    . GLN   A 1 75  ? -24.582 4.481   12.187  1.000 13.793 0 187 GLN   A HA    1 c 
ATOM   1315 H HB2   . GLN   A 1 75  ? -23.181 2.722   11.714  1.000 14.860 0 187 GLN   A HB2   1 c 
ATOM   1316 H HB3   . GLN   A 1 75  ? -21.977 3.676   11.360  1.000 14.805 0 187 GLN   A HB3   1 c 
ATOM   1317 H HG2   . GLN   A 1 75  ? -21.470 2.652   13.356  1.000 16.220 0 187 GLN   A HG2   1 c 
ATOM   1318 H HG3   . GLN   A 1 75  ? -21.718 4.180   13.671  1.000 16.172 0 187 GLN   A HG3   1 c 
ATOM   1319 H HE21  . GLN   A 1 75  ? -22.518 1.169   14.584  1.000 19.070 0 187 GLN   A HE21  1 c 
ATOM   1320 H HE22  . GLN   A 1 75  ? -23.715 1.466   15.498  1.000 19.148 0 187 GLN   A HE22  1 c 
ATOM   1321 N N     . SER   A 1 76  ? -23.927 6.558   13.412  1.000 13.390 0 188 SER   A N     1 ? 
ATOM   1322 C CA    . SER   A 1 76  ? -23.529 7.794   14.081  1.000 13.170 0 188 SER   A CA    1 ? 
ATOM   1323 C C     . SER   A 1 76  ? -22.556 7.519   15.227  1.000 12.756 0 188 SER   A C     1 ? 
ATOM   1324 O O     . SER   A 1 76  ? -21.829 8.424   15.634  1.000 13.504 0 188 SER   A O     1 ? 
ATOM   1325 C CB    . SER   A 1 76  ? -24.715 8.580   14.580  1.000 13.525 0 188 SER   A CB    1 ? 
ATOM   1326 O OG    . SER   A 1 76  ? -25.437 9.131   13.490  1.000 14.522 0 188 SER   A OG    1 ? 
ATOM   1327 H H     . SER   A 1 76  ? -24.700 6.146   13.674  1.000 13.394 0 188 SER   A H     1 c 
ATOM   1328 H HA    . SER   A 1 76  ? -23.056 8.357   13.416  1.000 13.203 0 188 SER   A HA    1 c 
ATOM   1329 H HB2   . SER   A 1 76  ? -25.299 7.994   15.097  1.000 13.610 0 188 SER   A HB2   1 c 
ATOM   1330 H HB3   . SER   A 1 76  ? -24.406 9.300   15.163  1.000 13.625 0 188 SER   A HB3   1 c 
ATOM   1331 H HG    . SER   A 1 76  ? -26.091 9.580   13.790  0.000 15.620 0 188 SER   A HG    1 c 
ATOM   1332 N N     . VAL   A 1 77  ? -22.536 6.290   15.759  1.000 12.452 0 189 VAL   A N     1 ? 
ATOM   1333 C CA    . VAL   A 1 77  ? -21.503 5.932   16.724  1.000 12.303 0 189 VAL   A CA    1 ? 
ATOM   1334 C C     . VAL   A 1 77  ? -20.166 6.102   16.006  1.000 11.423 0 189 VAL   A C     1 ? 
ATOM   1335 O O     . VAL   A 1 77  ? -19.945 5.510   14.951  1.000 11.856 0 189 VAL   A O     1 ? 
ATOM   1336 C CB    . VAL   A 1 77  ? -21.661 4.524   17.327  1.000 13.461 0 189 VAL   A CB    1 ? 
ATOM   1337 C CG1   . VAL   A 1 77  ? -20.465 4.128   18.187  1.000 13.833 0 189 VAL   A CG1   1 ? 
ATOM   1338 C CG2   . VAL   A 1 77  ? -22.946 4.408   18.139  1.000 14.397 0 189 VAL   A CG2   1 ? 
ATOM   1339 H H     . VAL   A 1 77  ? -23.168 5.672   15.529  1.000 12.504 0 189 VAL   A H     1 c 
ATOM   1340 H HA    . VAL   A 1 77  ? -21.543 6.576   17.458  1.000 12.320 0 189 VAL   A HA    1 c 
ATOM   1341 H HB    . VAL   A 1 77  ? -21.717 3.889   16.576  1.000 13.423 0 189 VAL   A HB    1 c 
ATOM   1342 H HG11  . VAL   A 1 77  ? -20.350 4.776   18.902  1.000 13.788 0 189 VAL   A HG11  1 c 
ATOM   1343 H HG12  . VAL   A 1 77  ? -19.662 4.102   17.641  1.000 13.765 0 189 VAL   A HG12  1 c 
ATOM   1344 H HG13  . VAL   A 1 77  ? -20.620 3.248   18.572  1.000 13.765 0 189 VAL   A HG13  1 c 
ATOM   1345 H HG21  . VAL   A 1 77  ? -23.023 3.508   18.499  1.000 14.220 0 189 VAL   A HG21  1 c 
ATOM   1346 H HG22  . VAL   A 1 77  ? -23.709 4.594   17.568  1.000 14.216 0 189 VAL   A HG22  1 c 
ATOM   1347 H HG23  . VAL   A 1 77  ? -22.926 5.047   18.871  1.000 14.265 0 189 VAL   A HG23  1 c 
ATOM   1348 N N     . PHE   A 1 78  ? -19.304 6.959   16.560  1.000 11.079 0 190 PHE   A N     1 ? 
ATOM   1349 C CA    . PHE   A 1 78  ? -18.126 7.445   15.857  1.000 10.616 0 190 PHE   A CA    1 ? 
ATOM   1350 C C     . PHE   A 1 78  ? -16.937 7.385   16.807  1.000 10.995 0 190 PHE   A C     1 ? 
ATOM   1351 O O     . PHE   A 1 78  ? -16.725 8.294   17.611  1.000 11.834 0 190 PHE   A O     1 ? 
ATOM   1352 C CB    . PHE   A 1 78  ? -18.358 8.865   15.345  1.000 10.128 0 190 PHE   A CB    1 ? 
ATOM   1353 C CG    . PHE   A 1 78  ? -17.296 9.311   14.357  1.000 9.649  0 190 PHE   A CG    1 ? 
ATOM   1354 C CD1   . PHE   A 1 78  ? -16.102 9.874   14.792  1.000 9.598  0 190 PHE   A CD1   1 ? 
ATOM   1355 C CD2   . PHE   A 1 78  ? -17.494 9.152   12.989  1.000 9.496  0 190 PHE   A CD2   1 ? 
ATOM   1356 C CE1   . PHE   A 1 78  ? -15.141 10.280  13.878  1.000 9.421  0 190 PHE   A CE1   1 ? 
ATOM   1357 C CE2   . PHE   A 1 78  ? -16.532 9.565   12.084  1.000 9.341  0 190 PHE   A CE2   1 ? 
ATOM   1358 C CZ    . PHE   A 1 78  ? -15.361 10.130  12.527  1.000 9.357  0 190 PHE   A CZ    1 ? 
ATOM   1359 H H     . PHE   A 1 78  ? -19.455 7.250   17.413  1.000 11.076 0 190 PHE   A H     1 c 
ATOM   1360 H HA    . PHE   A 1 78  ? -17.949 6.856   15.079  1.000 10.655 0 190 PHE   A HA    1 c 
ATOM   1361 H HB2   . PHE   A 1 78  ? -19.239 8.902   14.909  1.000 10.114 0 190 PHE   A HB2   1 c 
ATOM   1362 H HB3   . PHE   A 1 78  ? -18.369 9.482   16.110  1.000 10.136 0 190 PHE   A HB3   1 c 
ATOM   1363 H HD1   . PHE   A 1 78  ? -15.948 9.987   15.716  1.000 9.603  0 190 PHE   A HD1   1 c 
ATOM   1364 H HD2   . PHE   A 1 78  ? -18.300 8.772   12.676  1.000 9.493  0 190 PHE   A HD2   1 c 
ATOM   1365 H HE1   . PHE   A 1 78  ? -14.336 10.665  14.184  1.000 9.434  0 190 PHE   A HE1   1 c 
ATOM   1366 H HE2   . PHE   A 1 78  ? -16.682 9.457   11.158  1.000 9.372  0 190 PHE   A HE2   1 c 
ATOM   1367 H HZ    . PHE   A 1 78  ? -14.703 10.402  11.908  1.000 9.361  0 190 PHE   A HZ    1 c 
ATOM   1368 N N     . PRO   A 1 79  ? -16.162 6.280   16.772  1.000 11.160 0 191 PRO   A N     1 ? 
ATOM   1369 C CA    . PRO   A 1 79  ? -15.126 6.052   17.781  1.000 11.523 0 191 PRO   A CA    1 ? 
ATOM   1370 C C     . PRO   A 1 79  ? -13.791 6.764   17.583  1.000 11.405 0 191 PRO   A C     1 ? 
ATOM   1371 O O     . PRO   A 1 79  ? -12.931 6.697   18.459  1.000 13.560 0 191 PRO   A O     1 ? 
ATOM   1372 C CB    . PRO   A 1 79  ? -14.955 4.525   17.708  1.000 12.158 0 191 PRO   A CB    1 ? 
ATOM   1373 C CG    . PRO   A 1 79  ? -15.245 4.188   16.268  1.000 12.226 0 191 PRO   A CG    1 ? 
ATOM   1374 C CD    . PRO   A 1 79  ? -16.344 5.145   15.856  1.000 11.661 0 191 PRO   A CD    1 ? 
ATOM   1375 H HA    . PRO   A 1 79  ? -15.494 6.295   18.667  1.000 11.524 0 191 PRO   A HA    1 c 
ATOM   1376 H HB2   . PRO   A 1 79  ? -14.036 4.261   17.952  1.000 12.072 0 191 PRO   A HB2   1 c 
ATOM   1377 H HB3   . PRO   A 1 79  ? -15.589 4.071   18.311  1.000 12.092 0 191 PRO   A HB3   1 c 
ATOM   1378 H HG2   . PRO   A 1 79  ? -14.449 4.316   15.712  1.000 12.133 0 191 PRO   A HG2   1 c 
ATOM   1379 H HG3   . PRO   A 1 79  ? -15.545 3.259   16.181  1.000 12.122 0 191 PRO   A HG3   1 c 
ATOM   1380 H HD2   . PRO   A 1 79  ? -16.235 5.422   14.920  1.000 11.648 0 191 PRO   A HD2   1 c 
ATOM   1381 H HD3   . PRO   A 1 79  ? -17.230 4.735   15.971  1.000 11.649 0 191 PRO   A HD3   1 c 
ATOM   1382 N N     . PHE   A 1 80  ? -13.629 7.450   16.447  1.000 10.643 0 192 PHE   A N     1 ? 
ATOM   1383 C CA    . PHE   A 1 80  ? -12.362 8.083   16.113  1.000 10.182 0 192 PHE   A CA    1 ? 
ATOM   1384 C C     . PHE   A 1 80  ? -12.310 9.478   16.718  1.000 10.451 0 192 PHE   A C     1 ? 
ATOM   1385 O O     . PHE   A 1 80  ? -13.330 10.154  16.827  1.000 11.471 0 192 PHE   A O     1 ? 
ATOM   1386 C CB    . PHE   A 1 80  ? -12.158 8.182   14.602  1.000 10.019 0 192 PHE   A CB    1 ? 
ATOM   1387 C CG    . PHE   A 1 80  ? -12.188 6.829   13.918  1.000 9.460  0 192 PHE   A CG    1 ? 
ATOM   1388 C CD1   . PHE   A 1 80  ? -11.047 6.042   13.838  1.000 9.572  0 192 PHE   A CD1   1 ? 
ATOM   1389 C CD2   . PHE   A 1 80  ? -13.368 6.341   13.379  1.000 9.591  0 192 PHE   A CD2   1 ? 
ATOM   1390 C CE1   . PHE   A 1 80  ? -11.085 4.802   13.226  1.000 9.535  0 192 PHE   A CE1   1 ? 
ATOM   1391 C CE2   . PHE   A 1 80  ? -13.401 5.101   12.763  1.000 9.626  0 192 PHE   A CE2   1 ? 
ATOM   1392 C CZ    . PHE   A 1 80  ? -12.263 4.334   12.690  1.000 9.359  0 192 PHE   A CZ    1 ? 
ATOM   1393 H H     . PHE   A 1 80  ? -14.326 7.526   15.861  1.000 10.700 0 192 PHE   A H     1 c 
ATOM   1394 H HA    . PHE   A 1 80  ? -11.624 7.539   16.497  1.000 10.261 0 192 PHE   A HA    1 c 
ATOM   1395 H HB2   . PHE   A 1 80  ? -12.865 8.750   14.225  1.000 9.942  0 192 PHE   A HB2   1 c 
ATOM   1396 H HB3   . PHE   A 1 80  ? -11.292 8.613   14.428  1.000 9.945  0 192 PHE   A HB3   1 c 
ATOM   1397 H HD1   . PHE   A 1 80  ? -10.237 6.358   14.208  1.000 9.542  0 192 PHE   A HD1   1 c 
ATOM   1398 H HD2   . PHE   A 1 80  ? -14.154 6.862   13.428  1.000 9.558  0 192 PHE   A HD2   1 c 
ATOM   1399 H HE1   . PHE   A 1 80  ? -10.301 4.279   13.174  1.000 9.504  0 192 PHE   A HE1   1 c 
ATOM   1400 H HE2   . PHE   A 1 80  ? -14.210 4.781   12.396  1.000 9.576  0 192 PHE   A HE2   1 c 
ATOM   1401 H HZ    . PHE   A 1 80  ? -12.288 3.490   12.268  1.000 9.429  0 192 PHE   A HZ    1 c 
ATOM   1402 N N     . GLU   A 1 81  ? -11.099 9.887   17.095  1.000 10.351 0 193 GLU   A N     1 ? 
ATOM   1403 C CA    . GLU   A 1 81  ? -10.843 11.230  17.592  1.000 10.479 0 193 GLU   A CA    1 ? 
ATOM   1404 C C     . GLU   A 1 81  ? -9.607  11.766  16.874  1.000 10.582 0 193 GLU   A C     1 ? 
ATOM   1405 O O     . GLU   A 1 81  ? -8.611  11.055  16.728  1.000 10.576 0 193 GLU   A O     1 ? 
ATOM   1406 C CB    . GLU   A 1 81  ? -10.660 11.220  19.111  1.000 10.782 0 193 GLU   A CB    1 ? 
ATOM   1407 C CG    . GLU   A 1 81  ? -11.919 10.814  19.873  1.000 11.957 0 193 GLU   A CG    1 ? 
ATOM   1408 C CD    . GLU   A 1 81  ? -13.098 11.766  19.749  1.000 13.025 0 193 GLU   A CD    1 ? 
ATOM   1409 O OE1   . GLU   A 1 81  ? -14.251 11.297  19.865  1.000 14.626 0 193 GLU   A OE1   1 ? 
ATOM   1410 O OE2   . GLU   A 1 81  ? -12.875 12.980  19.574  1.000 13.669 0 193 GLU   A OE2   1 ? 
ATOM   1411 H H     . GLU   A 1 81  ? -10.399 9.302   17.041  1.000 10.365 0 193 GLU   A H     1 c 
ATOM   1412 H HA    . GLU   A 1 81  ? -11.620 11.802  17.366  1.000 10.540 0 193 GLU   A HA    1 c 
ATOM   1413 H HB2   . GLU   A 1 81  ? -9.939  10.595  19.336  1.000 10.864 0 193 GLU   A HB2   1 c 
ATOM   1414 H HB3   . GLU   A 1 81  ? -10.382 12.114  19.402  1.000 10.888 0 193 GLU   A HB3   1 c 
ATOM   1415 H HG2   . GLU   A 1 81  ? -12.205 9.929   19.562  1.000 11.877 0 193 GLU   A HG2   1 c 
ATOM   1416 H HG3   . GLU   A 1 81  ? -11.696 10.728  20.824  1.000 11.912 0 193 GLU   A HG3   1 c 
ATOM   1417 N N     A SER   A 1 82  ? -9.694  13.017  16.411  0.500 10.997 0 194 SER   A N     1 ? 
ATOM   1418 N N     B SER   A 1 82  ? -9.698  13.014  16.402  0.500 10.941 0 194 SER   A N     1 ? 
ATOM   1419 C CA    A SER   A 1 82  ? -8.594  13.674  15.720  0.500 11.283 0 194 SER   A CA    1 ? 
ATOM   1420 C CA    B SER   A 1 82  ? -8.593  13.678  15.727  0.500 11.222 0 194 SER   A CA    1 ? 
ATOM   1421 C C     A SER   A 1 82  ? -7.343  13.663  16.598  0.500 10.717 0 194 SER   A C     1 ? 
ATOM   1422 C C     B SER   A 1 82  ? -7.345  13.630  16.608  0.500 10.697 0 194 SER   A C     1 ? 
ATOM   1423 O O     A SER   A 1 82  ? -7.422  13.943  17.796  0.500 11.278 0 194 SER   A O     1 ? 
ATOM   1424 O O     B SER   A 1 82  ? -7.428  13.854  17.818  0.500 11.212 0 194 SER   A O     1 ? 
ATOM   1425 C CB    A SER   A 1 82  ? -8.982  15.076  15.324  0.500 12.094 0 194 SER   A CB    1 ? 
ATOM   1426 C CB    B SER   A 1 82  ? -8.953  15.099  15.386  0.500 11.965 0 194 SER   A CB    1 ? 
ATOM   1427 O OG    A SER   A 1 82  ? -10.044 15.052  14.380  0.500 12.983 0 194 SER   A OG    1 ? 
ATOM   1428 O OG    B SER   A 1 82  ? -9.036  15.882  16.568  0.500 12.583 0 194 SER   A OG    1 ? 
ATOM   1429 H H     A SER   A 1 82  ? -10.474 13.479  16.529  0.500 10.951 0 194 SER   A H     1 c 
ATOM   1430 H H     B SER   A 1 82  ? -10.484 13.469  16.504  0.500 10.904 0 194 SER   A H     1 c 
ATOM   1431 H HA    A SER   A 1 82  ? -8.401  13.161  14.896  0.500 11.241 0 194 SER   A HA    1 c 
ATOM   1432 H HA    B SER   A 1 82  ? -8.405  13.190  14.887  0.500 11.177 0 194 SER   A HA    1 c 
ATOM   1433 H HB2   A SER   A 1 82  ? -9.263  15.571  16.118  0.500 12.083 0 194 SER   A HB2   1 c 
ATOM   1434 H HB2   B SER   A 1 82  ? -8.275  15.473  14.793  0.500 11.921 0 194 SER   A HB2   1 c 
ATOM   1435 H HB3   A SER   A 1 82  ? -8.210  15.530  14.936  0.500 12.071 0 194 SER   A HB3   1 c 
ATOM   1436 H HB3   B SER   A 1 82  ? -9.812  15.114  14.923  0.500 11.927 0 194 SER   A HB3   1 c 
ATOM   1437 H HG    A SER   A 1 82  ? -10.252 15.872  14.181  0.000 15.852 0 194 SER   A HG    1 c 
ATOM   1438 H HG    B SER   A 1 82  ? -9.241  16.683  16.361  0.000 14.897 0 194 SER   A HG    1 c 
ATOM   1439 N N     . GLY   A 1 83  ? -6.199  13.312  15.997  1.000 10.210 0 195 GLY   A N     1 ? 
ATOM   1440 C CA    . GLY   A 1 83  ? -4.913  13.338  16.682  1.000 9.795  0 195 GLY   A CA    1 ? 
ATOM   1441 C C     . GLY   A 1 83  ? -4.576  12.062  17.452  1.000 9.283  0 195 GLY   A C     1 ? 
ATOM   1442 O O     . GLY   A 1 83  ? -3.482  11.983  18.006  1.000 10.205 0 195 GLY   A O     1 ? 
ATOM   1443 H H     . GLY   A 1 83  ? -6.219  13.060  15.119  1.000 10.274 0 195 GLY   A H     1 c 
ATOM   1444 H HA2   . GLY   A 1 83  ? -4.207  13.500  16.014  1.000 9.770  0 195 GLY   A HA2   1 c 
ATOM   1445 H HA3   . GLY   A 1 83  ? -4.902  14.100  17.308  1.000 9.793  0 195 GLY   A HA3   1 c 
ATOM   1446 N N     . LYS   A 1 84  ? -5.489  11.080  17.520  1.000 8.805  0 196 LYS   A N     1 ? 
ATOM   1447 C CA    . LYS   A 1 84  ? -5.294  9.950   18.420  1.000 8.559  0 196 LYS   A CA    1 ? 
ATOM   1448 C C     . LYS   A 1 84  ? -4.940  8.670   17.671  1.000 8.498  0 196 LYS   A C     1 ? 
ATOM   1449 O O     . LYS   A 1 84  ? -5.400  8.435   16.553  1.000 8.682  0 196 LYS   A O     1 ? 
ATOM   1450 C CB    . LYS   A 1 84  ? -6.522  9.674   19.290  1.000 8.387  0 196 LYS   A CB    1 ? 
ATOM   1451 C CG    . LYS   A 1 84  ? -6.888  10.798  20.241  1.000 8.259  0 196 LYS   A CG    1 ? 
ATOM   1452 C CD    . LYS   A 1 84  ? -7.789  10.340  21.373  1.000 8.294  0 196 LYS   A CD    1 ? 
ATOM   1453 C CE    . LYS   A 1 84  ? -8.445  11.480  22.083  1.000 8.392  0 196 LYS   A CE    1 ? 
ATOM   1454 N NZ    . LYS   A 1 84  ? -9.179  11.006  23.262  1.000 8.571  0 196 LYS   A NZ    1 ? 
ATOM   1455 H H     . LYS   A 1 84  ? -6.236  11.106  16.995  1.000 8.862  0 196 LYS   A H     1 c 
ATOM   1456 H HA    . LYS   A 1 84  ? -4.548  10.171  19.029  1.000 8.577  0 196 LYS   A HA    1 c 
ATOM   1457 H HB2   . LYS   A 1 84  ? -7.290  9.501   18.704  1.000 8.380  0 196 LYS   A HB2   1 c 
ATOM   1458 H HB3   . LYS   A 1 84  ? -6.361  8.862   19.817  1.000 8.387  0 196 LYS   A HB3   1 c 
ATOM   1459 H HG2   . LYS   A 1 84  ? -6.063  11.175  20.617  1.000 8.258  0 196 LYS   A HG2   1 c 
ATOM   1460 H HG3   . LYS   A 1 84  ? -7.343  11.505  19.733  1.000 8.257  0 196 LYS   A HG3   1 c 
ATOM   1461 H HD2   . LYS   A 1 84  ? -8.482  9.746   21.011  1.000 8.302  0 196 LYS   A HD2   1 c 
ATOM   1462 H HD3   . LYS   A 1 84  ? -7.255  9.826   22.018  1.000 8.294  0 196 LYS   A HD3   1 c 
ATOM   1463 H HE2   . LYS   A 1 84  ? -7.773  12.127  22.362  1.000 8.400  0 196 LYS   A HE2   1 c 
ATOM   1464 H HE3   . LYS   A 1 84  ? -9.066  11.926  21.479  1.000 8.406  0 196 LYS   A HE3   1 c 
ATOM   1465 H HZ1   . LYS   A 1 84  ? -8.609  10.593  23.832  1.000 8.523  0 196 LYS   A HZ1   1 c 
ATOM   1466 H HZ2   . LYS   A 1 84  ? -9.821  10.420  23.007  1.000 8.532  0 196 LYS   A HZ2   1 c 
ATOM   1467 H HZ3   . LYS   A 1 84  ? -9.566  11.707  23.684  1.000 8.532  0 196 LYS   A HZ3   1 c 
ATOM   1468 N N     . PRO   A 1 85  ? -4.121  7.800   18.298  1.000 8.594  0 197 PRO   A N     1 ? 
ATOM   1469 C CA    . PRO   A 1 85  ? -3.826  6.475   17.757  1.000 8.651  0 197 PRO   A CA    1 ? 
ATOM   1470 C C     . PRO   A 1 85  ? -5.083  5.614   17.740  1.000 8.419  0 197 PRO   A C     1 ? 
ATOM   1471 O O     . PRO   A 1 85  ? -5.861  5.631   18.694  1.000 9.029  0 197 PRO   A O     1 ? 
ATOM   1472 C CB    . PRO   A 1 85  ? -2.742  5.870   18.662  1.000 9.481  0 197 PRO   A CB    1 ? 
ATOM   1473 C CG    . PRO   A 1 85  ? -2.483  6.891   19.737  1.000 9.701  0 197 PRO   A CG    1 ? 
ATOM   1474 C CD    . PRO   A 1 85  ? -3.434  8.050   19.571  1.000 8.892  0 197 PRO   A CD    1 ? 
ATOM   1475 H HA    . PRO   A 1 85  ? -3.472  6.576   16.842  1.000 8.674  0 197 PRO   A HA    1 c 
ATOM   1476 H HB2   . PRO   A 1 85  ? -3.051  5.022   19.058  1.000 9.360  0 197 PRO   A HB2   1 c 
ATOM   1477 H HB3   . PRO   A 1 85  ? -1.919  5.693   18.148  1.000 9.376  0 197 PRO   A HB3   1 c 
ATOM   1478 H HG2   . PRO   A 1 85  ? -2.608  6.486   20.621  1.000 9.584  0 197 PRO   A HG2   1 c 
ATOM   1479 H HG3   . PRO   A 1 85  ? -1.558  7.212   19.680  1.000 9.550  0 197 PRO   A HG3   1 c 
ATOM   1480 H HD2   . PRO   A 1 85  ? -4.077  8.084   20.315  1.000 8.947  0 197 PRO   A HD2   1 c 
ATOM   1481 H HD3   . PRO   A 1 85  ? -2.941  8.899   19.541  1.000 8.943  0 197 PRO   A HD3   1 c 
ATOM   1482 N N     . PHE   A 1 86  ? -5.256  4.849   16.656  1.000 8.366  0 198 PHE   A N     1 ? 
ATOM   1483 C CA    . PHE   A 1 86  ? -6.440  4.025   16.480  1.000 8.273  0 198 PHE   A CA    1 ? 
ATOM   1484 C C     . PHE   A 1 86  ? -6.044  2.631   16.004  1.000 8.063  0 198 PHE   A C     1 ? 
ATOM   1485 O O     . PHE   A 1 86  ? -4.973  2.417   15.435  1.000 7.943  0 198 PHE   A O     1 ? 
ATOM   1486 C CB    . PHE   A 1 86  ? -7.411  4.643   15.472  1.000 8.894  0 198 PHE   A CB    1 ? 
ATOM   1487 C CG    . PHE   A 1 86  ? -6.883  4.607   14.047  1.000 9.157  0 198 PHE   A CG    1 ? 
ATOM   1488 C CD1   . PHE   A 1 86  ? -7.091  3.496   13.236  1.000 9.478  0 198 PHE   A CD1   1 ? 
ATOM   1489 C CD2   . PHE   A 1 86  ? -6.156  5.671   13.531  1.000 9.778  0 198 PHE   A CD2   1 ? 
ATOM   1490 C CE1   . PHE   A 1 86  ? -6.589  3.456   11.945  1.000 9.770  0 198 PHE   A CE1   1 ? 
ATOM   1491 C CE2   . PHE   A 1 86  ? -5.664  5.632   12.237  1.000 10.259 0 198 PHE   A CE2   1 ? 
ATOM   1492 C CZ    . PHE   A 1 86  ? -5.881  4.525   11.447  1.000 10.170 0 198 PHE   A CZ    1 ? 
ATOM   1493 H H     . PHE   A 1 86  ? -4.613  4.840   16.006  1.000 8.331  0 198 PHE   A H     1 c 
ATOM   1494 H HA    . PHE   A 1 86  ? -6.902  3.942   17.355  1.000 8.307  0 198 PHE   A HA    1 c 
ATOM   1495 H HB2   . PHE   A 1 86  ? -8.262  4.153   15.513  1.000 8.813  0 198 PHE   A HB2   1 c 
ATOM   1496 H HB3   . PHE   A 1 86  ? -7.581  5.576   15.729  1.000 8.813  0 198 PHE   A HB3   1 c 
ATOM   1497 H HD1   . PHE   A 1 86  ? -7.572  2.758   13.574  1.000 9.461  0 198 PHE   A HD1   1 c 
ATOM   1498 H HD2   . PHE   A 1 86  ? -6.001  6.432   14.068  1.000 9.720  0 198 PHE   A HD2   1 c 
ATOM   1499 H HE1   . PHE   A 1 86  ? -6.743  2.698   11.404  1.000 9.768  0 198 PHE   A HE1   1 c 
ATOM   1500 H HE2   . PHE   A 1 86  ? -5.177  6.365   11.898  1.000 10.156 0 198 PHE   A HE2   1 c 
ATOM   1501 H HZ    . PHE   A 1 86  ? -5.545  4.501   10.565  1.000 10.109 0 198 PHE   A HZ    1 c 
ATOM   1502 N N     . LYS   A 1 87  ? -6.974  1.702   16.209  1.000 8.037  0 199 LYS   A N     1 ? 
ATOM   1503 C CA    . LYS   A 1 87  ? -6.906  0.357   15.662  1.000 8.334  0 199 LYS   A CA    1 ? 
ATOM   1504 C C     . LYS   A 1 87  ? -8.268  0.046   15.054  1.000 8.331  0 199 LYS   A C     1 ? 
ATOM   1505 O O     . LYS   A 1 87  ? -9.282  0.138   15.746  1.000 8.593  0 199 LYS   A O     1 ? 
ATOM   1506 C CB    . LYS   A 1 87  ? -6.589  -0.658  16.765  1.000 8.910  0 199 LYS   A CB    1 ? 
ATOM   1507 C CG    . LYS   A 1 87  ? -6.574  -2.108  16.293  1.000 9.613  0 199 LYS   A CG    1 ? 
ATOM   1508 C CD    . LYS   A 1 87  ? -6.076  -3.074  17.358  1.000 10.436 0 199 LYS   A CD    1 ? 
ATOM   1509 C CE    . LYS   A 1 87  ? -7.039  -3.241  18.493  1.000 11.479 0 199 LYS   A CE    1 ? 
ATOM   1510 N NZ    . LYS   A 1 87  ? -6.571  -4.267  19.426  1.000 13.105 0 199 LYS   A NZ    1 ? 
ATOM   1511 H H     . LYS   A 1 87  ? -7.697  1.921   16.723  1.000 8.057  0 199 LYS   A H     1 c 
ATOM   1512 H HA    . LYS   A 1 87  ? -6.211  0.327   14.960  1.000 8.332  0 199 LYS   A HA    1 c 
ATOM   1513 H HB2   . LYS   A 1 87  ? -5.710  -0.446  17.145  1.000 8.922  0 199 LYS   A HB2   1 c 
ATOM   1514 H HB3   . LYS   A 1 87  ? -7.254  -0.568  17.480  1.000 8.925  0 199 LYS   A HB3   1 c 
ATOM   1515 H HG2   . LYS   A 1 87  ? -7.485  -2.362  16.031  1.000 9.591  0 199 LYS   A HG2   1 c 
ATOM   1516 H HG3   . LYS   A 1 87  ? -5.998  -2.176  15.501  1.000 9.603  0 199 LYS   A HG3   1 c 
ATOM   1517 H HD2   . LYS   A 1 87  ? -5.916  -3.950  16.944  1.000 10.409 0 199 LYS   A HD2   1 c 
ATOM   1518 H HD3   . LYS   A 1 87  ? -5.221  -2.745  17.711  1.000 10.411 0 199 LYS   A HD3   1 c 
ATOM   1519 H HE2   . LYS   A 1 87  ? -7.143  -2.398  18.969  1.000 11.443 0 199 LYS   A HE2   1 c 
ATOM   1520 H HE3   . LYS   A 1 87  ? -7.910  -3.503  18.145  1.000 11.451 0 199 LYS   A HE3   1 c 
ATOM   1521 H HZ1   . LYS   A 1 87  ? -5.762  -4.030  19.760  1.000 12.777 0 199 LYS   A HZ1   1 c 
ATOM   1522 H HZ2   . LYS   A 1 87  ? -6.493  -5.060  18.995  1.000 12.774 0 199 LYS   A HZ2   1 c 
ATOM   1523 H HZ3   . LYS   A 1 87  ? -7.155  -4.359  20.108  1.000 12.796 0 199 LYS   A HZ3   1 c 
ATOM   1524 N N     . ILE   A 1 88  ? -8.288  -0.265  13.756  1.000 8.163  0 200 ILE   A N     1 ? 
ATOM   1525 C CA    . ILE   A 1 88  ? -9.487  -0.781  13.112  1.000 8.072  0 200 ILE   A CA    1 ? 
ATOM   1526 C C     . ILE   A 1 88  ? -9.269  -2.267  12.883  1.000 8.049  0 200 ILE   A C     1 ? 
ATOM   1527 O O     . ILE   A 1 88  ? -8.259  -2.645  12.298  1.000 8.255  0 200 ILE   A O     1 ? 
ATOM   1528 C CB    . ILE   A 1 88  ? -9.794  -0.083  11.776  1.000 8.352  0 200 ILE   A CB    1 ? 
ATOM   1529 C CG1   . ILE   A 1 88  ? -9.911  1.430   11.931  1.000 8.549  0 200 ILE   A CG1   1 ? 
ATOM   1530 C CG2   . ILE   A 1 88  ? -11.050 -0.690  11.149  1.000 8.611  0 200 ILE   A CG2   1 ? 
ATOM   1531 C CD1   . ILE   A 1 88  ? -9.907  2.183   10.617  1.000 8.728  0 200 ILE   A CD1   1 ? 
ATOM   1532 H H     . ILE   A 1 88  ? -7.533  -0.151  13.254  1.000 8.152  0 200 ILE   A H     1 c 
ATOM   1533 H HA    . ILE   A 1 88  ? -10.248 -0.658  13.711  1.000 8.087  0 200 ILE   A HA    1 c 
ATOM   1534 H HB    . ILE   A 1 88  ? -9.045  -0.259  11.173  1.000 8.345  0 200 ILE   A HB    1 c 
ATOM   1535 H HG12  . ILE   A 1 88  ? -10.741 1.634   12.408  1.000 8.544  0 200 ILE   A HG12  1 c 
ATOM   1536 H HG13  . ILE   A 1 88  ? -9.166  1.749   12.478  1.000 8.549  0 200 ILE   A HG13  1 c 
ATOM   1537 H HG21  . ILE   A 1 88  ? -11.254 -0.233  10.317  1.000 8.577  0 200 ILE   A HG21  1 c 
ATOM   1538 H HG22  . ILE   A 1 88  ? -11.798 -0.593  11.761  1.000 8.571  0 200 ILE   A HG22  1 c 
ATOM   1539 H HG23  . ILE   A 1 88  ? -10.903 -1.633  10.967  1.000 8.559  0 200 ILE   A HG23  1 c 
ATOM   1540 H HD11  . ILE   A 1 88  ? -9.082  1.988   10.132  1.000 8.698  0 200 ILE   A HD11  1 c 
ATOM   1541 H HD12  . ILE   A 1 88  ? -9.959  3.142   10.792  1.000 8.700  0 200 ILE   A HD12  1 c 
ATOM   1542 H HD13  . ILE   A 1 88  ? -10.672 1.913   10.075  1.000 8.704  0 200 ILE   A HD13  1 c 
ATOM   1543 N N     . GLN   A 1 89  ? -10.217 -3.088  13.337  1.000 8.089  0 201 GLN   A N     1 ? 
ATOM   1544 C CA    . GLN   A 1 89  ? -10.176 -4.510  13.051  1.000 8.568  0 201 GLN   A CA    1 ? 
ATOM   1545 C C     . GLN   A 1 89  ? -11.413 -4.899  12.263  1.000 8.245  0 201 GLN   A C     1 ? 
ATOM   1546 O O     . GLN   A 1 89  ? -12.532 -4.601  12.663  1.000 9.195  0 201 GLN   A O     1 ? 
ATOM   1547 C CB    . GLN   A 1 89  ? -10.023 -5.324  14.325  1.000 9.527  0 201 GLN   A CB    1 ? 
ATOM   1548 C CG    . GLN   A 1 89  ? -8.640  -5.124  14.917  1.000 10.772 0 201 GLN   A CG    1 ? 
ATOM   1549 C CD    . GLN   A 1 89  ? -8.434  -5.902  16.186  1.000 11.938 0 201 GLN   A CD    1 ? 
ATOM   1550 O OE1   . GLN   A 1 89  ? -9.176  -5.731  17.158  1.000 13.268 0 201 GLN   A OE1   1 ? 
ATOM   1551 N NE2   . GLN   A 1 89  ? -7.425  -6.759  16.173  1.000 13.195 0 201 GLN   A NE2   1 ? 
ATOM   1552 H H     . GLN   A 1 89  ? -10.905 -2.755  13.838  1.000 8.147  0 201 GLN   A H     1 c 
ATOM   1553 H HA    . GLN   A 1 89  ? -9.382  -4.688  12.493  1.000 8.550  0 201 GLN   A HA    1 c 
ATOM   1554 H HB2   . GLN   A 1 89  ? -10.703 -5.044  14.973  1.000 9.537  0 201 GLN   A HB2   1 c 
ATOM   1555 H HB3   . GLN   A 1 89  ? -10.163 -6.271  14.125  1.000 9.510  0 201 GLN   A HB3   1 c 
ATOM   1556 H HG2   . GLN   A 1 89  ? -7.966  -5.396  14.259  1.000 10.717 0 201 GLN   A HG2   1 c 
ATOM   1557 H HG3   . GLN   A 1 89  ? -8.504  -4.172  15.105  1.000 10.689 0 201 GLN   A HG3   1 c 
ATOM   1558 H HE21  . GLN   A 1 89  ? -6.919  -6.849  15.450  1.000 12.958 0 201 GLN   A HE21  1 c 
ATOM   1559 H HE22  . GLN   A 1 89  ? -7.253  -7.245  16.895  1.000 12.958 0 201 GLN   A HE22  1 c 
ATOM   1560 N N     . VAL   A 1 90  ? -11.179 -5.548  11.123  1.000 7.661  0 202 VAL   A N     1 ? 
ATOM   1561 C CA    . VAL   A 1 90  ? -12.253 -6.035  10.279  1.000 7.643  0 202 VAL   A CA    1 ? 
ATOM   1562 C C     . VAL   A 1 90  ? -12.175 -7.553  10.306  1.000 7.725  0 202 VAL   A C     1 ? 
ATOM   1563 O O     . VAL   A 1 90  ? -11.178 -8.126  9.878   1.000 8.219  0 202 VAL   A O     1 ? 
ATOM   1564 C CB    . VAL   A 1 90  ? -12.163 -5.485  8.845   1.000 7.773  0 202 VAL   A CB    1 ? 
ATOM   1565 C CG1   . VAL   A 1 90  ? -13.324 -5.975  7.994   1.000 7.989  0 202 VAL   A CG1   1 ? 
ATOM   1566 C CG2   . VAL   A 1 90  ? -12.099 -3.965  8.839   1.000 7.844  0 202 VAL   A CG2   1 ? 
ATOM   1567 H H     . VAL   A 1 90  ? -10.316 -5.694  10.861  1.000 7.725  0 202 VAL   A H     1 c 
ATOM   1568 H HA    . VAL   A 1 90  ? -13.104 -5.754  10.663  1.000 7.665  0 202 VAL   A HA    1 c 
ATOM   1569 H HB    . VAL   A 1 90  ? -11.326 -5.828  8.452   1.000 7.772  0 202 VAL   A HB    1 c 
ATOM   1570 H HG11  . VAL   A 1 90  ? -14.163 -5.699  8.400   1.000 7.949  0 202 VAL   A HG11  1 c 
ATOM   1571 H HG12  . VAL   A 1 90  ? -13.298 -6.944  7.932   1.000 7.937  0 202 VAL   A HG12  1 c 
ATOM   1572 H HG13  . VAL   A 1 90  ? -13.256 -5.593  7.103   1.000 7.946  0 202 VAL   A HG13  1 c 
ATOM   1573 H HG21  . VAL   A 1 90  ? -12.051 -3.646  7.922   1.000 7.817  0 202 VAL   A HG21  1 c 
ATOM   1574 H HG22  . VAL   A 1 90  ? -11.311 -3.669  9.325   1.000 7.830  0 202 VAL   A HG22  1 c 
ATOM   1575 H HG23  . VAL   A 1 90  ? -12.895 -3.605  9.265   1.000 7.825  0 202 VAL   A HG23  1 c 
ATOM   1576 N N     . LEU   A 1 91  ? -13.227 -8.176  10.836  1.000 7.985  0 203 LEU   A N     1 ? 
ATOM   1577 C CA    . LEU   A 1 91  ? -13.310 -9.625  10.929  1.000 8.583  0 203 LEU   A CA    1 ? 
ATOM   1578 C C     . LEU   A 1 91  ? -14.287 -10.111 9.867   1.000 8.496  0 203 LEU   A C     1 ? 
ATOM   1579 O O     . LEU   A 1 91  ? -15.435 -9.676  9.823   1.000 8.751  0 203 LEU   A O     1 ? 
ATOM   1580 C CB    . LEU   A 1 91  ? -13.756 -10.006 12.340  1.000 9.306  0 203 LEU   A CB    1 ? 
ATOM   1581 C CG    . LEU   A 1 91  ? -13.909 -11.503 12.622  1.000 10.584 0 203 LEU   A CG    1 ? 
ATOM   1582 C CD1   . LEU   A 1 91  ? -12.628 -12.267 12.369  1.000 10.761 0 203 LEU   A CD1   1 ? 
ATOM   1583 C CD2   . LEU   A 1 91  ? -14.363 -11.700 14.047  1.000 11.422 0 203 LEU   A CD2   1 ? 
ATOM   1584 H H     . LEU   A 1 91  ? -13.923 -7.678  11.157  1.000 8.020  0 203 LEU   A H     1 c 
ATOM   1585 H HA    . LEU   A 1 91  ? -12.414 -10.007 10.751  1.000 8.561  0 203 LEU   A HA    1 c 
ATOM   1586 H HB2   . LEU   A 1 91  ? -13.103 -9.635  12.978  1.000 9.334  0 203 LEU   A HB2   1 c 
ATOM   1587 H HB3   . LEU   A 1 91  ? -14.620 -9.568  12.516  1.000 9.347  0 203 LEU   A HB3   1 c 
ATOM   1588 H HG    . LEU   A 1 91  ? -14.611 -11.864 12.021  1.000 10.466 0 203 LEU   A HG    1 c 
ATOM   1589 H HD11  . LEU   A 1 91  ? -12.382 -12.190 11.432  1.000 10.703 0 203 LEU   A HD11  1 c 
ATOM   1590 H HD12  . LEU   A 1 91  ? -12.760 -13.204 12.590  1.000 10.717 0 203 LEU   A HD12  1 c 
ATOM   1591 H HD13  . LEU   A 1 91  ? -11.917 -11.902 12.921  1.000 10.726 0 203 LEU   A HD13  1 c 
ATOM   1592 H HD21  . LEU   A 1 91  ? -15.229 -11.278 14.175  1.000 11.276 0 203 LEU   A HD21  1 c 
ATOM   1593 H HD22  . LEU   A 1 91  ? -13.716 -11.301 14.653  1.000 11.303 0 203 LEU   A HD22  1 c 
ATOM   1594 H HD23  . LEU   A 1 91  ? -14.436 -12.649 14.234  1.000 11.295 0 203 LEU   A HD23  1 c 
ATOM   1595 N N     . VAL   A 1 92  ? -13.804 -10.994 8.993   1.000 8.454  0 204 VAL   A N     1 ? 
ATOM   1596 C CA    . VAL   A 1 92  ? -14.647 -11.561 7.953   1.000 8.715  0 204 VAL   A CA    1 ? 
ATOM   1597 C C     . VAL   A 1 92  ? -15.431 -12.717 8.569   1.000 8.964  0 204 VAL   A C     1 ? 
ATOM   1598 O O     . VAL   A 1 92  ? -14.839 -13.628 9.146   1.000 9.487  0 204 VAL   A O     1 ? 
ATOM   1599 C CB    . VAL   A 1 92  ? -13.813 -12.016 6.745   1.000 9.001  0 204 VAL   A CB    1 ? 
ATOM   1600 C CG1   . VAL   A 1 92  ? -14.699 -12.570 5.640   1.000 9.076  0 204 VAL   A CG1   1 ? 
ATOM   1601 C CG2   . VAL   A 1 92  ? -12.942 -10.885 6.218   1.000 9.117  0 204 VAL   A CG2   1 ? 
ATOM   1602 H H     . VAL   A 1 92  ? -12.930 -11.256 9.047   1.000 8.511  0 204 VAL   A H     1 c 
ATOM   1603 H HA    . VAL   A 1 92  ? -15.273 -10.874 7.653   1.000 8.748  0 204 VAL   A HA    1 c 
ATOM   1604 H HB    . VAL   A 1 92  ? -13.220 -12.739 7.056   1.000 8.981  0 204 VAL   A HB    1 c 
ATOM   1605 H HG11  . VAL   A 1 92  ? -15.334 -11.888 5.361   1.000 9.071  0 204 VAL   A HG11  1 c 
ATOM   1606 H HG12  . VAL   A 1 92  ? -15.183 -13.347 5.967   1.000 9.074  0 204 VAL   A HG12  1 c 
ATOM   1607 H HG13  . VAL   A 1 92  ? -14.149 -12.828 4.882   1.000 9.063  0 204 VAL   A HG13  1 c 
ATOM   1608 H HG21  . VAL   A 1 92  ? -12.436 -11.196 5.450   1.000 9.090  0 204 VAL   A HG21  1 c 
ATOM   1609 H HG22  . VAL   A 1 92  ? -12.327 -10.595 6.912   1.000 9.098  0 204 VAL   A HG22  1 c 
ATOM   1610 H HG23  . VAL   A 1 92  ? -13.505 -10.139 5.952   1.000 9.106  0 204 VAL   A HG23  1 c 
ATOM   1611 N N     A GLU   A 1 93  ? -16.762 -12.656 8.449   0.500 9.337  0 205 GLU   A N     1 ? 
ATOM   1612 N N     B GLU   A 1 93  ? -16.763 -12.655 8.445   0.500 9.017  0 205 GLU   A N     1 ? 
ATOM   1613 C CA    A GLU   A 1 93  ? -17.640 -13.726 8.899   0.500 9.637  0 205 GLU   A CA    1 ? 
ATOM   1614 C CA    B GLU   A 1 93  ? -17.653 -13.710 8.906   0.500 9.083  0 205 GLU   A CA    1 ? 
ATOM   1615 C C     A GLU   A 1 93  ? -18.399 -14.262 7.690   0.500 9.268  0 205 GLU   A C     1 ? 
ATOM   1616 C C     B GLU   A 1 93  ? -18.400 -14.260 7.694   0.500 8.884  0 205 GLU   A C     1 ? 
ATOM   1617 O O     A GLU   A 1 93  ? -18.343 -13.673 6.608   0.500 9.063  0 205 GLU   A O     1 ? 
ATOM   1618 O O     B GLU   A 1 93  ? -18.335 -13.679 6.608   0.500 8.732  0 205 GLU   A O     1 ? 
ATOM   1619 C CB    A GLU   A 1 93  ? -18.587 -13.209 9.980   0.500 10.367 0 205 GLU   A CB    1 ? 
ATOM   1620 C CB    B GLU   A 1 93  ? -18.599 -13.146 9.966   0.500 9.227  0 205 GLU   A CB    1 ? 
ATOM   1621 C CG    A GLU   A 1 93  ? -17.898 -12.969 11.317  0.500 11.066 0 205 GLU   A CG    1 ? 
ATOM   1622 C CG    B GLU   A 1 93  ? -17.888 -12.665 11.226  0.500 9.512  0 205 GLU   A CG    1 ? 
ATOM   1623 C CD    A GLU   A 1 93  ? -18.874 -12.561 12.402  0.500 12.420 0 205 GLU   A CD    1 ? 
ATOM   1624 C CD    B GLU   A 1 93  ? -17.385 -13.786 12.115  0.500 10.128 0 205 GLU   A CD    1 ? 
ATOM   1625 O OE1   A GLU   A 1 93  ? -20.063 -12.368 12.067  0.500 13.495 0 205 GLU   A OE1   1 ? 
ATOM   1626 O OE1   B GLU   A 1 93  ? -17.136 -14.891 11.591  0.500 10.487 0 205 GLU   A OE1   1 ? 
ATOM   1627 O OE2   A GLU   A 1 93  ? -18.454 -12.452 13.570  0.500 13.893 0 205 GLU   A OE2   1 ? 
ATOM   1628 O OE2   B GLU   A 1 93  ? -17.289 -13.565 13.339  0.500 10.766 0 205 GLU   A OE2   1 ? 
ATOM   1629 H H     A GLU   A 1 93  ? -17.139 -11.914 8.071   0.500 9.309  0 205 GLU   A H     1 c 
ATOM   1630 H H     B GLU   A 1 93  ? -17.133 -11.916 8.055   0.500 9.014  0 205 GLU   A H     1 c 
ATOM   1631 H HA    A GLU   A 1 93  ? -17.085 -14.453 9.277   0.500 9.619  0 205 GLU   A HA    1 c 
ATOM   1632 H HA    B GLU   A 1 93  ? -17.108 -14.434 9.307   0.500 9.069  0 205 GLU   A HA    1 c 
ATOM   1633 H HB2   A GLU   A 1 93  ? -18.988 -12.370 9.673   0.500 10.326 0 205 GLU   A HB2   1 c 
ATOM   1634 H HB2   B GLU   A 1 93  ? -19.099 -12.398 9.577   0.500 9.239  0 205 GLU   A HB2   1 c 
ATOM   1635 H HB3   A GLU   A 1 93  ? -19.309 -13.856 10.109  0.500 10.315 0 205 GLU   A HB3   1 c 
ATOM   1636 H HB3   B GLU   A 1 93  ? -19.244 -13.838 10.217  0.500 9.246  0 205 GLU   A HB3   1 c 
ATOM   1637 H HG2   A GLU   A 1 93  ? -17.438 -13.789 11.597  0.500 11.116 0 205 GLU   A HG2   1 c 
ATOM   1638 H HG2   B GLU   A 1 93  ? -17.124 -12.106 10.968  0.500 9.566  0 205 GLU   A HG2   1 c 
ATOM   1639 H HG3   A GLU   A 1 93  ? -17.226 -12.262 11.214  0.500 11.120 0 205 GLU   A HG3   1 c 
ATOM   1640 H HG3   B GLU   A 1 93  ? -18.502 -12.105 11.747  0.500 9.559  0 205 GLU   A HG3   1 c 
ATOM   1641 N N     . PRO   A 1 94  ? -19.106 -15.409 7.808   1.000 9.112  0 206 PRO   A N     1 ? 
ATOM   1642 C CA    . PRO   A 1 94  ? -19.796 -15.975 6.646   1.000 9.112  0 206 PRO   A CA    1 ? 
ATOM   1643 C C     . PRO   A 1 94  ? -20.801 -15.064 5.942   1.000 8.752  0 206 PRO   A C     1 ? 
ATOM   1644 O O     . PRO   A 1 94  ? -20.899 -15.118 4.718   1.000 8.858  0 206 PRO   A O     1 ? 
ATOM   1645 C CB    . PRO   A 1 94  ? -20.459 -17.228 7.220   1.000 9.600  0 206 PRO   A CB    1 ? 
ATOM   1646 C CG    . PRO   A 1 94  ? -19.563 -17.604 8.383   1.000 9.664  0 206 PRO   A CG    1 ? 
ATOM   1647 C CD    . PRO   A 1 94  ? -19.207 -16.260 9.007   1.000 9.398  0 206 PRO   A CD    1 ? 
ATOM   1648 H HA    . PRO   A 1 94  ? -19.105 -16.252 5.992   1.000 9.108  0 206 PRO   A HA    1 c 
ATOM   1649 H HB2   . PRO   A 1 94  ? -21.375 -17.034 7.528   1.000 9.526  0 206 PRO   A HB2   1 c 
ATOM   1650 H HB3   . PRO   A 1 94  ? -20.489 -17.950 6.549   1.000 9.547  0 206 PRO   A HB3   1 c 
ATOM   1651 H HG2   . PRO   A 1 94  ? -20.038 -18.174 9.024   1.000 9.605  0 206 PRO   A HG2   1 c 
ATOM   1652 H HG3   . PRO   A 1 94  ? -18.759 -18.072 8.073   1.000 9.611  0 206 PRO   A HG3   1 c 
ATOM   1653 H HD2   . PRO   A 1 94  ? -19.917 -15.952 9.612   1.000 9.403  0 206 PRO   A HD2   1 c 
ATOM   1654 H HD3   . PRO   A 1 94  ? -18.356 -16.311 9.493   1.000 9.379  0 206 PRO   A HD3   1 c 
ATOM   1655 N N     . ASP   A 1 95  ? -21.518 -14.220 6.696   1.000 8.622  0 207 ASP   A N     1 ? 
ATOM   1656 C CA    . ASP   A 1 95  ? -22.570 -13.387 6.125   1.000 8.654  0 207 ASP   A CA    1 ? 
ATOM   1657 C C     . ASP   A 1 95  ? -22.273 -11.887 6.178   1.000 8.444  0 207 ASP   A C     1 ? 
ATOM   1658 O O     . ASP   A 1 95  ? -23.017 -11.114 5.581   1.000 8.669  0 207 ASP   A O     1 ? 
ATOM   1659 C CB    . ASP   A 1 95  ? -23.911 -13.629 6.799   1.000 8.985  0 207 ASP   A CB    1 ? 
ATOM   1660 C CG    . ASP   A 1 95  ? -24.703 -14.830 6.307   1.000 9.396  0 207 ASP   A CG    1 ? 
ATOM   1661 O OD1   . ASP   A 1 95  ? -24.430 -15.304 5.178   1.000 9.890  0 207 ASP   A OD1   1 ? 
ATOM   1662 O OD2   . ASP   A 1 95  ? -25.607 -15.269 7.046   1.000 10.549 0 207 ASP   A OD2   1 ? 
ATOM   1663 H H     . ASP   A 1 95  ? -21.362 -14.179 7.595   1.000 8.628  0 207 ASP   A H     1 c 
ATOM   1664 H HA    . ASP   A 1 95  ? -22.674 -13.632 5.181   1.000 8.666  0 207 ASP   A HA    1 c 
ATOM   1665 H HB2   . ASP   A 1 95  ? -23.756 -13.747 7.760   1.000 9.008  0 207 ASP   A HB2   1 c 
ATOM   1666 H HB3   . ASP   A 1 95  ? -24.478 -12.838 6.687   1.000 8.990  0 207 ASP   A HB3   1 c 
ATOM   1667 N N     A HIS   A 1 96  ? -21.196 -11.475 6.851   0.500 8.191  0 208 HIS   A N     1 ? 
ATOM   1668 N N     B HIS   A 1 96  ? -21.237 -11.478 6.929   0.500 8.821  0 208 HIS   A N     1 ? 
ATOM   1669 C CA    A HIS   A 1 96  ? -20.930 -10.053 6.990   0.500 8.161  0 208 HIS   A CA    1 ? 
ATOM   1670 C CA    B HIS   A 1 96  ? -20.964 -10.065 7.173   0.500 9.260  0 208 HIS   A CA    1 ? 
ATOM   1671 C C     A HIS   A 1 96  ? -19.469 -9.814  7.344   0.500 8.118  0 208 HIS   A C     1 ? 
ATOM   1672 C C     B HIS   A 1 96  ? -19.464 -9.823  7.340   0.500 8.607  0 208 HIS   A C     1 ? 
ATOM   1673 O O     A HIS   A 1 96  ? -18.763 -10.724 7.779   0.500 8.251  0 208 HIS   A O     1 ? 
ATOM   1674 O O     B HIS   A 1 96  ? -18.716 -10.749 7.661   0.500 8.704  0 208 HIS   A O     1 ? 
ATOM   1675 C CB    A HIS   A 1 96  ? -21.839 -9.431  8.059   0.500 8.265  0 208 HIS   A CB    1 ? 
ATOM   1676 C CB    B HIS   A 1 96  ? -21.608 -9.579  8.481   0.500 10.117 0 208 HIS   A CB    1 ? 
ATOM   1677 C CG    A HIS   A 1 96  ? -21.757 -10.103 9.395   0.500 8.343  0 208 HIS   A CG    1 ? 
ATOM   1678 C CG    B HIS   A 1 96  ? -22.973 -10.105 8.793   0.500 11.407 0 208 HIS   A CG    1 ? 
ATOM   1679 N ND1   A HIS   A 1 96  ? -22.775 -10.875 9.912   0.500 8.686  0 208 HIS   A ND1   1 ? 
ATOM   1680 N ND1   B HIS   A 1 96  ? -24.119 -9.347  8.687   0.500 12.326 0 208 HIS   A ND1   1 ? 
ATOM   1681 C CD2   A HIS   A 1 96  ? -20.788 -10.105 10.330  0.500 8.446  0 208 HIS   A CD2   1 ? 
ATOM   1682 C CD2   B HIS   A 1 96  ? -23.369 -11.295 9.261   0.500 11.873 0 208 HIS   A CD2   1 ? 
ATOM   1683 C CE1   A HIS   A 1 96  ? -22.420 -11.331 11.105  0.500 8.844  0 208 HIS   A CE1   1 ? 
ATOM   1684 C CE1   B HIS   A 1 96  ? -25.166 -10.078 9.052   0.500 12.652 0 208 HIS   A CE1   1 ? 
ATOM   1685 N NE2   A HIS   A 1 96  ? -21.216 -10.878 11.381  0.500 8.780  0 208 HIS   A NE2   1 ? 
ATOM   1686 N NE2   B HIS   A 1 96  ? -24.733 -11.266 9.402   0.500 12.778 0 208 HIS   A NE2   1 ? 
ATOM   1687 H H     A HIS   A 1 96  ? -20.620 -12.078 7.225   0.500 8.237  0 208 HIS   A H     1 c 
ATOM   1688 H H     B HIS   A 1 96  ? -20.681 -12.100 7.301   0.500 8.814  0 208 HIS   A H     1 c 
ATOM   1689 H HA    A HIS   A 1 96  ? -21.111 -9.619  6.120   0.500 8.179  0 208 HIS   A HA    1 c 
ATOM   1690 H HA    B HIS   A 1 96  ? -21.288 -9.530  6.408   0.500 9.191  0 208 HIS   A HA    1 c 
ATOM   1691 H HB2   A HIS   A 1 96  ? -21.599 -8.485  8.165   0.500 8.267  0 208 HIS   A HB2   1 c 
ATOM   1692 H HB2   B HIS   A 1 96  ? -21.009 -9.810  9.224   0.500 10.135 0 208 HIS   A HB2   1 c 
ATOM   1693 H HB3   A HIS   A 1 96  ? -22.768 -9.468  7.742   0.500 8.272  0 208 HIS   A HB3   1 c 
ATOM   1694 H HB3   B HIS   A 1 96  ? -21.653 -8.597  8.455   0.500 10.136 0 208 HIS   A HB3   1 c 
ATOM   1695 H HD1   A HIS   A 1 96  ? -23.545 -11.040 9.510   0.000 9.162  0 208 HIS   A HD1   1 c 
ATOM   1696 H HD1   B HIS   A 1 96  ? -24.162 -8.504  8.426   0.000 14.931 0 208 HIS   A HD1   1 c 
ATOM   1697 H HD2   A HIS   A 1 96  ? -19.961 -9.668  10.277  0.500 8.477  0 208 HIS   A HD2   1 c 
ATOM   1698 H HD2   B HIS   A 1 96  ? -22.818 -12.029 9.443   0.500 11.919 0 208 HIS   A HD2   1 c 
ATOM   1699 H HE1   A HIS   A 1 96  ? -22.943 -11.885 11.660  0.500 8.807  0 208 HIS   A HE1   1 c 
ATOM   1700 H HE1   B HIS   A 1 96  ? -26.064 -9.794  9.063   0.500 12.628 0 208 HIS   A HE1   1 c 
ATOM   1701 H HE2   A HIS   A 1 96  ? -20.757 -11.050 12.117  0.000 9.601  0 208 HIS   A HE2   1 c 
ATOM   1702 H HE2   B HIS   A 1 96  ? -25.240 -11.943 9.664   0.000 16.215 0 208 HIS   A HE2   1 c 
ATOM   1703 N N     . PHE   A 1 97  ? -19.049 -8.565  7.136   1.000 8.103  0 209 PHE   A N     1 ? 
ATOM   1704 C CA    . PHE   A 1 97  ? -17.851 -8.017  7.754   1.000 8.469  0 209 PHE   A CA    1 ? 
ATOM   1705 C C     . PHE   A 1 97  ? -18.256 -7.442  9.107   1.000 8.555  0 209 PHE   A C     1 ? 
ATOM   1706 O O     . PHE   A 1 97  ? -19.292 -6.791  9.211   1.000 9.070  0 209 PHE   A O     1 ? 
ATOM   1707 C CB    . PHE   A 1 97  ? -17.235 -6.875  6.947   1.000 8.700  0 209 PHE   A CB    1 ? 
ATOM   1708 C CG    . PHE   A 1 97  ? -16.710 -7.273  5.582   1.000 9.082  0 209 PHE   A CG    1 ? 
ATOM   1709 C CD1   . PHE   A 1 97  ? -15.434 -7.801  5.439   1.000 9.375  0 209 PHE   A CD1   1 ? 
ATOM   1710 C CD2   . PHE   A 1 97  ? -17.498 -7.119  4.447   1.000 9.582  0 209 PHE   A CD2   1 ? 
ATOM   1711 C CE1   . PHE   A 1 97  ? -14.960 -8.159  4.186   1.000 9.863  0 209 PHE   A CE1   1 ? 
ATOM   1712 C CE2   . PHE   A 1 97  ? -17.014 -7.474  3.201   1.000 9.952  0 209 PHE   A CE2   1 ? 
ATOM   1713 C CZ    . PHE   A 1 97  ? -15.749 -7.991  3.071   1.000 9.967  0 209 PHE   A CZ    1 ? 
ATOM   1714 H H     . PHE   A 1 97  ? -19.533 -8.026  6.580   1.000 8.222  0 209 PHE   A H     1 c 
ATOM   1715 H HA    . PHE   A 1 97  ? -17.179 -8.738  7.881   1.000 8.460  0 209 PHE   A HA    1 c 
ATOM   1716 H HB2   . PHE   A 1 97  ? -17.916 -6.175  6.832   1.000 8.709  0 209 PHE   A HB2   1 c 
ATOM   1717 H HB3   . PHE   A 1 97  ? -16.497 -6.488  7.469   1.000 8.711  0 209 PHE   A HB3   1 c 
ATOM   1718 H HD1   . PHE   A 1 97  ? -14.886 -7.913  6.200   1.000 9.400  0 209 PHE   A HD1   1 c 
ATOM   1719 H HD2   . PHE   A 1 97  ? -18.367 -6.760  4.528   1.000 9.556  0 209 PHE   A HD2   1 c 
ATOM   1720 H HE1   . PHE   A 1 97  ? -14.091 -8.515  4.098   1.000 9.797  0 209 PHE   A HE1   1 c 
ATOM   1721 H HE2   . PHE   A 1 97  ? -17.557 -7.361  2.438   1.000 9.867  0 209 PHE   A HE2   1 c 
ATOM   1722 H HZ    . PHE   A 1 97  ? -15.424 -8.239  2.220   1.000 9.900  0 209 PHE   A HZ    1 c 
ATOM   1723 N N     . LYS   A 1 98  ? -17.428 -7.677  10.127  1.000 8.890  0 210 LYS   A N     1 ? 
ATOM   1724 C CA    . LYS   A 1 98  ? -17.634 -7.111  11.452  1.000 9.607  0 210 LYS   A CA    1 ? 
ATOM   1725 C C     . LYS   A 1 98  ? -16.474 -6.170  11.763  1.000 9.138  0 210 LYS   A C     1 ? 
ATOM   1726 O O     . LYS   A 1 98  ? -15.319 -6.561  11.611  1.000 10.337 0 210 LYS   A O     1 ? 
ATOM   1727 C CB    . LYS   A 1 98  ? -17.705 -8.270  12.451  1.000 11.441 0 210 LYS   A CB    1 ? 
ATOM   1728 C CG    . LYS   A 1 98  ? -17.951 -7.889  13.895  1.000 13.391 0 210 LYS   A CG    1 ? 
ATOM   1729 C CD    . LYS   A 1 98  ? -18.318 -9.079  14.770  1.000 15.717 0 210 LYS   A CD    1 ? 
ATOM   1730 C CE    . LYS   A 1 98  ? -19.769 -9.428  14.668  1.000 18.007 0 210 LYS   A CE    1 ? 
ATOM   1731 N NZ    . LYS   A 1 98  ? -20.066 -10.766 15.188  1.000 19.820 0 210 LYS   A NZ    1 ? 
ATOM   1732 H H     . LYS   A 1 98  ? -16.702 -8.215  9.992   1.000 8.906  0 210 LYS   A H     1 c 
ATOM   1733 H HA    . LYS   A 1 98  ? -18.484 -6.603  11.461  1.000 9.581  0 210 LYS   A HA    1 c 
ATOM   1734 H HB2   . LYS   A 1 98  ? -18.420 -8.880  12.168  1.000 11.275 0 210 LYS   A HB2   1 c 
ATOM   1735 H HB3   . LYS   A 1 98  ? -16.861 -8.768  12.406  1.000 11.242 0 210 LYS   A HB3   1 c 
ATOM   1736 H HG2   . LYS   A 1 98  ? -17.139 -7.469  14.249  1.000 13.264 0 210 LYS   A HG2   1 c 
ATOM   1737 H HG3   . LYS   A 1 98  ? -18.676 -7.229  13.927  1.000 13.279 0 210 LYS   A HG3   1 c 
ATOM   1738 H HD2   . LYS   A 1 98  ? -17.782 -9.855  14.498  1.000 15.537 0 210 LYS   A HD2   1 c 
ATOM   1739 H HD3   . LYS   A 1 98  ? -18.102 -8.870  15.704  1.000 15.580 0 210 LYS   A HD3   1 c 
ATOM   1740 H HE2   . LYS   A 1 98  ? -20.285 -8.776  15.176  1.000 17.818 0 210 LYS   A HE2   1 c 
ATOM   1741 H HE3   . LYS   A 1 98  ? -20.052 -9.380  13.738  1.000 17.772 0 210 LYS   A HE3   1 c 
ATOM   1742 H HZ1   . LYS   A 1 98  ? -19.826 -10.816 16.060  1.000 19.523 0 210 LYS   A HZ1   1 c 
ATOM   1743 H HZ2   . LYS   A 1 98  ? -19.605 -11.387 14.718  1.000 19.422 0 210 LYS   A HZ2   1 c 
ATOM   1744 H HZ3   . LYS   A 1 98  ? -20.953 -10.934 15.113  1.000 19.490 0 210 LYS   A HZ3   1 c 
ATOM   1745 N N     . VAL   A 1 99  ? -16.784 -4.942  12.197  1.000 8.416  0 211 VAL   A N     1 ? 
ATOM   1746 C CA    . VAL   A 1 99  ? -15.758 -3.941  12.454  1.000 8.249  0 211 VAL   A CA    1 ? 
ATOM   1747 C C     . VAL   A 1 99  ? -15.764 -3.595  13.936  1.000 8.028  0 211 VAL   A C     1 ? 
ATOM   1748 O O     . VAL   A 1 99  ? -16.824 -3.309  14.493  1.000 8.426  0 211 VAL   A O     1 ? 
ATOM   1749 C CB    . VAL   A 1 99  ? -15.966 -2.668  11.621  1.000 8.472  0 211 VAL   A CB    1 ? 
ATOM   1750 C CG1   . VAL   A 1 99  ? -14.876 -1.635  11.876  1.000 8.497  0 211 VAL   A CG1   1 ? 
ATOM   1751 C CG2   . VAL   A 1 99  ? -16.053 -2.998  10.142  1.000 8.659  0 211 VAL   A CG2   1 ? 
ATOM   1752 H H     . VAL   A 1 99  ? -17.659 -4.722  12.339  1.000 8.496  0 211 VAL   A H     1 c 
ATOM   1753 H HA    . VAL   A 1 99  ? -14.891 -4.321  12.224  1.000 8.289  0 211 VAL   A HA    1 c 
ATOM   1754 H HB    . VAL   A 1 99  ? -16.827 -2.276  11.897  1.000 8.462  0 211 VAL   A HB    1 c 
ATOM   1755 H HG11  . VAL   A 1 99  ? -14.008 -2.022  11.672  1.000 8.497  0 211 VAL   A HG11  1 c 
ATOM   1756 H HG12  . VAL   A 1 99  ? -14.896 -1.361  12.808  1.000 8.493  0 211 VAL   A HG12  1 c 
ATOM   1757 H HG13  . VAL   A 1 99  ? -15.024 -0.860  11.309  1.000 8.480  0 211 VAL   A HG13  1 c 
ATOM   1758 H HG21  . VAL   A 1 99  ? -16.176 -2.179  9.633   1.000 8.623  0 211 VAL   A HG21  1 c 
ATOM   1759 H HG22  . VAL   A 1 99  ? -16.806 -3.592  9.984   1.000 8.626  0 211 VAL   A HG22  1 c 
ATOM   1760 H HG23  . VAL   A 1 99  ? -15.232 -3.435  9.858   1.000 8.632  0 211 VAL   A HG23  1 c 
ATOM   1761 N N     . ALA   A 1 100 ? -14.564 -3.605  14.532  1.000 7.925  0 212 ALA   A N     1 ? 
ATOM   1762 C CA    . ALA   A 1 100 ? -14.336 -3.106  15.882  1.000 8.249  0 212 ALA   A CA    1 ? 
ATOM   1763 C C     . ALA   A 1 100 ? -13.221 -2.067  15.824  1.000 8.269  0 212 ALA   A C     1 ? 
ATOM   1764 O O     . ALA   A 1 100 ? -12.231 -2.271  15.118  1.000 8.823  0 212 ALA   A O     1 ? 
ATOM   1765 C CB    . ALA   A 1 100 ? -13.984 -4.234  16.834  1.000 8.566  0 212 ALA   A CB    1 ? 
ATOM   1766 H H     . ALA   A 1 100 ? -13.852 -3.942  14.071  1.000 7.962  0 212 ALA   A H     1 c 
ATOM   1767 H HA    . ALA   A 1 100 ? -15.168 -2.659  16.198  1.000 8.234  0 212 ALA   A HA    1 c 
ATOM   1768 H HB1   . ALA   A 1 100 ? -14.711 -4.877  16.864  1.000 8.505  0 212 ALA   A HB1   1 c 
ATOM   1769 H HB2   . ALA   A 1 100 ? -13.175 -4.679  16.529  1.000 8.497  0 212 ALA   A HB2   1 c 
ATOM   1770 H HB3   . ALA   A 1 100 ? -13.836 -3.876  17.726  1.000 8.497  0 212 ALA   A HB3   1 c 
ATOM   1771 N N     . VAL   A 1 101 ? -13.398 -0.964  16.563  1.000 8.238  0 213 VAL   A N     1 ? 
ATOM   1772 C CA    . VAL   A 1 101 ? -12.396 0.086   16.622  1.000 8.368  0 213 VAL   A CA    1 ? 
ATOM   1773 C C     . VAL   A 1 101 ? -11.948 0.205   18.069  1.000 8.548  0 213 VAL   A C     1 ? 
ATOM   1774 O O     . VAL   A 1 101 ? -12.783 0.289   18.970  1.000 8.872  0 213 VAL   A O     1 ? 
ATOM   1775 C CB    . VAL   A 1 101 ? -12.939 1.420   16.083  1.000 8.466  0 213 VAL   A CB    1 ? 
ATOM   1776 C CG1   . VAL   A 1 101 ? -11.932 2.549   16.259  1.000 8.789  0 213 VAL   A CG1   1 ? 
ATOM   1777 C CG2   . VAL   A 1 101 ? -13.361 1.294   14.625  1.000 8.602  0 213 VAL   A CG2   1 ? 
ATOM   1778 H H     . VAL   A 1 101 ? -14.168 -0.865  17.045  1.000 8.266  0 213 VAL   A H     1 c 
ATOM   1779 H HA    . VAL   A 1 101 ? -11.635 -0.180  16.076  1.000 8.366  0 213 VAL   A HA    1 c 
ATOM   1780 H HB    . VAL   A 1 101 ? -13.741 1.643   16.612  1.000 8.518  0 213 VAL   A HB    1 c 
ATOM   1781 H HG11  . VAL   A 1 101 ? -11.104 2.319   15.805  1.000 8.741  0 213 VAL   A HG11  1 c 
ATOM   1782 H HG12  . VAL   A 1 101 ? -11.756 2.686   17.204  1.000 8.765  0 213 VAL   A HG12  1 c 
ATOM   1783 H HG13  . VAL   A 1 101 ? -12.292 3.367   15.877  1.000 8.738  0 213 VAL   A HG13  1 c 
ATOM   1784 H HG21  . VAL   A 1 101 ? -13.700 2.149   14.309  1.000 8.575  0 213 VAL   A HG21  1 c 
ATOM   1785 H HG22  . VAL   A 1 101 ? -14.058 0.621   14.544  1.000 8.574  0 213 VAL   A HG22  1 c 
ATOM   1786 H HG23  . VAL   A 1 101 ? -12.595 1.032   14.087  1.000 8.585  0 213 VAL   A HG23  1 c 
ATOM   1787 N N     . ASN   A 1 102 ? -10.633 0.183   18.279  1.000 8.653  0 214 ASN   A N     1 ? 
ATOM   1788 C CA    . ASN   A 1 102 ? -10.073 0.283   19.622  1.000 8.848  0 214 ASN   A CA    1 ? 
ATOM   1789 C C     . ASN   A 1 102 ? -10.755 -0.727  20.550  1.000 9.393  0 214 ASN   A C     1 ? 
ATOM   1790 O O     . ASN   A 1 102 ? -11.106 -0.410  21.690  1.000 10.000 0 214 ASN   A O     1 ? 
ATOM   1791 C CB    . ASN   A 1 102 ? -10.175 1.710   20.157  1.000 8.867  0 214 ASN   A CB    1 ? 
ATOM   1792 C CG    . ASN   A 1 102 ? -9.466  2.705   19.267  1.000 8.786  0 214 ASN   A CG    1 ? 
ATOM   1793 O OD1   . ASN   A 1 102 ? -8.578  2.329   18.497  1.000 8.878  0 214 ASN   A OD1   1 ? 
ATOM   1794 N ND2   . ASN   A 1 102 ? -9.815  3.978   19.372  1.000 9.142  0 214 ASN   A ND2   1 ? 
ATOM   1795 H H     . ASN   A 1 102 ? -10.064 0.106   17.569  1.000 8.651  0 214 ASN   A H     1 c 
ATOM   1796 H HA    . ASN   A 1 102 ? -9.116  0.056   19.570  1.000 8.877  0 214 ASN   A HA    1 c 
ATOM   1797 H HB2   . ASN   A 1 102 ? -11.117 1.960   20.230  1.000 8.851  0 214 ASN   A HB2   1 c 
ATOM   1798 H HB3   . ASN   A 1 102 ? -9.782  1.747   21.052  1.000 8.852  0 214 ASN   A HB3   1 c 
ATOM   1799 H HD21  . ASN   A 1 102 ? -10.440 4.221   19.953  1.000 9.019  0 214 ASN   A HD21  1 c 
ATOM   1800 H HD22  . ASN   A 1 102 ? -9.424  4.588   18.861  1.000 9.028  0 214 ASN   A HD22  1 c 
ATOM   1801 N N     . ASP   A 1 103 ? -10.943 -1.949  20.041  1.000 9.918  0 215 ASP   A N     1 ? 
ATOM   1802 C CA    . ASP   A 1 103 ? -11.453 -3.089  20.800  1.000 10.793 0 215 ASP   A CA    1 ? 
ATOM   1803 C C     . ASP   A 1 103 ? -12.904 -2.913  21.248  1.000 11.192 0 215 ASP   A C     1 ? 
ATOM   1804 O O     . ASP   A 1 103 ? -13.335 -3.592  22.181  1.000 12.899 0 215 ASP   A O     1 ? 
ATOM   1805 C CB    . ASP   A 1 103 ? -10.536 -3.454  21.956  1.000 11.636 0 215 ASP   A CB    1 ? 
ATOM   1806 C CG    . ASP   A 1 103 ? -9.184  -3.976  21.507  1.000 12.475 0 215 ASP   A CG    1 ? 
ATOM   1807 O OD1   . ASP   A 1 103 ? -9.170  -4.910  20.682  1.000 13.228 0 215 ASP   A OD1   1 ? 
ATOM   1808 O OD2   . ASP   A 1 103 ? -8.164  -3.419  21.952  1.000 14.400 0 215 ASP   A OD2   1 ? 
ATOM   1809 H H     . ASP   A 1 103 ? -10.723 -2.091  19.165  1.000 9.902  0 215 ASP   A H     1 c 
ATOM   1810 H HA    . ASP   A 1 103 ? -11.433 -3.868  20.200  1.000 10.822 0 215 ASP   A HA    1 c 
ATOM   1811 H HB2   . ASP   A 1 103 ? -10.396 -2.672  22.529  1.000 11.602 0 215 ASP   A HB2   1 c 
ATOM   1812 H HB3   . ASP   A 1 103 ? -10.961 -4.150  22.498  1.000 11.619 0 215 ASP   A HB3   1 c 
ATOM   1813 N N     . ALA   A 1 104 ? -13.668 -2.061  20.557  1.000 10.695 0 216 ALA   A N     1 ? 
ATOM   1814 C CA    . ALA   A 1 104 ? -15.100 -1.934  20.794  1.000 10.874 0 216 ALA   A CA    1 ? 
ATOM   1815 C C     . ALA   A 1 104 ? -15.850 -2.192  19.493  1.000 10.519 0 216 ALA   A C     1 ? 
ATOM   1816 O O     . ALA   A 1 104 ? -15.539 -1.578  18.472  1.000 10.382 0 216 ALA   A O     1 ? 
ATOM   1817 C CB    . ALA   A 1 104 ? -15.424 -0.561  21.333  1.000 11.386 0 216 ALA   A CB    1 ? 
ATOM   1818 H H     . ALA   A 1 104 ? -13.287 -1.544  19.909  1.000 10.751 0 216 ALA   A H     1 c 
ATOM   1819 H HA    . ALA   A 1 104 ? -15.377 -2.622  21.461  1.000 10.863 0 216 ALA   A HA    1 c 
ATOM   1820 H HB1   . ALA   A 1 104 ? -14.955 -0.420  22.172  1.000 11.335 0 216 ALA   A HB1   1 c 
ATOM   1821 H HB2   . ALA   A 1 104 ? -15.146 0.115   20.693  1.000 11.399 0 216 ALA   A HB2   1 c 
ATOM   1822 H HB3   . ALA   A 1 104 ? -16.381 -0.486  21.484  1.000 11.305 0 216 ALA   A HB3   1 c 
ATOM   1823 N N     . HIS   A 1 105 ? -16.832 -3.099  19.536  1.000 10.597 0 217 HIS   A N     1 ? 
ATOM   1824 C CA    . HIS   A 1 105 ? -17.637 -3.411  18.362  1.000 10.854 0 217 HIS   A CA    1 ? 
ATOM   1825 C C     . HIS   A 1 105 ? -18.279 -2.136  17.823  1.000 10.482 0 217 HIS   A C     1 ? 
ATOM   1826 O O     . HIS   A 1 105 ? -18.825 -1.355  18.600  1.000 11.356 0 217 HIS   A O     1 ? 
ATOM   1827 C CB    . HIS   A 1 105 ? -18.725 -4.438  18.691  1.000 11.795 0 217 HIS   A CB    1 ? 
ATOM   1828 C CG    . HIS   A 1 105 ? -19.639 -4.670  17.539  1.000 12.511 0 217 HIS   A CG    1 ? 
ATOM   1829 N ND1   . HIS   A 1 105 ? -19.205 -5.269  16.378  1.000 13.400 0 217 HIS   A ND1   1 ? 
ATOM   1830 C CD2   . HIS   A 1 105 ? -20.910 -4.306  17.321  1.000 13.518 0 217 HIS   A CD2   1 ? 
ATOM   1831 C CE1   . HIS   A 1 105 ? -20.204 -5.307  15.510  1.000 13.506 0 217 HIS   A CE1   1 ? 
ATOM   1832 N NE2   . HIS   A 1 105 ? -21.253 -4.736  16.067  1.000 13.676 0 217 HIS   A NE2   1 ? 
ATOM   1833 H H     . HIS   A 1 105 ? -17.011 -3.531  20.321  1.000 10.590 0 217 HIS   A H     1 c 
ATOM   1834 H HA    . HIS   A 1 105 ? -17.040 -3.782  17.666  1.000 10.876 0 217 HIS   A HA    1 c 
ATOM   1835 H HB2   . HIS   A 1 105 ? -18.301 -5.284  18.941  1.000 11.748 0 217 HIS   A HB2   1 c 
ATOM   1836 H HB3   . HIS   A 1 105 ? -19.246 -4.114  19.458  1.000 11.752 0 217 HIS   A HB3   1 c 
ATOM   1837 H HD1   . HIS   A 1 105 ? -18.385 -5.552  16.233  0.000 14.241 0 217 HIS   A HD1   1 c 
ATOM   1838 H HD2   . HIS   A 1 105 ? -21.480 -3.871  17.924  1.000 13.349 0 217 HIS   A HD2   1 c 
ATOM   1839 H HE1   . HIS   A 1 105 ? -20.172 -5.684  14.649  1.000 13.457 0 217 HIS   A HE1   1 c 
ATOM   1840 H HE2   . HIS   A 1 105 ? -22.043 -4.628  15.687  0.000 14.560 0 217 HIS   A HE2   1 c 
ATOM   1841 N N     . LEU   A 1 106 ? -18.220 -1.942  16.498  1.000 9.718  0 218 LEU   A N     1 ? 
ATOM   1842 C CA    . LEU   A 1 106 ? -18.768 -0.745  15.868  1.000 9.818  0 218 LEU   A CA    1 ? 
ATOM   1843 C C     . LEU   A 1 106 ? -19.976 -1.093  14.999  1.000 9.698  0 218 LEU   A C     1 ? 
ATOM   1844 O O     . LEU   A 1 106 ? -21.045 -0.515  15.176  1.000 10.755 0 218 LEU   A O     1 ? 
ATOM   1845 C CB    . LEU   A 1 106 ? -17.699 -0.016  15.054  1.000 10.047 0 218 LEU   A CB    1 ? 
ATOM   1846 C CG    . LEU   A 1 106 ? -18.170 1.256   14.343  1.000 10.605 0 218 LEU   A CG    1 ? 
ATOM   1847 C CD1   . LEU   A 1 106 ? -18.689 2.305   15.310  1.000 11.080 0 218 LEU   A CD1   1 ? 
ATOM   1848 C CD2   . LEU   A 1 106 ? -17.039 1.821   13.512  1.000 10.854 0 218 LEU   A CD2   1 ? 
ATOM   1849 H H     . LEU   A 1 106 ? -17.825 -2.574  15.971  1.000 9.824  0 218 LEU   A H     1 c 
ATOM   1850 H HA    . LEU   A 1 106 ? -19.080 -0.140  16.587  1.000 9.827  0 218 LEU   A HA    1 c 
ATOM   1851 H HB2   . LEU   A 1 106 ? -16.959 0.221   15.660  1.000 10.073 0 218 LEU   A HB2   1 c 
ATOM   1852 H HB3   . LEU   A 1 106 ? -17.348 -0.640  14.379  1.000 10.091 0 218 LEU   A HB3   1 c 
ATOM   1853 H HG    . LEU   A 1 106 ? -18.909 1.013   13.727  1.000 10.598 0 218 LEU   A HG    1 c 
ATOM   1854 H HD11  . LEU   A 1 106 ? -19.462 1.957   15.786  1.000 11.004 0 218 LEU   A HD11  1 c 
ATOM   1855 H HD12  . LEU   A 1 106 ? -18.946 3.101   14.817  1.000 10.998 0 218 LEU   A HD12  1 c 
ATOM   1856 H HD13  . LEU   A 1 106 ? -17.992 2.531   15.949  1.000 11.011 0 218 LEU   A HD13  1 c 
ATOM   1857 H HD21  . LEU   A 1 106 ? -16.756 1.161   12.856  1.000 10.804 0 218 LEU   A HD21  1 c 
ATOM   1858 H HD22  . LEU   A 1 106 ? -16.290 2.043   14.090  1.000 10.815 0 218 LEU   A HD22  1 c 
ATOM   1859 H HD23  . LEU   A 1 106 ? -17.341 2.623   13.053  1.000 10.806 0 218 LEU   A HD23  1 c 
ATOM   1860 N N     . LEU   A 1 107 ? -19.800 -1.992  14.025  1.000 9.204  0 219 LEU   A N     1 ? 
ATOM   1861 C CA    . LEU   A 1 107 ? -20.867 -2.280  13.077  1.000 9.341  0 219 LEU   A CA    1 ? 
ATOM   1862 C C     . LEU   A 1 107 ? -20.609 -3.606  12.375  1.000 9.180  0 219 LEU   A C     1 ? 
ATOM   1863 O O     . LEU   A 1 107 ? -19.506 -4.158  12.443  1.000 9.114  0 219 LEU   A O     1 ? 
ATOM   1864 C CB    . LEU   A 1 107 ? -21.020 -1.137  12.068  1.000 9.338  0 219 LEU   A CB    1 ? 
ATOM   1865 C CG    . LEU   A 1 107 ? -19.819 -0.828  11.163  1.000 9.453  0 219 LEU   A CG    1 ? 
ATOM   1866 C CD1   . LEU   A 1 107 ? -19.717 -1.774  9.984   1.000 9.549  0 219 LEU   A CD1   1 ? 
ATOM   1867 C CD2   . LEU   A 1 107 ? -19.887 0.606   10.659  1.000 9.547  0 219 LEU   A CD2   1 ? 
ATOM   1868 H H     . LEU   A 1 107 ? -19.002 -2.430  13.946  1.000 9.312  0 219 LEU   A H     1 c 
ATOM   1869 H HA    . LEU   A 1 107 ? -21.713 -2.366  13.588  1.000 9.308  0 219 LEU   A HA    1 c 
ATOM   1870 H HB2   . LEU   A 1 107 ? -21.791 -1.343  11.491  1.000 9.353  0 219 LEU   A HB2   1 c 
ATOM   1871 H HB3   . LEU   A 1 107 ? -21.248 -0.318  12.566  1.000 9.350  0 219 LEU   A HB3   1 c 
ATOM   1872 H HG    . LEU   A 1 107 ? -18.993 -0.922  11.704  1.000 9.441  0 219 LEU   A HG    1 c 
ATOM   1873 H HD11  . LEU   A 1 107 ? -19.580 -2.680  10.301  1.000 9.521  0 219 LEU   A HD11  1 c 
ATOM   1874 H HD12  . LEU   A 1 107 ? -18.967 -1.513  9.424   1.000 9.526  0 219 LEU   A HD12  1 c 
ATOM   1875 H HD13  . LEU   A 1 107 ? -20.537 -1.733  9.464   1.000 9.543  0 219 LEU   A HD13  1 c 
ATOM   1876 H HD21  . LEU   A 1 107 ? -19.880 1.217   11.415  1.000 9.529  0 219 LEU   A HD21  1 c 
ATOM   1877 H HD22  . LEU   A 1 107 ? -20.705 0.733   10.149  1.000 9.532  0 219 LEU   A HD22  1 c 
ATOM   1878 H HD23  . LEU   A 1 107 ? -19.120 0.787   10.090  1.000 9.533  0 219 LEU   A HD23  1 c 
ATOM   1879 N N     A GLN   A 1 108 ? -21.665 -4.086  11.704  0.500 9.232  0 220 GLN   A N     1 ? 
ATOM   1880 N N     B GLN   A 1 108 ? -21.646 -4.112  11.704  0.500 9.375  0 220 GLN   A N     1 ? 
ATOM   1881 C CA    A GLN   A 1 108 ? -21.615 -5.218  10.789  0.500 9.498  0 220 GLN   A CA    1 ? 
ATOM   1882 C CA    B GLN   A 1 108 ? -21.487 -5.212  10.766  0.500 9.718  0 220 GLN   A CA    1 ? 
ATOM   1883 C C     A GLN   A 1 108 ? -22.102 -4.749  9.420   0.500 9.355  0 220 GLN   A C     1 ? 
ATOM   1884 C C     B GLN   A 1 108 ? -22.113 -4.800  9.437   0.500 9.550  0 220 GLN   A C     1 ? 
ATOM   1885 O O     A GLN   A 1 108 ? -22.951 -3.860  9.341   0.500 9.430  0 220 GLN   A O     1 ? 
ATOM   1886 O O     B GLN   A 1 108 ? -23.054 -4.006  9.406   0.500 9.738  0 220 GLN   A O     1 ? 
ATOM   1887 C CB    A GLN   A 1 108 ? -22.490 -6.365  11.298  0.500 10.364 0 220 GLN   A CB    1 ? 
ATOM   1888 C CB    B GLN   A 1 108 ? -22.056 -6.522  11.315  0.500 10.889 0 220 GLN   A CB    1 ? 
ATOM   1889 C CG    A GLN   A 1 108 ? -21.939 -7.064  12.536  0.500 11.187 0 220 GLN   A CG    1 ? 
ATOM   1890 C CG    B GLN   A 1 108 ? -23.576 -6.574  11.389  0.500 12.128 0 220 GLN   A CG    1 ? 
ATOM   1891 C CD    A GLN   A 1 108 ? -22.814 -8.205  13.007  0.500 12.226 0 220 GLN   A CD    1 ? 
ATOM   1892 C CD    B GLN   A 1 108 ? -24.087 -7.967  11.681  0.500 13.536 0 220 GLN   A CD    1 ? 
ATOM   1893 O OE1   A GLN   A 1 108 ? -22.568 -8.820  14.049  0.500 13.633 0 220 GLN   A OE1   1 ? 
ATOM   1894 O OE1   B GLN   A 1 108 ? -23.611 -8.647  12.598  0.500 14.872 0 220 GLN   A OE1   1 ? 
ATOM   1895 N NE2   A GLN   A 1 108 ? -23.855 -8.493  12.239  0.500 13.000 0 220 GLN   A NE2   1 ? 
ATOM   1896 N NE2   B GLN   A 1 108 ? -25.049 -8.415  10.888  0.500 14.449 0 220 GLN   A NE2   1 ? 
ATOM   1897 H H     A GLN   A 1 108 ? -22.470 -3.673  11.828  0.500 9.268  0 220 GLN   A H     1 c 
ATOM   1898 H H     B GLN   A 1 108 ? -22.480 -3.761  11.835  0.500 9.391  0 220 GLN   A H     1 c 
ATOM   1899 H HA    A GLN   A 1 108 ? -20.678 -5.525  10.714  0.500 9.534  0 220 GLN   A HA    1 c 
ATOM   1900 H HA    B GLN   A 1 108 ? -20.519 -5.349  10.620  0.500 9.755  0 220 GLN   A HA    1 c 
ATOM   1901 H HB2   A GLN   A 1 108 ? -23.380 -6.011  11.504  0.500 10.315 0 220 GLN   A HB2   1 c 
ATOM   1902 H HB2   B GLN   A 1 108 ? -21.742 -7.258  10.750  0.500 10.831 0 220 GLN   A HB2   1 c 
ATOM   1903 H HB3   A GLN   A 1 108 ? -22.592 -7.025  10.580  0.500 10.318 0 220 GLN   A HB3   1 c 
ATOM   1904 H HB3   B GLN   A 1 108 ? -21.693 -6.665  12.214  0.500 10.850 0 220 GLN   A HB3   1 c 
ATOM   1905 H HG2   A GLN   A 1 108 ? -21.043 -7.413  12.339  0.500 11.191 0 220 GLN   A HG2   1 c 
ATOM   1906 H HG2   B GLN   A 1 108 ? -23.890 -5.962  12.089  0.500 12.111 0 220 GLN   A HG2   1 c 
ATOM   1907 H HG3   A GLN   A 1 108 ? -21.851 -6.412  13.263  0.500 11.198 0 220 GLN   A HG3   1 c 
ATOM   1908 H HG3   B GLN   A 1 108 ? -23.951 -6.270  10.536  0.500 12.149 0 220 GLN   A HG3   1 c 
ATOM   1909 H HE21  A GLN   A 1 108 ? -24.003 -8.026  11.500  0.500 12.856 0 220 GLN   A HE21  1 c 
ATOM   1910 H HE21  B GLN   A 1 108 ? -25.367 -7.897  10.242  0.500 14.329 0 220 GLN   A HE21  1 c 
ATOM   1911 H HE22  A GLN   A 1 108 ? -24.402 -9.154  12.466  0.500 12.852 0 220 GLN   A HE22  1 c 
ATOM   1912 H HE22  B GLN   A 1 108 ? -25.375 -9.232  11.004  0.500 14.290 0 220 GLN   A HE22  1 c 
ATOM   1913 N N     . TYR   A 1 109 ? -21.557 -5.346  8.354   1.000 9.035  0 221 TYR   A N     1 ? 
ATOM   1914 C CA    . TYR   A 1 109 ? -21.958 -5.024  6.991   1.000 8.974  0 221 TYR   A CA    1 ? 
ATOM   1915 C C     . TYR   A 1 109 ? -22.169 -6.327  6.233   1.000 8.934  0 221 TYR   A C     1 ? 
ATOM   1916 O O     . TYR   A 1 109 ? -21.210 -7.063  6.014   1.000 9.058  0 221 TYR   A O     1 ? 
ATOM   1917 C CB    . TYR   A 1 109 ? -20.864 -4.159  6.366   1.000 8.829  0 221 TYR   A CB    1 ? 
ATOM   1918 C CG    . TYR   A 1 109 ? -21.208 -3.600  4.997   1.000 8.640  0 221 TYR   A CG    1 ? 
ATOM   1919 C CD1   . TYR   A 1 109 ? -21.870 -2.386  4.875   1.000 8.648  0 221 TYR   A CD1   1 ? 
ATOM   1920 C CD2   . TYR   A 1 109 ? -20.878 -4.283  3.831   1.000 8.633  0 221 TYR   A CD2   1 ? 
ATOM   1921 C CE1   . TYR   A 1 109 ? -22.181 -1.863  3.631   1.000 8.612  0 221 TYR   A CE1   1 ? 
ATOM   1922 C CE2   . TYR   A 1 109 ? -21.181 -3.766  2.582   1.000 8.603  0 221 TYR   A CE2   1 ? 
ATOM   1923 C CZ    . TYR   A 1 109 ? -21.833 -2.549  2.480   1.000 8.481  0 221 TYR   A CZ    1 ? 
ATOM   1924 O OH    . TYR   A 1 109 ? -22.132 -2.009  1.263   1.000 8.554  0 221 TYR   A OH    1 ? 
ATOM   1925 H H     . TYR   A 1 109 ? -20.897 -5.967  8.475   1.000 9.141  0 221 TYR   A H     1 c 
ATOM   1926 H HA    . TYR   A 1 109 ? -22.809 -4.512  7.007   1.000 8.966  0 221 TYR   A HA    1 c 
ATOM   1927 H HB2   . TYR   A 1 109 ? -20.674 -3.411  6.974   1.000 8.827  0 221 TYR   A HB2   1 c 
ATOM   1928 H HB3   . TYR   A 1 109 ? -20.045 -4.698  6.292   1.000 8.830  0 221 TYR   A HB3   1 c 
ATOM   1929 H HD1   . TYR   A 1 109 ? -22.105 -1.905  5.652   1.000 8.649  0 221 TYR   A HD1   1 c 
ATOM   1930 H HD2   . TYR   A 1 109 ? -20.426 -5.110  3.891   1.000 8.621  0 221 TYR   A HD2   1 c 
ATOM   1931 H HE1   . TYR   A 1 109 ? -22.622 -1.033  3.566   1.000 8.591  0 221 TYR   A HE1   1 c 
ATOM   1932 H HE2   . TYR   A 1 109 ? -20.940 -4.238  1.803   1.000 8.582  0 221 TYR   A HE2   1 c 
ATOM   1933 H HH    . TYR   A 1 109 ? -21.483 -1.512  0.994   0.000 8.633  0 221 TYR   A HH    1 c 
ATOM   1934 N N     . ASN   A 1 110 ? -23.417 -6.596  5.838   1.000 9.104  0 222 ASN   A N     1 ? 
ATOM   1935 C CA    . ASN   A 1 110 ? -23.766 -7.834  5.150   1.000 9.770  0 222 ASN   A CA    1 ? 
ATOM   1936 C C     . ASN   A 1 110 ? -23.060 -7.904  3.795   1.000 9.211  0 222 ASN   A C     1 ? 
ATOM   1937 O O     . ASN   A 1 110 ? -22.951 -6.894  3.098   1.000 9.285  0 222 ASN   A O     1 ? 
ATOM   1938 C CB    . ASN   A 1 110 ? -25.279 -7.949  4.986   1.000 11.466 0 222 ASN   A CB    1 ? 
ATOM   1939 C CG    . ASN   A 1 110 ? -25.986 -8.158  6.303   1.000 14.105 0 222 ASN   A CG    1 ? 
ATOM   1940 O OD1   . ASN   A 1 110 ? -25.396 -8.698  7.240   1.000 16.583 0 222 ASN   A OD1   1 ? 
ATOM   1941 N ND2   . ASN   A 1 110 ? -27.247 -7.764  6.391   1.000 15.956 0 222 ASN   A ND2   1 ? 
ATOM   1942 H H     . ASN   A 1 110 ? -24.076 -5.984  6.001   1.000 9.183  0 222 ASN   A H     1 c 
ATOM   1943 H HA    . ASN   A 1 110 ? -23.465 -8.588  5.701   1.000 9.744  0 222 ASN   A HA    1 c 
ATOM   1944 H HB2   . ASN   A 1 110 ? -25.618 -7.133  4.567   1.000 11.372 0 222 ASN   A HB2   1 c 
ATOM   1945 H HB3   . ASN   A 1 110 ? -25.481 -8.699  4.391   1.000 11.375 0 222 ASN   A HB3   1 c 
ATOM   1946 H HD21  . ASN   A 1 110 ? -27.642 -7.379  5.696   1.000 15.514 0 222 ASN   A HD21  1 c 
ATOM   1947 H HD22  . ASN   A 1 110 ? -27.697 -7.885  7.145   1.000 15.562 0 222 ASN   A HD22  1 c 
ATOM   1948 N N     . HIS   A 1 111 ? -22.595 -9.101  3.416   1.000 8.574  0 223 HIS   A N     1 ? 
ATOM   1949 C CA    . HIS   A 1 111 ? -21.926 -9.280  2.131   1.000 8.584  0 223 HIS   A CA    1 ? 
ATOM   1950 C C     . HIS   A 1 111 ? -22.897 -9.040  0.976   1.000 8.914  0 223 HIS   A C     1 ? 
ATOM   1951 O O     . HIS   A 1 111 ? -23.886 -9.753  0.838   1.000 9.941  0 223 HIS   A O     1 ? 
ATOM   1952 C CB    . HIS   A 1 111 ? -21.346 -10.689 1.993   1.000 8.279  0 223 HIS   A CB    1 ? 
ATOM   1953 C CG    . HIS   A 1 111 ? -20.247 -10.966 2.952   1.000 7.981  0 223 HIS   A CG    1 ? 
ATOM   1954 N ND1   . HIS   A 1 111 ? -19.152 -10.140 3.082   1.000 8.143  0 223 HIS   A ND1   1 ? 
ATOM   1955 C CD2   . HIS   A 1 111 ? -20.054 -11.997 3.788   1.000 7.774  0 223 HIS   A CD2   1 ? 
ATOM   1956 C CE1   . HIS   A 1 111 ? -18.350 -10.648 4.008   1.000 8.065  0 223 HIS   A CE1   1 ? 
ATOM   1957 N NE2   . HIS   A 1 111 ? -18.877 -11.780 4.446   1.000 7.831  0 223 HIS   A NE2   1 ? 
ATOM   1958 H H     . HIS   A 1 111 ? -22.698 -9.822  3.968   1.000 8.659  0 223 HIS   A H     1 c 
ATOM   1959 H HA    . HIS   A 1 111 ? -21.192 -8.621  2.068   1.000 8.584  0 223 HIS   A HA    1 c 
ATOM   1960 H HB2   . HIS   A 1 111 ? -22.066 -11.342 2.133   1.000 8.262  0 223 HIS   A HB2   1 c 
ATOM   1961 H HB3   . HIS   A 1 111 ? -21.007 -10.803 1.078   1.000 8.266  0 223 HIS   A HB3   1 c 
ATOM   1962 H HD1   . HIS   A 1 111 ? -19.010 -9.404  2.613   0.000 8.390  0 223 HIS   A HD1   1 c 
ATOM   1963 H HD2   . HIS   A 1 111 ? -20.629 -12.725 3.920   1.000 7.817  0 223 HIS   A HD2   1 c 
ATOM   1964 H HE1   . HIS   A 1 111 ? -17.533 -10.273 4.290   1.000 8.032  0 223 HIS   A HE1   1 c 
ATOM   1965 H HE2   . HIS   A 1 111 ? -18.532 -12.304 5.068   0.000 7.817  0 223 HIS   A HE2   1 c 
ATOM   1966 N N     . ARG   A 1 112 ? -22.574 -8.045  0.144   1.000 8.676  0 224 ARG   A N     1 ? 
ATOM   1967 C CA    . ARG   A 1 112 ? -23.264 -7.802  -1.118  1.000 8.715  0 224 ARG   A CA    1 ? 
ATOM   1968 C C     . ARG   A 1 112 ? -22.501 -8.468  -2.264  1.000 9.068  0 224 ARG   A C     1 ? 
ATOM   1969 O O     . ARG   A 1 112 ? -23.108 -9.093  -3.139  1.000 9.743  0 224 ARG   A O     1 ? 
ATOM   1970 C CB    . ARG   A 1 112 ? -23.399 -6.296  -1.360  1.000 8.713  0 224 ARG   A CB    1 ? 
ATOM   1971 C CG    . ARG   A 1 112 ? -24.147 -5.561  -0.261  1.000 8.795  0 224 ARG   A CG    1 ? 
ATOM   1972 C CD    . ARG   A 1 112 ? -24.367 -4.129  -0.666  1.000 8.921  0 224 ARG   A CD    1 ? 
ATOM   1973 N NE    . ARG   A 1 112 ? -24.815 -3.337  0.481   1.000 8.993  0 224 ARG   A NE    1 ? 
ATOM   1974 C CZ    . ARG   A 1 112 ? -24.965 -2.019  0.471   1.000 9.098  0 224 ARG   A CZ    1 ? 
ATOM   1975 N NH1   . ARG   A 1 112 ? -24.784 -1.336  -0.649  1.000 9.212  0 224 ARG   A NH1   1 ? 
ATOM   1976 N NH2   . ARG   A 1 112 ? -25.306 -1.385  1.579   1.000 9.309  0 224 ARG   A NH2   1 ? 
ATOM   1977 H H     . ARG   A 1 112 ? -21.892 -7.484  0.378   1.000 8.720  0 224 ARG   A H     1 c 
ATOM   1978 H HA    . ARG   A 1 112 ? -24.171 -8.200  -1.066  1.000 8.768  0 224 ARG   A HA    1 c 
ATOM   1979 H HB2   . ARG   A 1 112 ? -22.501 -5.909  -1.444  1.000 8.723  0 224 ARG   A HB2   1 c 
ATOM   1980 H HB3   . ARG   A 1 112 ? -23.866 -6.153  -2.210  1.000 8.719  0 224 ARG   A HB3   1 c 
ATOM   1981 H HG2   . ARG   A 1 112 ? -25.015 -5.994  -0.106  1.000 8.803  0 224 ARG   A HG2   1 c 
ATOM   1982 H HG3   . ARG   A 1 112 ? -23.626 -5.590  0.570   1.000 8.809  0 224 ARG   A HG3   1 c 
ATOM   1983 H HD2   . ARG   A 1 112 ? -23.535 -3.754  -1.016  1.000 8.886  0 224 ARG   A HD2   1 c 
ATOM   1984 H HD3   . ARG   A 1 112 ? -25.043 -4.089  -1.373  1.000 8.914  0 224 ARG   A HD3   1 c 
ATOM   1985 H HE    . ARG   A 1 112 ? -24.996 -3.759  1.222   1.000 8.974  0 224 ARG   A HE    1 c 
ATOM   1986 H HH11  . ARG   A 1 112 ? -24.774 -0.452  -0.626  1.000 9.199  0 224 ARG   A HH11  1 c 
ATOM   1987 H HH12  . ARG   A 1 112 ? -24.675 -1.757  -1.418  1.000 9.196  0 224 ARG   A HH12  1 c 
ATOM   1988 H HH21  . ARG   A 1 112 ? -25.362 -0.503  1.583   1.000 9.256  0 224 ARG   A HH21  1 c 
ATOM   1989 H HH22  . ARG   A 1 112 ? -25.477 -1.844  2.314   1.000 9.255  0 224 ARG   A HH22  1 c 
ATOM   1990 N N     . VAL   A 1 113 ? -21.174 -8.297  -2.251  1.000 9.077  0 225 VAL   A N     1 ? 
ATOM   1991 C CA    . VAL   A 1 113 ? -20.258 -9.022  -3.123  1.000 9.054  0 225 VAL   A CA    1 ? 
ATOM   1992 C C     . VAL   A 1 113 ? -20.012 -10.395 -2.503  1.000 9.260  0 225 VAL   A C     1 ? 
ATOM   1993 O O     . VAL   A 1 113 ? -19.569 -10.493 -1.354  1.000 10.184 0 225 VAL   A O     1 ? 
ATOM   1994 C CB    . VAL   A 1 113 ? -18.947 -8.242  -3.329  1.000 9.451  0 225 VAL   A CB    1 ? 
ATOM   1995 C CG1   . VAL   A 1 113 ? -17.887 -9.067  -4.052  1.000 9.750  0 225 VAL   A CG1   1 ? 
ATOM   1996 C CG2   . VAL   A 1 113 ? -19.201 -6.934  -4.064  1.000 9.621  0 225 VAL   A CG2   1 ? 
ATOM   1997 H H     . VAL   A 1 113 ? -20.822 -7.686  -1.669  1.000 9.062  0 225 VAL   A H     1 c 
ATOM   1998 H HA    . VAL   A 1 113 ? -20.687 -9.141  -3.993  1.000 9.080  0 225 VAL   A HA    1 c 
ATOM   1999 H HB    . VAL   A 1 113 ? -18.597 -8.022  -2.434  1.000 9.457  0 225 VAL   A HB    1 c 
ATOM   2000 H HG11  . VAL   A 1 113 ? -18.230 -9.352  -4.915  1.000 9.713  0 225 VAL   A HG11  1 c 
ATOM   2001 H HG12  . VAL   A 1 113 ? -17.660 -9.848  -3.520  1.000 9.708  0 225 VAL   A HG12  1 c 
ATOM   2002 H HG13  . VAL   A 1 113 ? -17.090 -8.526  -4.184  1.000 9.698  0 225 VAL   A HG13  1 c 
ATOM   2003 H HG21  . VAL   A 1 113 ? -18.358 -6.468  -4.199  1.000 9.579  0 225 VAL   A HG21  1 c 
ATOM   2004 H HG22  . VAL   A 1 113 ? -19.797 -6.375  -3.538  1.000 9.590  0 225 VAL   A HG22  1 c 
ATOM   2005 H HG23  . VAL   A 1 113 ? -19.609 -7.119  -4.926  1.000 9.610  0 225 VAL   A HG23  1 c 
ATOM   2006 N N     . LYS   A 1 114 ? -20.316 -11.455 -3.256  1.000 9.417  0 226 LYS   A N     1 ? 
ATOM   2007 C CA    . LYS   A 1 114 ? -20.375 -12.804 -2.709  1.000 10.094 0 226 LYS   A CA    1 ? 
ATOM   2008 C C     . LYS   A 1 114 ? -19.132 -13.628 -3.033  1.000 9.490  0 226 LYS   A C     1 ? 
ATOM   2009 O O     . LYS   A 1 114 ? -18.896 -14.647 -2.386  1.000 9.937  0 226 LYS   A O     1 ? 
ATOM   2010 C CB    . LYS   A 1 114 ? -21.671 -13.447 -3.202  1.000 11.069 0 226 LYS   A CB    1 ? 
ATOM   2011 C CG    . LYS   A 1 114 ? -22.865 -12.668 -2.676  1.000 12.301 0 226 LYS   A CG    1 ? 
ATOM   2012 C CD    . LYS   A 1 114 ? -24.207 -13.359 -2.812  1.000 12.619 0 226 LYS   A CD    1 ? 
ATOM   2013 C CE    . LYS   A 1 114 ? -25.305 -12.423 -2.413  1.000 12.511 0 226 LYS   A CE    1 ? 
ATOM   2014 N NZ    . LYS   A 1 114 ? -25.419 -12.268 -0.956  1.000 12.303 0 226 LYS   A NZ    1 ? 
ATOM   2015 H H     . LYS   A 1 114 ? -20.500 -11.333 -4.143  1.000 9.506  0 226 LYS   A H     1 c 
ATOM   2016 H HA    . LYS   A 1 114 ? -20.439 -12.733 -1.723  1.000 10.007 0 226 LYS   A HA    1 c 
ATOM   2017 H HB2   . LYS   A 1 114 ? -21.689 -13.451 -4.183  1.000 11.094 0 226 LYS   A HB2   1 c 
ATOM   2018 H HB3   . LYS   A 1 114 ? -21.722 -14.375 -2.887  1.000 11.035 0 226 LYS   A HB3   1 c 
ATOM   2019 H HG2   . LYS   A 1 114 ? -22.709 -12.466 -1.729  1.000 12.138 0 226 LYS   A HG2   1 c 
ATOM   2020 H HG3   . LYS   A 1 114 ? -22.906 -11.813 -3.157  1.000 12.127 0 226 LYS   A HG3   1 c 
ATOM   2021 H HD2   . LYS   A 1 114 ? -24.339 -13.643 -3.742  1.000 12.581 0 226 LYS   A HD2   1 c 
ATOM   2022 H HD3   . LYS   A 1 114 ? -24.227 -14.153 -2.233  1.000 12.560 0 226 LYS   A HD3   1 c 
ATOM   2023 H HE2   . LYS   A 1 114 ? -25.147 -11.548 -2.810  1.000 12.499 0 226 LYS   A HE2   1 c 
ATOM   2024 H HE3   . LYS   A 1 114 ? -26.151 -12.759 -2.759  1.000 12.520 0 226 LYS   A HE3   1 c 
ATOM   2025 H HZ1   . LYS   A 1 114 ? -24.663 -11.900 -0.621  1.000 12.340 0 226 LYS   A HZ1   1 c 
ATOM   2026 H HZ2   . LYS   A 1 114 ? -25.549 -13.080 -0.578  1.000 12.339 0 226 LYS   A HZ2   1 c 
ATOM   2027 H HZ3   . LYS   A 1 114 ? -26.122 -11.732 -0.759  1.000 12.333 0 226 LYS   A HZ3   1 c 
ATOM   2028 N N     . LYS   A 1 115 ? -18.334 -13.185 -4.008  1.000 9.379  0 227 LYS   A N     1 ? 
ATOM   2029 C CA    . LYS   A 1 115 ? -17.090 -13.869 -4.340  1.000 9.754  0 227 LYS   A CA    1 ? 
ATOM   2030 C C     . LYS   A 1 115 ? -15.983 -13.402 -3.395  1.000 9.249  0 227 LYS   A C     1 ? 
ATOM   2031 O O     . LYS   A 1 115 ? -15.086 -12.658 -3.792  1.000 8.750  0 227 LYS   A O     1 ? 
ATOM   2032 C CB    . LYS   A 1 115 ? -16.757 -13.653 -5.819  1.000 10.540 0 227 LYS   A CB    1 ? 
ATOM   2033 C CG    . LYS   A 1 115 ? -17.718 -14.366 -6.762  1.000 11.853 0 227 LYS   A CG    1 ? 
ATOM   2034 C CD    . LYS   A 1 115 ? -17.412 -14.193 -8.240  1.000 13.016 0 227 LYS   A CD    1 ? 
ATOM   2035 C CE    . LYS   A 1 115 ? -18.396 -14.928 -9.099  1.000 14.769 0 227 LYS   A CE    1 ? 
ATOM   2036 N NZ    . LYS   A 1 115 ? -18.020 -14.985 -10.513 1.000 16.173 0 227 LYS   A NZ    1 ? 
ATOM   2037 H H     . LYS   A 1 115 ? -18.567 -12.441 -4.482  1.000 9.463  0 227 LYS   A H     1 c 
ATOM   2038 H HA    . LYS   A 1 115 ? -17.225 -14.842 -4.204  1.000 9.702  0 227 LYS   A HA    1 c 
ATOM   2039 H HB2   . LYS   A 1 115 ? -16.778 -12.692 -6.015  1.000 10.596 0 227 LYS   A HB2   1 c 
ATOM   2040 H HB3   . LYS   A 1 115 ? -15.847 -13.976 -5.993  1.000 10.583 0 227 LYS   A HB3   1 c 
ATOM   2041 H HG2   . LYS   A 1 115 ? -17.706 -15.325 -6.548  1.000 11.770 0 227 LYS   A HG2   1 c 
ATOM   2042 H HG3   . LYS   A 1 115 ? -18.625 -14.035 -6.587  1.000 11.747 0 227 LYS   A HG3   1 c 
ATOM   2043 H HD2   . LYS   A 1 115 ? -17.439 -13.238 -8.465  1.000 13.053 0 227 LYS   A HD2   1 c 
ATOM   2044 H HD3   . LYS   A 1 115 ? -16.508 -14.528 -8.426  1.000 13.071 0 227 LYS   A HD3   1 c 
ATOM   2045 H HE2   . LYS   A 1 115 ? -18.481 -15.838 -8.763  1.000 14.626 0 227 LYS   A HE2   1 c 
ATOM   2046 H HE3   . LYS   A 1 115 ? -19.268 -14.499 -9.025  1.000 14.647 0 227 LYS   A HE3   1 c 
ATOM   2047 H HZ1   . LYS   A 1 115 ? -17.224 -15.408 -10.600 1.000 15.906 0 227 LYS   A HZ1   1 c 
ATOM   2048 H HZ2   . LYS   A 1 115 ? -17.950 -14.146 -10.846 1.000 15.923 0 227 LYS   A HZ2   1 c 
ATOM   2049 H HZ3   . LYS   A 1 115 ? -18.651 -15.439 -10.980 1.000 15.931 0 227 LYS   A HZ3   1 c 
ATOM   2050 N N     . LEU   A 1 116 ? -16.037 -13.880 -2.143  1.000 9.141  0 228 LEU   A N     1 ? 
ATOM   2051 C CA    . LEU   A 1 116 ? -15.087 -13.471 -1.106  1.000 9.589  0 228 LEU   A CA    1 ? 
ATOM   2052 C C     . LEU   A 1 116 ? -13.660 -13.797 -1.551  1.000 9.212  0 228 LEU   A C     1 ? 
ATOM   2053 O O     . LEU   A 1 116 ? -12.745 -13.031 -1.275  1.000 8.833  0 228 LEU   A O     1 ? 
ATOM   2054 C CB    . LEU   A 1 116 ? -15.374 -14.071 0.278   1.000 10.563 0 228 LEU   A CB    1 ? 
ATOM   2055 C CG    . LEU   A 1 116 ? -16.770 -13.840 0.856   1.000 10.470 0 228 LEU   A CG    1 ? 
ATOM   2056 C CD1   . LEU   A 1 116 ? -16.866 -14.514 2.210   1.000 10.767 0 228 LEU   A CD1   1 ? 
ATOM   2057 C CD2   . LEU   A 1 116 ? -17.080 -12.360 0.961   1.000 10.867 0 228 LEU   A CD2   1 ? 
ATOM   2058 H H     . LEU   A 1 116 ? -16.685 -14.487 -1.927  1.000 9.239  0 228 LEU   A H     1 c 
ATOM   2059 H HA    . LEU   A 1 116 ? -15.147 -12.486 -1.030  1.000 9.561  0 228 LEU   A HA    1 c 
ATOM   2060 H HB2   . LEU   A 1 116 ? -15.219 -15.043 0.227   1.000 10.421 0 228 LEU   A HB2   1 c 
ATOM   2061 H HB3   . LEU   A 1 116 ? -14.714 -13.706 0.912   1.000 10.415 0 228 LEU   A HB3   1 c 
ATOM   2062 H HG    . LEU   A 1 116 ? -17.434 -14.257 0.249   1.000 10.541 0 228 LEU   A HG    1 c 
ATOM   2063 H HD11  . LEU   A 1 116 ? -16.703 -15.468 2.111   1.000 10.715 0 228 LEU   A HD11  1 c 
ATOM   2064 H HD12  . LEU   A 1 116 ? -17.754 -14.375 2.580   1.000 10.724 0 228 LEU   A HD12  1 c 
ATOM   2065 H HD13  . LEU   A 1 116 ? -16.203 -14.134 2.811   1.000 10.722 0 228 LEU   A HD13  1 c 
ATOM   2066 H HD21  . LEU   A 1 116 ? -17.067 -11.960 0.076   1.000 10.808 0 228 LEU   A HD21  1 c 
ATOM   2067 H HD22  . LEU   A 1 116 ? -16.414 -11.928 1.522   1.000 10.811 0 228 LEU   A HD22  1 c 
ATOM   2068 H HD23  . LEU   A 1 116 ? -17.960 -12.241 1.356   1.000 10.803 0 228 LEU   A HD23  1 c 
ATOM   2069 N N     . ASN   A 1 117 ? -13.487 -14.921 -2.256  1.000 9.886  0 229 ASN   A N     1 ? 
ATOM   2070 C CA    . ASN   A 1 117 ? -12.185 -15.394 -2.712  1.000 10.811 0 229 ASN   A CA    1 ? 
ATOM   2071 C C     . ASN   A 1 117 ? -11.577 -14.482 -3.782  1.000 9.875  0 229 ASN   A C     1 ? 
ATOM   2072 O O     . ASN   A 1 117 ? -10.441 -14.713 -4.185  1.000 10.600 0 229 ASN   A O     1 ? 
ATOM   2073 C CB    . ASN   A 1 117 ? -12.275 -16.809 -3.276  1.000 13.149 0 229 ASN   A CB    1 ? 
ATOM   2074 C CG    . ASN   A 1 117 ? -12.987 -16.839 -4.611  1.000 15.407 0 229 ASN   A CG    1 ? 
ATOM   2075 O OD1   . ASN   A 1 117 ? -14.146 -16.418 -4.703  1.000 18.490 0 229 ASN   A OD1   1 ? 
ATOM   2076 N ND2   . ASN   A 1 117 ? -12.320 -17.314 -5.654  1.000 17.768 0 229 ASN   A ND2   1 ? 
ATOM   2077 H H     . ASN   A 1 117 ? -14.222 -15.426 -2.454  1.000 9.882  0 229 ASN   A H     1 c 
ATOM   2078 H HA    . ASN   A 1 117 ? -11.577 -15.417 -1.939  1.000 10.706 0 229 ASN   A HA    1 c 
ATOM   2079 H HB2   . ASN   A 1 117 ? -11.373 -17.172 -3.382  1.000 12.982 0 229 ASN   A HB2   1 c 
ATOM   2080 H HB3   . ASN   A 1 117 ? -12.757 -17.378 -2.643  1.000 12.953 0 229 ASN   A HB3   1 c 
ATOM   2081 H HD21  . ASN   A 1 117 ? -11.492 -17.616 -5.558  1.000 17.214 0 229 ASN   A HD21  1 c 
ATOM   2082 H HD22  . ASN   A 1 117 ? -12.706 -17.329 -6.453  1.000 17.295 0 229 ASN   A HD22  1 c 
ATOM   2083 N N     . GLU   A 1 118 ? -12.324 -13.471 -4.250  1.000 8.764  0 230 GLU   A N     1 ? 
ATOM   2084 C CA    . GLU   A 1 118 ? -11.827 -12.540 -5.258  1.000 8.609  0 230 GLU   A CA    1 ? 
ATOM   2085 C C     . GLU   A 1 118 ? -11.641 -11.133 -4.688  1.000 7.979  0 230 GLU   A C     1 ? 
ATOM   2086 O O     . GLU   A 1 118 ? -11.210 -10.244 -5.425  1.000 7.589  0 230 GLU   A O     1 ? 
ATOM   2087 C CB    . GLU   A 1 118 ? -12.766 -12.513 -6.463  1.000 8.955  0 230 GLU   A CB    1 ? 
ATOM   2088 C CG    . GLU   A 1 118 ? -12.812 -13.846 -7.199  1.000 9.737  0 230 GLU   A CG    1 ? 
ATOM   2089 C CD    . GLU   A 1 118 ? -13.592 -13.836 -8.501  1.000 10.301 0 230 GLU   A CD    1 ? 
ATOM   2090 O OE1   . GLU   A 1 118 ? -14.128 -12.776 -8.878  1.000 10.457 0 230 GLU   A OE1   1 ? 
ATOM   2091 O OE2   . GLU   A 1 118 ? -13.665 -14.906 -9.136  1.000 11.873 0 230 GLU   A OE2   1 ? 
ATOM   2092 H H     . GLU   A 1 118 ? -13.180 -13.371 -3.951  1.000 8.899  0 230 GLU   A H     1 c 
ATOM   2093 H HA    . GLU   A 1 118 ? -10.944 -12.863 -5.572  1.000 8.589  0 230 GLU   A HA    1 c 
ATOM   2094 H HB2   . GLU   A 1 118 ? -13.669 -12.284 -6.156  1.000 9.005  0 230 GLU   A HB2   1 c 
ATOM   2095 H HB3   . GLU   A 1 118 ? -12.473 -11.811 -7.080  1.000 9.002  0 230 GLU   A HB3   1 c 
ATOM   2096 H HG2   . GLU   A 1 118 ? -11.894 -14.131 -7.393  1.000 9.687  0 230 GLU   A HG2   1 c 
ATOM   2097 H HG3   . GLU   A 1 118 ? -13.209 -14.520 -6.608  1.000 9.680  0 230 GLU   A HG3   1 c 
ATOM   2098 N N     . ILE   A 1 119 ? -11.944 -10.936 -3.395  1.000 7.802  0 231 ILE   A N     1 ? 
ATOM   2099 C CA    . ILE   A 1 119 ? -11.711 -9.658  -2.727  1.000 7.643  0 231 ILE   A CA    1 ? 
ATOM   2100 C C     . ILE   A 1 119 ? -10.251 -9.637  -2.288  1.000 7.942  0 231 ILE   A C     1 ? 
ATOM   2101 O O     . ILE   A 1 119 ? -9.939  -10.036 -1.172  1.000 8.358  0 231 ILE   A O     1 ? 
ATOM   2102 C CB    . ILE   A 1 119 ? -12.678 -9.454  -1.544  1.000 7.854  0 231 ILE   A CB    1 ? 
ATOM   2103 C CG1   . ILE   A 1 119 ? -14.132 -9.541  -2.002  1.000 7.848  0 231 ILE   A CG1   1 ? 
ATOM   2104 C CG2   . ILE   A 1 119 ? -12.402 -8.131  -0.824  1.000 8.098  0 231 ILE   A CG2   1 ? 
ATOM   2105 C CD1   . ILE   A 1 119 ? -15.140 -9.562  -0.869  1.000 7.932  0 231 ILE   A CD1   1 ? 
ATOM   2106 H H     . ILE   A 1 119 ? -12.305 -11.621 -2.911  1.000 7.823  0 231 ILE   A H     1 c 
ATOM   2107 H HA    . ILE   A 1 119 ? -11.859 -8.940  -3.371  1.000 7.712  0 231 ILE   A HA    1 c 
ATOM   2108 H HB    . ILE   A 1 119 ? -12.525 -10.180 -0.906  1.000 7.853  0 231 ILE   A HB    1 c 
ATOM   2109 H HG12  . ILE   A 1 119 ? -14.325 -8.775  -2.579  1.000 7.866  0 231 ILE   A HG12  1 c 
ATOM   2110 H HG13  . ILE   A 1 119 ? -14.247 -10.353 -2.536  1.000 7.859  0 231 ILE   A HG13  1 c 
ATOM   2111 H HG21  . ILE   A 1 119 ? -13.019 -8.028  -0.081  1.000 8.073  0 231 ILE   A HG21  1 c 
ATOM   2112 H HG22  . ILE   A 1 119 ? -12.520 -7.393  -1.445  1.000 8.054  0 231 ILE   A HG22  1 c 
ATOM   2113 H HG23  . ILE   A 1 119 ? -11.491 -8.125  -0.486  1.000 8.054  0 231 ILE   A HG23  1 c 
ATOM   2114 H HD11  . ILE   A 1 119 ? -14.946 -10.310 -0.273  1.000 7.924  0 231 ILE   A HD11  1 c 
ATOM   2115 H HD12  . ILE   A 1 119 ? -16.038 -9.667  -1.237  1.000 7.923  0 231 ILE   A HD12  1 c 
ATOM   2116 H HD13  . ILE   A 1 119 ? -15.095 -8.727  -0.365  1.000 7.924  0 231 ILE   A HD13  1 c 
ATOM   2117 N N     . SER   A 1 120 ? -9.361  -9.186  -3.180  1.000 8.164  0 232 SER   A N     1 ? 
ATOM   2118 C CA    . SER   A 1 120 ? -7.939  -9.487  -3.061  1.000 8.287  0 232 SER   A CA    1 ? 
ATOM   2119 C C     . SER   A 1 120 ? -7.093  -8.246  -2.781  1.000 8.212  0 232 SER   A C     1 ? 
ATOM   2120 O O     . SER   A 1 120 ? -5.869  -8.324  -2.827  1.000 8.488  0 232 SER   A O     1 ? 
ATOM   2121 C CB    . SER   A 1 120 ? -7.437  -10.202 -4.285  1.000 8.393  0 232 SER   A CB    1 ? 
ATOM   2122 O OG    . SER   A 1 120 ? -8.161  -11.406 -4.483  1.000 8.724  0 232 SER   A OG    1 ? 
ATOM   2123 H H     . SER   A 1 120 ? -9.648  -8.678  -3.884  1.000 8.149  0 232 SER   A H     1 c 
ATOM   2124 H HA    . SER   A 1 120 ? -7.827  -10.099 -2.294  1.000 8.288  0 232 SER   A HA    1 c 
ATOM   2125 H HB2   . SER   A 1 120 ? -7.543  -9.625  -5.065  1.000 8.427  0 232 SER   A HB2   1 c 
ATOM   2126 H HB3   . SER   A 1 120 ? -6.489  -10.406 -4.178  1.000 8.428  0 232 SER   A HB3   1 c 
ATOM   2127 H HG    . SER   A 1 120 ? -7.868  -11.790 -5.176  0.000 9.070  0 232 SER   A HG    1 c 
ATOM   2128 N N     . LYS   A 1 121 ? -7.722  -7.117  -2.453  1.000 8.498  0 233 LYS   A N     1 ? 
ATOM   2129 C CA    . LYS   A 1 121 ? -6.971  -5.918  -2.109  1.000 9.427  0 233 LYS   A CA    1 ? 
ATOM   2130 C C     . LYS   A 1 121 ? -7.744  -5.131  -1.058  1.000 8.935  0 233 LYS   A C     1 ? 
ATOM   2131 O O     . LYS   A 1 121 ? -8.970  -5.048  -1.137  1.000 9.125  0 233 LYS   A O     1 ? 
ATOM   2132 C CB    . LYS   A 1 121 ? -6.742  -5.015  -3.327  1.000 11.103 0 233 LYS   A CB    1 ? 
ATOM   2133 C CG    . LYS   A 1 121 ? -5.785  -5.540  -4.387  1.000 13.227 0 233 LYS   A CG    1 ? 
ATOM   2134 C CD    . LYS   A 1 121 ? -5.292  -4.460  -5.342  1.000 15.291 0 233 LYS   A CD    1 ? 
ATOM   2135 C CE    . LYS   A 1 121 ? -4.693  -4.999  -6.603  1.000 16.877 0 233 LYS   A CE    1 ? 
ATOM   2136 H H     . LYS   A 1 121 ? -8.635  -7.087  -2.441  1.000 8.553  0 233 LYS   A H     1 c 
ATOM   2137 H HA    . LYS   A 1 121 ? -6.096  -6.187  -1.729  1.000 9.358  0 233 LYS   A HA    1 c 
ATOM   2138 H HB2   . LYS   A 1 121 ? -7.609  -4.851  -3.754  1.000 10.992 0 233 LYS   A HB2   1 c 
ATOM   2139 H HB3   . LYS   A 1 121 ? -6.403  -4.151  -3.011  1.000 10.974 0 233 LYS   A HB3   1 c 
ATOM   2140 H HG2   . LYS   A 1 121 ? -5.013  -5.948  -3.938  1.000 13.042 0 233 LYS   A HG2   1 c 
ATOM   2141 H HG3   . LYS   A 1 121 ? -6.241  -6.240  -4.902  1.000 13.043 0 233 LYS   A HG3   1 c 
ATOM   2142 H HD2   . LYS   A 1 121 ? -6.045  -3.875  -5.573  1.000 15.126 0 233 LYS   A HD2   1 c 
ATOM   2143 H HD3   . LYS   A 1 121 ? -4.620  -3.913  -4.882  1.000 15.082 0 233 LYS   A HD3   1 c 
ATOM   2144 H HE2   . LYS   A 1 121 ? -3.925  -5.558  -6.389  1.000 16.636 0 233 LYS   A HE2   1 c 
ATOM   2145 H HE3   . LYS   A 1 121 ? -5.316  -5.538  -7.061  0.000 23.045 0 233 LYS   A HE3   1 c 
ATOM   2146 N N     . LEU   A 1 122 ? -7.014  -4.543  -0.102  1.000 8.507  0 234 LEU   A N     1 ? 
ATOM   2147 C CA    . LEU   A 1 122 ? -7.559  -3.526  0.783   1.000 8.611  0 234 LEU   A CA    1 ? 
ATOM   2148 C C     . LEU   A 1 122 ? -6.828  -2.211  0.525   1.000 8.629  0 234 LEU   A C     1 ? 
ATOM   2149 O O     . LEU   A 1 122 ? -5.621  -2.121  0.756   1.000 9.244  0 234 LEU   A O     1 ? 
ATOM   2150 C CB    . LEU   A 1 122 ? -7.404  -3.946  2.243   1.000 9.088  0 234 LEU   A CB    1 ? 
ATOM   2151 C CG    . LEU   A 1 122 ? -7.708  -2.854  3.272   1.000 9.585  0 234 LEU   A CG    1 ? 
ATOM   2152 C CD1   . LEU   A 1 122 ? -9.147  -2.395  3.171   1.000 9.727  0 234 LEU   A CD1   1 ? 
ATOM   2153 C CD2   . LEU   A 1 122 ? -7.391  -3.325  4.677   1.000 10.078 0 234 LEU   A CD2   1 ? 
ATOM   2154 H H     . LEU   A 1 122 ? -6.140  -4.789  0.002   1.000 8.590  0 234 LEU   A H     1 c 
ATOM   2155 H HA    . LEU   A 1 122 ? -8.519  -3.409  0.578   1.000 8.659  0 234 LEU   A HA    1 c 
ATOM   2156 H HB2   . LEU   A 1 122 ? -8.003  -4.710  2.410   1.000 9.065  0 234 LEU   A HB2   1 c 
ATOM   2157 H HB3   . LEU   A 1 122 ? -6.478  -4.254  2.378   1.000 9.071  0 234 LEU   A HB3   1 c 
ATOM   2158 H HG    . LEU   A 1 122 ? -7.126  -2.075  3.079   1.000 9.586  0 234 LEU   A HG    1 c 
ATOM   2159 H HD11  . LEU   A 1 122 ? -9.309  -2.020  2.289   1.000 9.672  0 234 LEU   A HD11  1 c 
ATOM   2160 H HD12  . LEU   A 1 122 ? -9.318  -1.717  3.845   1.000 9.689  0 234 LEU   A HD12  1 c 
ATOM   2161 H HD13  . LEU   A 1 122 ? -9.740  -3.151  3.316   1.000 9.696  0 234 LEU   A HD13  1 c 
ATOM   2162 H HD21  . LEU   A 1 122 ? -6.450  -3.562  4.736   1.000 10.001 0 234 LEU   A HD21  1 c 
ATOM   2163 H HD22  . LEU   A 1 122 ? -7.934  -4.103  4.888   1.000 10.003 0 234 LEU   A HD22  1 c 
ATOM   2164 H HD23  . LEU   A 1 122 ? -7.586  -2.614  5.311   1.000 10.005 0 234 LEU   A HD23  1 c 
ATOM   2165 N N     . GLY   A 1 123 ? -7.571  -1.197  0.068   1.000 8.632  0 235 GLY   A N     1 ? 
ATOM   2166 C CA    . GLY   A 1 123 ? -7.051  0.158   -0.040  1.000 8.899  0 235 GLY   A CA    1 ? 
ATOM   2167 C C     . GLY   A 1 123 ? -7.300  0.925   1.255   1.000 8.989  0 235 GLY   A C     1 ? 
ATOM   2168 O O     . GLY   A 1 123 ? -8.372  0.814   1.843   1.000 9.518  0 235 GLY   A O     1 ? 
ATOM   2169 H H     . GLY   A 1 123 ? -8.433  -1.357  -0.188  1.000 8.677  0 235 GLY   A H     1 c 
ATOM   2170 H HA2   . GLY   A 1 123 ? -6.087  0.125   -0.233  1.000 8.877  0 235 GLY   A HA2   1 c 
ATOM   2171 H HA3   . GLY   A 1 123 ? -7.497  0.618   -0.789  1.000 8.869  0 235 GLY   A HA3   1 c 
ATOM   2172 N N     . ILE   A 1 124 ? -6.297  1.689   1.697   1.000 9.303  0 236 ILE   A N     1 ? 
ATOM   2173 C CA    . ILE   A 1 124 ? -6.422  2.526   2.884   1.000 9.746  0 236 ILE   A CA    1 ? 
ATOM   2174 C C     . ILE   A 1 124 ? -6.051  3.948   2.479   1.000 9.773  0 236 ILE   A C     1 ? 
ATOM   2175 O O     . ILE   A 1 124 ? -4.955  4.165   1.974   1.000 10.545 0 236 ILE   A O     1 ? 
ATOM   2176 C CB    . ILE   A 1 124 ? -5.526  2.028   4.034   1.000 10.496 0 236 ILE   A CB    1 ? 
ATOM   2177 C CG1   . ILE   A 1 124 ? -5.752  0.550   4.349   1.000 11.101 0 236 ILE   A CG1   1 ? 
ATOM   2178 C CG2   . ILE   A 1 124 ? -5.711  2.897   5.277   1.000 10.736 0 236 ILE   A CG2   1 ? 
ATOM   2179 C CD1   . ILE   A 1 124 ? -4.619  -0.090  5.122   1.000 11.781 0 236 ILE   A CD1   1 ? 
ATOM   2180 H H     . ILE   A 1 124 ? -5.505  1.691   1.241   1.000 9.297  0 236 ILE   A H     1 c 
ATOM   2181 H HA    . ILE   A 1 124 ? -7.350  2.513   3.185   1.000 9.759  0 236 ILE   A HA    1 c 
ATOM   2182 H HB    . ILE   A 1 124 ? -4.597  2.124   3.744   1.000 10.483 0 236 ILE   A HB    1 c 
ATOM   2183 H HG12  . ILE   A 1 124 ? -6.576  0.462   4.869   1.000 11.061 0 236 ILE   A HG12  1 c 
ATOM   2184 H HG13  . ILE   A 1 124 ? -5.873  0.062   3.510   1.000 11.052 0 236 ILE   A HG13  1 c 
ATOM   2185 H HG21  . ILE   A 1 124 ? -5.149  2.563   5.996   1.000 10.703 0 236 ILE   A HG21  1 c 
ATOM   2186 H HG22  . ILE   A 1 124 ? -6.641  2.870   5.558   1.000 10.710 0 236 ILE   A HG22  1 c 
ATOM   2187 H HG23  . ILE   A 1 124 ? -5.463  3.814   5.076   1.000 10.690 0 236 ILE   A HG23  1 c 
ATOM   2188 H HD11  . ILE   A 1 124 ? -3.788  0.002   4.617   1.000 11.660 0 236 ILE   A HD11  1 c 
ATOM   2189 H HD12  . ILE   A 1 124 ? -4.812  -1.036  5.255   1.000 11.651 0 236 ILE   A HD12  1 c 
ATOM   2190 H HD13  . ILE   A 1 124 ? -4.521  0.347   5.989   1.000 11.701 0 236 ILE   A HD13  1 c 
ATOM   2191 N N     . SER   A 1 125 ? -6.961  4.902   2.703   1.000 9.622  0 237 SER   A N     1 ? 
ATOM   2192 C CA    . SER   A 1 125 ? -6.750  6.274   2.264   1.000 10.047 0 237 SER   A CA    1 ? 
ATOM   2193 C C     . SER   A 1 125 ? -7.276  7.255   3.306   1.000 9.408  0 237 SER   A C     1 ? 
ATOM   2194 O O     . SER   A 1 125 ? -8.040  6.886   4.206   1.000 9.249  0 237 SER   A O     1 ? 
ATOM   2195 C CB    . SER   A 1 125 ? -7.383  6.522   0.915   1.000 10.745 0 237 SER   A CB    1 ? 
ATOM   2196 O OG    . SER   A 1 125 ? -8.770  6.227   0.928   1.000 11.996 0 237 SER   A OG    1 ? 
ATOM   2197 H H     . SER   A 1 125 ? -7.734  4.693   3.143   1.000 9.699  0 237 SER   A H     1 c 
ATOM   2198 H HA    . SER   A 1 125 ? -5.775  6.422   2.176   1.000 9.961  0 237 SER   A HA    1 c 
ATOM   2199 H HB2   . SER   A 1 125 ? -7.255  7.457   0.668   1.000 10.805 0 237 SER   A HB2   1 c 
ATOM   2200 H HB3   . SER   A 1 125 ? -6.941  5.967   0.246   1.000 10.783 0 237 SER   A HB3   1 c 
ATOM   2201 H HG    . SER   A 1 125 ? -9.090  6.377   0.155   0.000 13.238 0 237 SER   A HG    1 c 
ATOM   2202 N N     . GLY   A 1 126 ? -6.838  8.511   3.168   1.000 9.285  0 238 GLY   A N     1 ? 
ATOM   2203 C CA    . GLY   A 1 126 ? -7.399  9.610   3.937   1.000 9.308  0 238 GLY   A CA    1 ? 
ATOM   2204 C C     . GLY   A 1 126 ? -6.452  10.126  5.014   1.000 9.167  0 238 GLY   A C     1 ? 
ATOM   2205 O O     . GLY   A 1 126 ? -5.234  9.982   4.916   1.000 9.186  0 238 GLY   A O     1 ? 
ATOM   2206 H H     . GLY   A 1 126 ? -6.167  8.687   2.573   1.000 9.322  0 238 GLY   A H     1 c 
ATOM   2207 H HA2   . GLY   A 1 126 ? -7.616  10.348  3.321   1.000 9.314  0 238 GLY   A HA2   1 c 
ATOM   2208 H HA3   . GLY   A 1 126 ? -8.240  9.314   4.357   1.000 9.292  0 238 GLY   A HA3   1 c 
ATOM   2209 N N     . ASP   A 1 127 ? -7.046  10.718  6.055   1.000 9.349  0 239 ASP   A N     1 ? 
ATOM   2210 C CA    . ASP   A 1 127 ? -6.349  11.670  6.907   1.000 9.603  0 239 ASP   A CA    1 ? 
ATOM   2211 C C     . ASP   A 1 127 ? -5.766  10.957  8.122   1.000 9.358  0 239 ASP   A C     1 ? 
ATOM   2212 O O     . ASP   A 1 127 ? -6.157  11.225  9.264   1.000 9.614  0 239 ASP   A O     1 ? 
ATOM   2213 C CB    . ASP   A 1 127 ? -7.281  12.822  7.233   1.000 10.104 0 239 ASP   A CB    1 ? 
ATOM   2214 C CG    . ASP   A 1 127 ? -7.741  13.576  5.996   1.000 10.481 0 239 ASP   A CG    1 ? 
ATOM   2215 O OD1   . ASP   A 1 127 ? -7.010  13.535  4.977   1.000 12.035 0 239 ASP   A OD1   1 ? 
ATOM   2216 O OD2   . ASP   A 1 127 ? -8.839  14.151  6.049   1.000 10.414 0 239 ASP   A OD2   1 ? 
ATOM   2217 H H     . ASP   A 1 127 ? -7.918  10.519  6.242   1.000 9.344  0 239 ASP   A H     1 c 
ATOM   2218 H HA    . ASP   A 1 127 ? -5.601  12.051  6.393   1.000 9.656  0 239 ASP   A HA    1 c 
ATOM   2219 H HB2   . ASP   A 1 127 ? -8.069  12.476  7.701   1.000 10.079 0 239 ASP   A HB2   1 c 
ATOM   2220 H HB3   . ASP   A 1 127 ? -6.822  13.449  7.831   1.000 10.073 0 239 ASP   A HB3   1 c 
ATOM   2221 N N     . ILE   A 1 128 ? -4.819  10.056  7.850   1.000 9.264  0 240 ILE   A N     1 ? 
ATOM   2222 C CA    . ILE   A 1 128 ? -4.166  9.246   8.869   1.000 9.444  0 240 ILE   A CA    1 ? 
ATOM   2223 C C     . ILE   A 1 128 ? -2.665  9.197   8.608   1.000 9.509  0 240 ILE   A C     1 ? 
ATOM   2224 O O     . ILE   A 1 128 ? -2.206  9.309   7.466   1.000 10.011 0 240 ILE   A O     1 ? 
ATOM   2225 C CB    . ILE   A 1 128 ? -4.738  7.815   8.903   1.000 9.768  0 240 ILE   A CB    1 ? 
ATOM   2226 C CG1   . ILE   A 1 128 ? -4.517  7.077   7.577   1.000 10.057 0 240 ILE   A CG1   1 ? 
ATOM   2227 C CG2   . ILE   A 1 128 ? -6.211  7.826   9.300   1.000 10.110 0 240 ILE   A CG2   1 ? 
ATOM   2228 C CD1   . ILE   A 1 128 ? -4.795  5.588   7.646   1.000 10.437 0 240 ILE   A CD1   1 ? 
ATOM   2229 H H     . ILE   A 1 128 ? -4.563  9.944   6.980   1.000 9.252  0 240 ILE   A H     1 c 
ATOM   2230 H HA    . ILE   A 1 128 ? -4.318  9.661   9.740   1.000 9.480  0 240 ILE   A HA    1 c 
ATOM   2231 H HB    . ILE   A 1 128 ? -4.251  7.323   9.594   1.000 9.787  0 240 ILE   A HB    1 c 
ATOM   2232 H HG12  . ILE   A 1 128 ? -5.098  7.474   6.897   1.000 10.072 0 240 ILE   A HG12  1 c 
ATOM   2233 H HG13  . ILE   A 1 128 ? -3.591  7.207   7.291   1.000 10.063 0 240 ILE   A HG13  1 c 
ATOM   2234 H HG21  . ILE   A 1 128 ? -6.544  6.914   9.350   1.000 10.052 0 240 ILE   A HG21  1 c 
ATOM   2235 H HG22  . ILE   A 1 128 ? -6.722  8.319   8.638   1.000 10.046 0 240 ILE   A HG22  1 c 
ATOM   2236 H HG23  . ILE   A 1 128 ? -6.311  8.252   10.168  1.000 10.065 0 240 ILE   A HG23  1 c 
ATOM   2237 H HD11  . ILE   A 1 128 ? -4.221  5.181   8.323   1.000 10.373 0 240 ILE   A HD11  1 c 
ATOM   2238 H HD12  . ILE   A 1 128 ? -4.607  5.184   6.778   1.000 10.388 0 240 ILE   A HD12  1 c 
ATOM   2239 H HD13  . ILE   A 1 128 ? -5.730  5.433   7.878   1.000 10.368 0 240 ILE   A HD13  1 c 
ATOM   2240 N N     . ASP   A 1 129 ? -1.921  8.992   9.698   1.000 9.568  0 241 ASP   A N     1 ? 
ATOM   2241 C CA    . ASP   A 1 129 ? -0.595  8.397   9.654   1.000 10.260 0 241 ASP   A CA    1 ? 
ATOM   2242 C C     . ASP   A 1 129 ? -0.786  6.893   9.822   1.000 9.869  0 241 ASP   A C     1 ? 
ATOM   2243 O O     . ASP   A 1 129 ? -1.289  6.448   10.847  1.000 10.401 0 241 ASP   A O     1 ? 
ATOM   2244 C CB    . ASP   A 1 129 ? 0.291   8.970   10.749  1.000 11.872 0 241 ASP   A CB    1 ? 
ATOM   2245 C CG    . ASP   A 1 129 ? 1.674   8.350   10.895  1.000 14.408 0 241 ASP   A CG    1 ? 
ATOM   2246 O OD1   . ASP   A 1 129 ? 2.056   7.534   10.031  1.000 17.266 0 241 ASP   A OD1   1 ? 
ATOM   2247 O OD2   . ASP   A 1 129 ? 2.356   8.691   11.879  1.000 17.912 0 241 ASP   A OD2   1 ? 
ATOM   2248 H H     . ASP   A 1 129 ? -2.259  9.238   10.510  1.000 9.661  0 241 ASP   A H     1 c 
ATOM   2249 H HA    . ASP   A 1 129 ? -0.190  8.583   8.778   1.000 10.261 0 241 ASP   A HA    1 c 
ATOM   2250 H HB2   . ASP   A 1 129 ? 0.407   9.929   10.583  1.000 11.853 0 241 ASP   A HB2   1 c 
ATOM   2251 H HB3   . ASP   A 1 129 ? -0.174  8.872   11.607  1.000 11.868 0 241 ASP   A HB3   1 c 
ATOM   2252 N N     . LEU   A 1 130 ? -0.420  6.123   8.798   1.000 9.725  0 242 LEU   A N     1 ? 
ATOM   2253 C CA    . LEU   A 1 130 ? -0.627  4.682   8.807   1.000 9.607  0 242 LEU   A CA    1 ? 
ATOM   2254 C C     . LEU   A 1 130 ? 0.645   4.008   9.314   1.000 9.838  0 242 LEU   A C     1 ? 
ATOM   2255 O O     . LEU   A 1 130 ? 1.721   4.236   8.754   1.000 10.448 0 242 LEU   A O     1 ? 
ATOM   2256 C CB    . LEU   A 1 130 ? -0.994  4.211   7.401   1.000 9.693  0 242 LEU   A CB    1 ? 
ATOM   2257 C CG    . LEU   A 1 130 ? -1.214  2.705   7.230   1.000 9.833  0 242 LEU   A CG    1 ? 
ATOM   2258 C CD1   . LEU   A 1 130 ? -2.353  2.194   8.088   1.000 9.817  0 242 LEU   A CD1   1 ? 
ATOM   2259 C CD2   . LEU   A 1 130 ? -1.479  2.384   5.771   1.000 9.833  0 242 LEU   A CD2   1 ? 
ATOM   2260 H H     . LEU   A 1 130 ? -0.027  6.505   8.068   1.000 9.743  0 242 LEU   A H     1 c 
ATOM   2261 H HA    . LEU   A 1 130 ? -1.373  4.475   9.425   1.000 9.659  0 242 LEU   A HA    1 c 
ATOM   2262 H HB2   . LEU   A 1 130 ? -1.817  4.677   7.127   1.000 9.700  0 242 LEU   A HB2   1 c 
ATOM   2263 H HB3   . LEU   A 1 130 ? -0.277  4.491   6.787   1.000 9.701  0 242 LEU   A HB3   1 c 
ATOM   2264 H HG    . LEU   A 1 130 ? -0.386  2.236   7.504   1.000 9.827  0 242 LEU   A HG    1 c 
ATOM   2265 H HD11  . LEU   A 1 130 ? -2.151  2.351   9.024   1.000 9.821  0 242 LEU   A HD11  1 c 
ATOM   2266 H HD12  . LEU   A 1 130 ? -2.469  1.241   7.938   1.000 9.815  0 242 LEU   A HD12  1 c 
ATOM   2267 H HD13  . LEU   A 1 130 ? -3.172  2.660   7.851   1.000 9.817  0 242 LEU   A HD13  1 c 
ATOM   2268 H HD21  . LEU   A 1 130 ? -0.719  2.663   5.233   1.000 9.830  0 242 LEU   A HD21  1 c 
ATOM   2269 H HD22  . LEU   A 1 130 ? -2.275  2.855   5.473   1.000 9.835  0 242 LEU   A HD22  1 c 
ATOM   2270 H HD23  . LEU   A 1 130 ? -1.612  1.426   5.668   1.000 9.832  0 242 LEU   A HD23  1 c 
ATOM   2271 N N     . THR   A 1 131 ? 0.496   3.156   10.337  1.000 9.870  0 243 THR   A N     1 ? 
ATOM   2272 C CA    . THR   A 1 131 ? 1.624   2.520   11.008  1.000 10.426 0 243 THR   A CA    1 ? 
ATOM   2273 C C     . THR   A 1 131 ? 1.781   1.068   10.548  1.000 10.304 0 243 THR   A C     1 ? 
ATOM   2274 O O     . THR   A 1 131 ? 2.896   0.638   10.265  1.000 11.458 0 243 THR   A O     1 ? 
ATOM   2275 C CB    . THR   A 1 131 ? 1.451   2.612   12.525  1.000 11.263 0 243 THR   A CB    1 ? 
ATOM   2276 O OG1   . THR   A 1 131 ? 1.315   3.996   12.839  1.000 12.116 0 243 THR   A OG1   1 ? 
ATOM   2277 C CG2   . THR   A 1 131 ? 2.633   2.026   13.274  1.000 12.034 0 243 THR   A CG2   1 ? 
ATOM   2278 H H     . THR   A 1 131 ? -0.347  2.971   10.634  1.000 9.946  0 243 THR   A H     1 c 
ATOM   2279 H HA    . THR   A 1 131 ? 2.441   3.009   10.767  1.000 10.416 0 243 THR   A HA    1 c 
ATOM   2280 H HB    . THR   A 1 131 ? 0.630   2.136   12.794  1.000 11.317 0 243 THR   A HB    1 c 
ATOM   2281 H HG1   . THR   A 1 131 ? 2.010   4.438   12.600  0.000 13.175 0 243 THR   A HG1   1 c 
ATOM   2282 H HG21  . THR   A 1 131 ? 2.497   2.137   14.230  1.000 11.930 0 243 THR   A HG21  1 c 
ATOM   2283 H HG22  . THR   A 1 131 ? 3.447   2.487   13.009  1.000 11.900 0 243 THR   A HG22  1 c 
ATOM   2284 H HG23  . THR   A 1 131 ? 2.715   1.080   13.068  1.000 11.895 0 243 THR   A HG23  1 c 
ATOM   2285 N N     A SER   A 1 132 ? 0.685   0.310   10.501  0.500 10.139 0 244 SER   A N     1 ? 
ATOM   2286 N N     B SER   A 1 132 ? 0.659   0.333   10.475  0.500 10.182 0 244 SER   A N     1 ? 
ATOM   2287 C CA    A SER   A 1 132 ? 0.756   -1.054  9.998   0.500 10.232 0 244 SER   A CA    1 ? 
ATOM   2288 C CA    B SER   A 1 132 ? 0.654   -1.107  10.232  0.500 10.363 0 244 SER   A CA    1 ? 
ATOM   2289 C C     A SER   A 1 132 ? -0.613  -1.520  9.520   0.500 9.890  0 244 SER   A C     1 ? 
ATOM   2290 C C     B SER   A 1 132 ? -0.648  -1.530  9.545   0.500 9.932  0 244 SER   A C     1 ? 
ATOM   2291 O O     A SER   A 1 132 ? -1.650  -0.998  9.923   0.500 10.000 0 244 SER   A O     1 ? 
ATOM   2292 O O     B SER   A 1 132 ? -1.706  -0.973  9.831   0.500 9.863  0 244 SER   A O     1 ? 
ATOM   2293 C CB    A SER   A 1 132 ? 1.321   -1.996  11.027  0.500 10.680 0 244 SER   A CB    1 ? 
ATOM   2294 C CB    B SER   A 1 132 ? 0.845   -1.846  11.540  0.500 10.668 0 244 SER   A CB    1 ? 
ATOM   2295 O OG    A SER   A 1 132 ? 0.448   -2.104  12.140  0.500 11.230 0 244 SER   A OG    1 ? 
ATOM   2296 O OG    B SER   A 1 132 ? 0.918   -3.253  11.358  0.500 11.427 0 244 SER   A OG    1 ? 
ATOM   2297 H H     A SER   A 1 132 ? -0.117  0.641   10.788  0.500 10.173 0 244 SER   A H     1 c 
ATOM   2298 H H     B SER   A 1 132 ? -0.144  0.753   10.589  0.500 10.223 0 244 SER   A H     1 c 
ATOM   2299 H HA    A SER   A 1 132 ? 1.365   -1.057  9.218   0.500 10.242 0 244 SER   A HA    1 c 
ATOM   2300 H HA    B SER   A 1 132 ? 1.410   -1.326  9.630   0.500 10.329 0 244 SER   A HA    1 c 
ATOM   2301 H HB2   A SER   A 1 132 ? 1.446   -2.877  10.626  0.500 10.676 0 244 SER   A HB2   1 c 
ATOM   2302 H HB2   B SER   A 1 132 ? 1.666   -1.535  11.966  0.500 10.732 0 244 SER   A HB2   1 c 
ATOM   2303 H HB3   A SER   A 1 132 ? 2.190   -1.669  11.326  0.500 10.680 0 244 SER   A HB3   1 c 
ATOM   2304 H HB3   B SER   A 1 132 ? 0.101   -1.641  12.134  0.500 10.709 0 244 SER   A HB3   1 c 
ATOM   2305 H HG    A SER   A 1 132 ? 0.784   -2.630  12.711  0.000 12.562 0 244 SER   A HG    1 c 
ATOM   2306 H HG    B SER   A 1 132 ? 1.023   -3.627  12.127  0.000 12.744 0 244 SER   A HG    1 c 
ATOM   2307 N N     . ALA   A 1 133 ? -0.567  -2.519  8.643   1.000 9.838  0 245 ALA   A N     1 ? 
ATOM   2308 C CA    . ALA   A 1 133 ? -1.738  -3.124  8.029   1.000 10.101 0 245 ALA   A CA    1 ? 
ATOM   2309 C C     . ALA   A 1 133 ? -1.406  -4.593  7.819   1.000 10.402 0 245 ALA   A C     1 ? 
ATOM   2310 O O     . ALA   A 1 133 ? -0.447  -4.901  7.114   1.000 11.363 0 245 ALA   A O     1 ? 
ATOM   2311 C CB    . ALA   A 1 133 ? -2.066  -2.438  6.720   1.000 10.365 0 245 ALA   A CB    1 ? 
ATOM   2312 H H     . ALA   A 1 133 ? 0.255   -2.840  8.404   1.000 9.890  0 245 ALA   A H     1 c 
ATOM   2313 H HA    . ALA   A 1 133 ? -2.510  -3.050  8.654   1.000 10.133 0 245 ALA   A HA    1 c 
ATOM   2314 H HB1   . ALA   A 1 133 ? -2.247  -1.497  6.880   1.000 10.327 0 245 ALA   A HB1   1 c 
ATOM   2315 H HB2   . ALA   A 1 133 ? -1.314  -2.522  6.110   1.000 10.339 0 245 ALA   A HB2   1 c 
ATOM   2316 H HB3   . ALA   A 1 133 ? -2.850  -2.853  6.321   1.000 10.329 0 245 ALA   A HB3   1 c 
ATOM   2317 N N     . SER   A 1 134 ? -2.157  -5.483  8.470   1.000 10.504 0 246 SER   A N     1 ? 
ATOM   2318 C CA    . SER   A 1 134 ? -1.825  -6.900  8.459   1.000 11.024 0 246 SER   A CA    1 ? 
ATOM   2319 C C     . SER   A 1 134 ? -3.087  -7.727  8.675   1.000 10.940 0 246 SER   A C     1 ? 
ATOM   2320 O O     . SER   A 1 134 ? -4.155  -7.172  8.924   1.000 11.033 0 246 SER   A O     1 ? 
ATOM   2321 C CB    . SER   A 1 134 ? -0.772  -7.209  9.493   1.000 11.829 0 246 SER   A CB    1 ? 
ATOM   2322 O OG    . SER   A 1 134 ? -1.282  -7.007  10.800  1.000 13.003 0 246 SER   A OG    1 ? 
ATOM   2323 H H     . SER   A 1 134 ? -2.894  -5.204  8.933   1.000 10.553 0 246 SER   A H     1 c 
ATOM   2324 H HA    . SER   A 1 134 ? -1.459  -7.126  7.566   1.000 11.020 0 246 SER   A HA    1 c 
ATOM   2325 H HB2   . SER   A 1 134 ? -0.483  -8.136  9.395   1.000 11.818 0 246 SER   A HB2   1 c 
ATOM   2326 H HB3   . SER   A 1 134 ? 0.001   -6.630  9.352   1.000 11.838 0 246 SER   A HB3   1 c 
ATOM   2327 H HG    . SER   A 1 134 ? -0.675  -7.181  11.363  0.000 14.249 0 246 SER   A HG    1 c 
ATOM   2328 N N     . TYR   A 1 135 ? -2.949  -9.051  8.549   1.000 11.260 0 247 TYR   A N     1 ? 
ATOM   2329 C CA    . TYR   A 1 135 ? -4.062  -9.967  8.759   1.000 11.798 0 247 TYR   A CA    1 ? 
ATOM   2330 C C     . TYR   A 1 135 ? -3.569  -11.237 9.449   1.000 12.409 0 247 TYR   A C     1 ? 
ATOM   2331 O O     . TYR   A 1 135 ? -2.382  -11.553 9.431   1.000 12.748 0 247 TYR   A O     1 ? 
ATOM   2332 C CB    . TYR   A 1 135 ? -4.768  -10.288 7.436   1.000 12.114 0 247 TYR   A CB    1 ? 
ATOM   2333 C CG    . TYR   A 1 135 ? -3.832  -10.537 6.263   1.000 12.365 0 247 TYR   A CG    1 ? 
ATOM   2334 C CD1   . TYR   A 1 135 ? -3.125  -11.726 6.152   1.000 12.347 0 247 TYR   A CD1   1 ? 
ATOM   2335 C CD2   . TYR   A 1 135 ? -3.649  -9.577  5.275   1.000 12.403 0 247 TYR   A CD2   1 ? 
ATOM   2336 C CE1   . TYR   A 1 135 ? -2.260  -11.953 5.092   1.000 12.271 0 247 TYR   A CE1   1 ? 
ATOM   2337 C CE2   . TYR   A 1 135 ? -2.790  -9.792  4.210   1.000 12.679 0 247 TYR   A CE2   1 ? 
ATOM   2338 C CZ    . TYR   A 1 135 ? -2.088  -10.980 4.123   1.000 12.542 0 247 TYR   A CZ    1 ? 
ATOM   2339 O OH    . TYR   A 1 135 ? -1.235  -11.195 3.078   1.000 13.025 0 247 TYR   A OH    1 ? 
ATOM   2340 H H     . TYR   A 1 135 ? -2.134  -9.395  8.321   1.000 11.279 0 247 TYR   A H     1 c 
ATOM   2341 H HA    . TYR   A 1 135 ? -4.716  -9.524  9.358   1.000 11.817 0 247 TYR   A HA    1 c 
ATOM   2342 H HB2   . TYR   A 1 135 ? -5.329  -11.084 7.567   1.000 12.084 0 247 TYR   A HB2   1 c 
ATOM   2343 H HB3   . TYR   A 1 135 ? -5.362  -9.538  7.212   1.000 12.087 0 247 TYR   A HB3   1 c 
ATOM   2344 H HD1   . TYR   A 1 135 ? -3.229  -12.392 6.813   1.000 12.328 0 247 TYR   A HD1   1 c 
ATOM   2345 H HD2   . TYR   A 1 135 ? -4.118  -8.760  5.332   1.000 12.436 0 247 TYR   A HD2   1 c 
ATOM   2346 H HE1   . TYR   A 1 135 ? -1.785  -12.764 5.035   1.000 12.318 0 247 TYR   A HE1   1 c 
ATOM   2347 H HE2   . TYR   A 1 135 ? -2.675  -9.127  3.554   1.000 12.586 0 247 TYR   A HE2   1 c 
ATOM   2348 H HH    . TYR   A 1 135 ? -1.654  -11.558 2.429   0.000 13.786 0 247 TYR   A HH    1 c 
ATOM   2349 N N     . THR   A 1 136 ? -4.517  -11.951 10.060  1.000 12.641 0 248 THR   A N     1 ? 
ATOM   2350 C CA    . THR   A 1 136 ? -4.276  -13.256 10.658  1.000 13.328 0 248 THR   A CA    1 ? 
ATOM   2351 C C     . THR   A 1 136 ? -5.589  -14.031 10.620  1.000 13.313 0 248 THR   A C     1 ? 
ATOM   2352 O O     . THR   A 1 136 ? -6.626  -13.464 10.300  1.000 13.380 0 248 THR   A O     1 ? 
ATOM   2353 C CB    . THR   A 1 136 ? -3.739  -13.096 12.083  1.000 14.296 0 248 THR   A CB    1 ? 
ATOM   2354 O OG1   . THR   A 1 136 ? -3.253  -14.370 12.501  1.000 15.790 0 248 THR   A OG1   1 ? 
ATOM   2355 C CG2   . THR   A 1 136 ? -4.787  -12.590 13.058  1.000 14.531 0 248 THR   A CG2   1 ? 
ATOM   2356 H H     . THR   A 1 136 ? -5.360  -11.601 10.107  1.000 12.702 0 248 THR   A H     1 c 
ATOM   2357 H HA    . THR   A 1 136 ? -3.606  -13.732 10.120  1.000 13.329 0 248 THR   A HA    1 c 
ATOM   2358 H HB    . THR   A 1 136 ? -2.987  -12.458 12.073  1.000 14.351 0 248 THR   A HB    1 c 
ATOM   2359 H HG1   . THR   A 1 136 ? -3.871  -14.960 12.513  0.000 17.736 0 248 THR   A HG1   1 c 
ATOM   2360 H HG21  . THR   A 1 136 ? -4.383  -12.474 13.935  1.000 14.495 0 248 THR   A HG21  1 c 
ATOM   2361 H HG22  . THR   A 1 136 ? -5.513  -13.233 13.122  1.000 14.495 0 248 THR   A HG22  1 c 
ATOM   2362 H HG23  . THR   A 1 136 ? -5.135  -11.738 12.748  1.000 14.499 0 248 THR   A HG23  1 c 
ATOM   2363 N N     . MET   A 1 137 ? -5.527  -15.325 10.943  1.000 13.744 0 249 MET   A N     1 ? 
ATOM   2364 C CA    . MET   A 1 137 ? -6.716  -16.154 11.089  1.000 14.559 0 249 MET   A CA    1 ? 
ATOM   2365 C C     . MET   A 1 137 ? -6.945  -16.401 12.578  1.000 15.357 0 249 MET   A C     1 ? 
ATOM   2366 O O     . MET   A 1 137 ? -6.014  -16.809 13.274  1.000 16.498 0 249 MET   A O     1 ? 
ATOM   2367 C CB    . MET   A 1 137 ? -6.535  -17.500 10.379  1.000 15.797 0 249 MET   A CB    1 ? 
ATOM   2368 C CG    . MET   A 1 137 ? -6.263  -17.384 8.898   1.000 16.774 0 249 MET   A CG    1 ? 
ATOM   2369 S SD    . MET   A 1 137 ? -7.648  -16.666 7.994   1.000 18.593 0 249 MET   A SD    1 ? 
ATOM   2370 C CE    . MET   A 1 137 ? -6.961  -16.627 6.333   1.000 19.146 0 249 MET   A CE    1 ? 
ATOM   2371 H H     . MET   A 1 137 ? -4.708  -15.707 11.078  1.000 13.737 0 249 MET   A H     1 c 
ATOM   2372 H HA    . MET   A 1 137 ? -7.492  -15.674 10.711  1.000 14.626 0 249 MET   A HA    1 c 
ATOM   2373 H HB2   . MET   A 1 137 ? -5.791  -17.978 10.803  1.000 15.712 0 249 MET   A HB2   1 c 
ATOM   2374 H HB3   . MET   A 1 137 ? -7.347  -18.034 10.512  1.000 15.726 0 249 MET   A HB3   1 c 
ATOM   2375 H HG2   . MET   A 1 137 ? -5.471  -16.828 8.756   1.000 16.780 0 249 MET   A HG2   1 c 
ATOM   2376 H HG3   . MET   A 1 137 ? -6.075  -18.272 8.533   1.000 16.814 0 249 MET   A HG3   1 c 
ATOM   2377 H HE1   . MET   A 1 137 ? -7.608  -16.228 5.723   1.000 18.975 0 249 MET   A HE1   1 c 
ATOM   2378 H HE2   . MET   A 1 137 ? -6.144  -16.094 6.332   1.000 19.026 0 249 MET   A HE2   1 c 
ATOM   2379 H HE3   . MET   A 1 137 ? -6.757  -17.536 6.044   1.000 19.076 0 249 MET   A HE3   1 c 
ATOM   2380 N N     . ILE   A 1 138 ? -8.170  -16.152 13.062  1.000 15.295 0 250 ILE   A N     1 ? 
ATOM   2381 C CA    . ILE   A 1 138 ? -8.498  -16.371 14.470  1.000 16.600 0 250 ILE   A CA    1 ? 
ATOM   2382 C C     . ILE   A 1 138 ? -8.884  -17.844 14.692  1.000 17.769 0 250 ILE   A C     1 ? 
ATOM   2383 O O     . ILE   A 1 138 ? -8.922  -18.249 15.872  1.000 18.765 0 250 ILE   A O     1 ? 
ATOM   2384 C CB    . ILE   A 1 138 ? -9.612  -15.430 14.975  1.000 17.148 0 250 ILE   A CB    1 ? 
ATOM   2385 C CG1   . ILE   A 1 138 ? -10.973 -15.731 14.331  1.000 17.017 0 250 ILE   A CG1   1 ? 
ATOM   2386 C CG2   . ILE   A 1 138 ? -9.210  -13.965 14.812  1.000 17.630 0 250 ILE   A CG2   1 ? 
ATOM   2387 C CD1   . ILE   A 1 138 ? -12.152 -15.096 15.045  1.000 17.522 0 250 ILE   A CD1   1 ? 
ATOM   2388 O OXT   . ILE   A 1 138 ? -9.164  -18.535 13.694  1.000 19.966 0 250 ILE   A OXT   1 ? 
ATOM   2389 H H     . ILE   A 1 138 ? -8.818  -15.835 12.501  1.000 15.409 0 250 ILE   A H     1 c 
ATOM   2390 H HA    . ILE   A 1 138 ? -7.696  -16.187 14.998  1.000 16.568 0 250 ILE   A HA    1 c 
ATOM   2391 H HB    . ILE   A 1 138 ? -9.712  -15.596 15.934  1.000 17.127 0 250 ILE   A HB    1 c 
ATOM   2392 H HG12  . ILE   A 1 138 ? -10.959 -15.411 13.406  1.000 16.927 0 250 ILE   A HG12  1 c 
ATOM   2393 H HG13  . ILE   A 1 138 ? -11.106 -16.700 14.309  1.000 17.090 0 250 ILE   A HG13  1 c 
ATOM   2394 H HG21  . ILE   A 1 138 ? -9.918  -13.391 15.150  1.000 17.553 0 250 ILE   A HG21  1 c 
ATOM   2395 H HG22  . ILE   A 1 138 ? -9.060  -13.770 13.872  1.000 17.532 0 250 ILE   A HG22  1 c 
ATOM   2396 H HG23  . ILE   A 1 138 ? -8.393  -13.794 15.311  1.000 17.573 0 250 ILE   A HG23  1 c 
ATOM   2397 H HD11  . ILE   A 1 138 ? -12.181 -15.410 15.969  1.000 17.477 0 250 ILE   A HD11  1 c 
ATOM   2398 H HD12  . ILE   A 1 138 ? -12.980 -15.348 14.593  1.000 17.461 0 250 ILE   A HD12  1 c 
ATOM   2399 H HD13  . ILE   A 1 138 ? -12.062 -14.124 15.036  1.000 17.454 0 250 ILE   A HD13  1 c 
HETATM 2400 N N1    . A1H2P B 2 .   ? -28.326 7.831   0.654   1.000 13.911 0 301 A1H2P A N1    1 ? 
HETATM 2401 N N3    . A1H2P B 2 .   ? -23.591 8.444   -3.582  1.000 11.021 0 301 A1H2P A N3    1 ? 
HETATM 2402 C C4    . A1H2P B 2 .   ? -24.968 8.143   -3.158  1.000 11.493 0 301 A1H2P A C4    1 ? 
HETATM 2403 C C6    . A1H2P B 2 .   ? -27.736 6.844   -0.180  1.000 12.442 0 301 A1H2P A C6    1 ? 
HETATM 2404 C C7    . A1H2P B 2 .   ? -25.049 6.714   -2.670  1.000 11.333 0 301 A1H2P A C7    1 ? 
HETATM 2405 C C8    . A1H2P B 2 .   ? -26.831 8.716   -1.625  1.000 12.200 0 301 A1H2P A C8    1 ? 
HETATM 2406 C C17   . A1H2P B 2 .   ? -12.765 8.759   -0.421  1.000 10.278 0 301 A1H2P A C17   1 ? 
HETATM 2407 C C20   . A1H2P B 2 .   ? -12.827 8.820   0.963   1.000 10.391 0 301 A1H2P A C20   1 ? 
HETATM 2408 C C21   . A1H2P B 2 .   ? -11.665 9.022   1.677   1.000 10.647 0 301 A1H2P A C21   1 ? 
HETATM 2409 C C22   . A1H2P B 2 .   ? -10.453 9.152   1.034   1.000 11.564 0 301 A1H2P A C22   1 ? 
HETATM 2410 C C24   . A1H2P B 2 .   ? -17.756 11.863  -2.368  1.000 12.533 0 301 A1H2P A C24   1 ? 
HETATM 2411 C C26   . A1H2P B 2 .   ? -20.210 6.119   -0.371  1.000 9.029  0 301 A1H2P A C26   1 ? 
HETATM 2412 C C28   . A1H2P B 2 .   ? -22.527 8.633   -2.826  1.000 10.932 0 301 A1H2P A C28   1 ? 
HETATM 2413 C C1    . A1H2P B 2 .   ? -30.495 6.854   1.134   1.000 14.773 0 301 A1H2P A C1    1 ? 
HETATM 2414 C C2    . A1H2P B 2 .   ? -29.252 7.523   1.738   1.000 14.396 0 301 A1H2P A C2    1 ? 
HETATM 2415 C C3    . A1H2P B 2 .   ? -29.623 8.861   2.396   1.000 15.075 0 301 A1H2P A C3    1 ? 
HETATM 2416 C CAB   . A1H2P B 2 .   ? -28.578 6.597   2.755   1.000 14.677 0 301 A1H2P A CAB   1 ? 
HETATM 2417 N NAA   . A1H2P B 2 .   ? -26.870 7.306   -1.201  1.000 11.755 0 301 A1H2P A NAA   1 ? 
HETATM 2418 C CAA   . A1H2P B 2 .   ? -26.468 6.392   -2.271  1.000 11.542 0 301 A1H2P A CAA   1 ? 
HETATM 2419 C C9    . A1H2P B 2 .   ? -25.430 9.085   -2.064  1.000 11.866 0 301 A1H2P A C9    1 ? 
HETATM 2420 N N4    . A1H2P B 2 .   ? -23.287 8.545   -4.843  1.000 11.990 0 301 A1H2P A N4    1 ? 
HETATM 2421 N N2    . A1H2P B 2 .   ? -22.005 8.820   -4.910  1.000 11.966 0 301 A1H2P A N2    1 ? 
HETATM 2422 C C11   . A1H2P B 2 .   ? -21.474 8.879   -3.667  1.000 11.045 0 301 A1H2P A C11   1 ? 
HETATM 2423 C "C1'" . A1H2P B 2 .   ? -20.019 9.181   -3.491  1.000 10.610 0 301 A1H2P A "C1'" 1 ? 
HETATM 2424 C "C2'" . A1H2P B 2 .   ? -19.653 9.426   -2.016  1.000 10.141 0 301 A1H2P A "C2'" 1 ? 
HETATM 2425 C "C3'" . A1H2P B 2 .   ? -18.140 9.558   -1.857  1.000 10.211 0 301 A1H2P A "C3'" 1 ? 
HETATM 2426 C "C4'" . A1H2P B 2 .   ? -17.467 8.219   -2.099  1.000 9.517  0 301 A1H2P A "C4'" 1 ? 
HETATM 2427 N N6    . A1H2P B 2 .   ? -16.015 8.306   -1.874  1.000 9.694  0 301 A1H2P A N6    1 ? 
HETATM 2428 N N7    . A1H2P B 2 .   ? -15.246 7.897   -2.850  1.000 10.221 0 301 A1H2P A N7    1 ? 
HETATM 2429 N N8    . A1H2P B 2 .   ? -14.007 8.017   -2.449  1.000 10.291 0 301 A1H2P A N8    1 ? 
HETATM 2430 C C16   . A1H2P B 2 .   ? -13.995 8.513   -1.202  1.000 10.103 0 301 A1H2P A C16   1 ? 
HETATM 2431 C C18   . A1H2P B 2 .   ? -11.551 8.872   -1.073  1.000 11.242 0 301 A1H2P A C18   1 ? 
HETATM 2432 C C19   . A1H2P B 2 .   ? -10.402 9.077   -0.341  1.000 11.545 0 301 A1H2P A C19   1 ? 
HETATM 2433 F F1    . A1H2P B 2 .   ? -9.188  9.217   -0.957  1.000 13.179 0 301 A1H2P A F1    1 ? 
HETATM 2434 F F2    . A1H2P B 2 .   ? -11.718 9.089   3.042   1.000 11.062 0 301 A1H2P A F2    1 ? 
HETATM 2435 F F3    . A1H2P B 2 .   ? -9.303  9.354   1.756   1.000 13.925 0 301 A1H2P A F3    1 ? 
HETATM 2436 C C23   . A1H2P B 2 .   ? -15.300 8.682   -0.826  1.000 9.856  0 301 A1H2P A C23   1 ? 
HETATM 2437 O "O3'" . A1H2P B 2 .   ? -17.622 10.505  -2.780  1.000 11.519 0 301 A1H2P A "O3'" 1 ? 
HETATM 2438 O "O2'" . A1H2P B 2 .   ? -20.140 8.377   -1.161  1.000 9.387  0 301 A1H2P A "O2'" 1 ? 
HETATM 2439 C C25   . A1H2P B 2 .   ? -19.565 7.084   -1.355  1.000 9.163  0 301 A1H2P A C25   1 ? 
HETATM 2440 O OP3   . A1H2P B 2 .   ? -21.595 5.962   -0.704  1.000 9.135  0 301 A1H2P A OP3   1 ? 
HETATM 2441 C "C5'" . A1H2P B 2 .   ? -18.059 7.168   -1.167  1.000 9.020  0 301 A1H2P A "C5'" 1 ? 
HETATM 2442 O "O5'" . A1H2P B 2 .   ? -17.761 7.509   0.196   1.000 8.880  0 301 A1H2P A "O5'" 1 ? 
HETATM 2443 O O6    . A1H2P B 2 .   ? -27.941 5.649   -0.068  1.000 11.867 0 301 A1H2P A O6    1 ? 
HETATM 2444 H H10   . A1H2P B 2 .   ? -28.112 8.801   0.496   1.000 13.675 0 301 A1H2P A H10   1 c 
HETATM 2445 H H19   . A1H2P B 2 .   ? -25.648 8.254   -4.015  1.000 11.468 0 301 A1H2P A H19   1 c 
HETATM 2446 H H14   . A1H2P B 2 .   ? -24.386 6.579   -1.813  1.000 11.350 0 301 A1H2P A H14   1 c 
HETATM 2447 H H13   . A1H2P B 2 .   ? -24.727 6.035   -3.462  1.000 11.364 0 301 A1H2P A H13   1 c 
HETATM 2448 H H16   . A1H2P B 2 .   ? -27.521 8.859   -2.459  1.000 12.124 0 301 A1H2P A H16   1 c 
HETATM 2449 H H15   . A1H2P B 2 .   ? -27.138 9.382   -0.819  1.000 12.146 0 301 A1H2P A H15   1 c 
HETATM 2450 H H26   . A1H2P B 2 .   ? -13.774 8.711   1.476   1.000 10.416 0 301 A1H2P A H26   1 c 
HETATM 2451 H H29   . A1H2P B 2 .   ? -17.329 12.494  -3.104  1.000 12.369 0 301 A1H2P A H29   1 c 
HETATM 2452 H H30   . A1H2P B 2 .   ? -17.251 12.006  -1.448  1.000 12.387 0 301 A1H2P A H30   1 c 
HETATM 2453 H H28   . A1H2P B 2 .   ? -18.779 12.104  -2.251  1.000 12.334 0 301 A1H2P A H28   1 c 
HETATM 2454 H H32   . A1H2P B 2 .   ? -20.116 6.508   0.645   1.000 9.078  0 301 A1H2P A H32   1 c 
HETATM 2455 H H33   . A1H2P B 2 .   ? -19.705 5.152   -0.417  1.000 9.059  0 301 A1H2P A H33   1 c 
HETATM 2456 H H37   . A1H2P B 2 .   ? -22.495 8.605   -1.745  1.000 10.946 0 301 A1H2P A H37   1 c 
HETATM 2457 H H1    . A1H2P B 2 .   ? -30.407 6.825   0.080   1.000 14.719 0 301 A1H2P A H1    1 c 
HETATM 2458 H H2    . A1H2P B 2 .   ? -31.360 7.404   1.396   1.000 14.716 0 301 A1H2P A H2    1 c 
HETATM 2459 H H3    . A1H2P B 2 .   ? -30.585 5.868   1.504   1.000 14.708 0 301 A1H2P A H3    1 c 
HETATM 2460 H H6    . A1H2P B 2 .   ? -30.667 9.014   2.331   1.000 14.961 0 301 A1H2P A H6    1 c 
HETATM 2461 H H5    . A1H2P B 2 .   ? -29.337 8.850   3.414   1.000 14.994 0 301 A1H2P A H5    1 c 
HETATM 2462 H H4    . A1H2P B 2 .   ? -29.124 9.653   1.904   1.000 14.958 0 301 A1H2P A H4    1 c 
HETATM 2463 H H8    . A1H2P B 2 .   ? -29.070 5.660   2.769   1.000 14.617 0 301 A1H2P A H8    1 c 
HETATM 2464 H H9    . A1H2P B 2 .   ? -28.625 7.030   3.719   1.000 14.606 0 301 A1H2P A H9    1 c 
HETATM 2465 H H7    . A1H2P B 2 .   ? -27.578 6.459   2.489   1.000 14.485 0 301 A1H2P A H7    1 c 
HETATM 2466 H H11   . A1H2P B 2 .   ? -26.529 5.357   -1.934  1.000 11.534 0 301 A1H2P A H11   1 c 
HETATM 2467 H H12   . A1H2P B 2 .   ? -27.128 6.510   -3.133  1.000 11.555 0 301 A1H2P A H12   1 c 
HETATM 2468 H H18   . A1H2P B 2 .   ? -25.419 10.112  -2.434  1.000 11.844 0 301 A1H2P A H18   1 c 
HETATM 2469 H H17   . A1H2P B 2 .   ? -24.751 9.024   -1.211  1.000 11.850 0 301 A1H2P A H17   1 c 
HETATM 2470 H H20   . A1H2P B 2 .   ? -19.767 10.069  -4.074  1.000 10.596 0 301 A1H2P A H20   1 c 
HETATM 2471 H H21   . A1H2P B 2 .   ? -19.433 8.349   -3.882  1.000 10.573 0 301 A1H2P A H21   1 c 
HETATM 2472 H H22   . A1H2P B 2 .   ? -20.116 10.373  -1.704  1.000 10.105 0 301 A1H2P A H22   1 c 
HETATM 2473 H H23   . A1H2P B 2 .   ? -17.922 9.881   -0.829  1.000 10.217 0 301 A1H2P A H23   1 c 
HETATM 2474 H H24   . A1H2P B 2 .   ? -17.653 7.913   -3.137  1.000 9.555  0 301 A1H2P A H24   1 c 
HETATM 2475 H H25   . A1H2P B 2 .   ? -11.504 8.809   -2.151  1.000 11.344 0 301 A1H2P A H25   1 c 
HETATM 2476 H H27   . A1H2P B 2 .   ? -15.670 9.046   0.124   1.000 9.923  0 301 A1H2P A H27   1 c 
HETATM 2477 H H31   . A1H2P B 2 .   ? -19.770 6.730   -2.375  1.000 9.170  0 301 A1H2P A H31   1 c 
HETATM 2478 H H34   . A1H2P B 2 .   ? -22.036 6.822   -0.653  0.000 9.191  0 301 A1H2P A H34   1 c 
HETATM 2479 H H35   . A1H2P B 2 .   ? -17.618 6.192   -1.413  1.000 9.086  0 301 A1H2P A H35   1 c 
HETATM 2480 H H36   . A1H2P B 2 .   ? -18.155 8.367   0.404   0.000 8.748  0 301 A1H2P A H36   1 c 
HETATM 2481 O O1    . 2PE   C 3 .   ? -7.790  13.280  -3.300  1.000 26.893 0 302 2PE   A O1    1 ? 
HETATM 2482 C C2    . 2PE   C 3 .   ? -7.064  12.299  -4.014  1.000 26.278 0 302 2PE   A C2    1 ? 
HETATM 2483 C C3    . 2PE   C 3 .   ? -7.809  11.007  -4.121  1.000 26.227 0 302 2PE   A C3    1 ? 
HETATM 2484 O O4    . 2PE   C 3 .   ? -9.085  11.234  -4.710  1.000 26.277 0 302 2PE   A O4    1 ? 
HETATM 2485 C C5    . 2PE   C 3 .   ? -9.874  10.054  -4.820  1.000 25.712 0 302 2PE   A C5    1 ? 
HETATM 2486 C C6    . 2PE   C 3 .   ? -11.154 10.215  -4.061  1.000 25.456 0 302 2PE   A C6    1 ? 
HETATM 2487 O O7    . 2PE   C 3 .   ? -12.133 10.869  -4.863  1.000 26.126 0 302 2PE   A O7    1 ? 
HETATM 2488 C C8    . 2PE   C 3 .   ? -13.453 10.368  -4.664  1.000 25.357 0 302 2PE   A C8    1 ? 
HETATM 2489 C C9    . 2PE   C 3 .   ? -14.249 11.292  -3.788  1.000 25.376 0 302 2PE   A C9    1 ? 
HETATM 2490 O O10   . 2PE   C 3 .   ? -13.560 12.524  -3.613  1.000 25.959 0 302 2PE   A O10   1 ? 
HETATM 2491 C C11   . 2PE   C 3 .   ? -14.404 13.574  -3.154  1.000 25.474 0 302 2PE   A C11   1 ? 
HETATM 2492 C C12   . 2PE   C 3 .   ? -13.594 14.818  -2.970  1.000 25.686 0 302 2PE   A C12   1 ? 
HETATM 2493 H HO1   . 2PE   C 3 .   ? -7.377  13.977  -3.248  0.000 20.000 0 302 2PE   A HO1   1 c 
HETATM 2494 H H21   . 2PE   C 3 .   ? -6.211  12.139  -3.558  1.000 26.328 0 302 2PE   A H21   1 c 
HETATM 2495 H H22   . 2PE   C 3 .   ? -6.873  12.635  -4.914  1.000 26.305 0 302 2PE   A H22   1 c 
HETATM 2496 H H31   . 2PE   C 3 .   ? -7.922  10.615  -3.229  1.000 26.203 0 302 2PE   A H31   1 c 
HETATM 2497 H H32   . 2PE   C 3 .   ? -7.299  10.375  -4.672  1.000 26.163 0 302 2PE   A H32   1 c 
HETATM 2498 H H51   . 2PE   C 3 .   ? -9.376  9.286   -4.462  1.000 25.722 0 302 2PE   A H51   1 c 
HETATM 2499 H H52   . 2PE   C 3 .   ? -10.072 9.877   -5.765  1.000 25.714 0 302 2PE   A H52   1 c 
HETATM 2500 H H61   . 2PE   C 3 .   ? -10.992 10.737  -3.246  1.000 25.251 0 302 2PE   A H61   1 c 
HETATM 2501 H H62   . 2PE   C 3 .   ? -11.484 9.332   -3.799  1.000 24.991 0 302 2PE   A H62   1 c 
HETATM 2502 H H81   . 2PE   C 3 .   ? -13.412 9.481   -4.251  1.000 24.902 0 302 2PE   A H81   1 c 
HETATM 2503 H H82   . 2PE   C 3 .   ? -13.901 10.277  -5.532  1.000 25.370 0 302 2PE   A H82   1 c 
HETATM 2504 H H91   . 2PE   C 3 .   ? -14.396 10.871  -2.913  1.000 25.424 0 302 2PE   A H91   1 c 
HETATM 2505 H H92   . 2PE   C 3 .   ? -15.124 11.459  -4.199  1.000 25.430 0 302 2PE   A H92   1 c 
HETATM 2506 H H111  . 2PE   C 3 .   ? -14.819 13.319  -2.302  1.000 25.503 0 302 2PE   A H111  1 c 
HETATM 2507 H H112  . 2PE   C 3 .   ? -15.117 13.738  -3.809  1.000 25.541 0 302 2PE   A H112  1 c 
HETATM 2508 H H121  . 2PE   C 3 .   ? -14.200 15.585  -2.897  0.000 0.500  0 302 2PE   A H121  1 c 
HETATM 2509 H H122  . 2PE   C 3 .   ? -13.035 14.969  -3.763  1.000 25.593 0 302 2PE   A H122  1 c 
HETATM 2510 S S     . SCN   D 4 .   ? -15.972 11.076  1.943   1.000 14.889 0 303 SCN   A S     1 ? 
HETATM 2511 C C     . SCN   D 4 .   ? -15.186 12.046  0.962   1.000 16.340 0 303 SCN   A C     1 ? 
HETATM 2512 N N     . SCN   D 4 .   ? -14.617 12.725  0.221   1.000 17.710 0 303 SCN   A N     1 ? 
HETATM 2513 S S     . SCN   E 4 .   ? -5.070  9.523   0.527   1.000 20.461 0 304 SCN   A S     1 ? 
HETATM 2514 C C     . SCN   E 4 .   ? -6.024  10.781  0.478   1.000 20.728 0 304 SCN   A C     1 ? 
HETATM 2515 N N     . SCN   E 4 .   ? -6.721  11.704  0.478   1.000 20.944 0 304 SCN   A N     1 ? 
HETATM 2516 O O     . HOH   F 5 .   ? -16.757 -19.766 11.128  1.000 22.070 0 401 HOH   A O     1 ? 
HETATM 2517 O O     . HOH   F 5 .   ? -11.125 16.570  12.727  1.000 25.966 0 402 HOH   A O     1 ? 
HETATM 2518 O O     . HOH   F 5 .   ? -16.905 -17.102 12.806  1.000 21.589 0 403 HOH   A O     1 ? 
HETATM 2519 O O     . HOH   F 5 .   ? -4.891  -3.090  20.924  1.000 26.900 0 404 HOH   A O     1 ? 
HETATM 2520 O O     . HOH   F 5 .   ? -15.586 -14.557 14.958  1.000 20.165 0 405 HOH   A O     1 ? 
HETATM 2521 O O     . HOH   F 5 .   ? -9.119  3.518   0.561   1.000 12.671 0 406 HOH   A O     1 ? 
HETATM 2522 O O     . HOH   F 5 .   ? -4.025  -15.862 14.649  1.000 34.160 0 407 HOH   A O     1 ? 
HETATM 2523 O O     . HOH   F 5 .   ? -15.148 15.681  2.737   1.000 25.900 0 408 HOH   A O     1 ? 
HETATM 2524 O O     . HOH   F 5 .   ? -12.371 1.589   22.842  1.000 32.636 0 409 HOH   A O     1 ? 
HETATM 2525 O O     . HOH   F 5 .   ? -1.449  -4.336  11.789  1.000 13.045 0 410 HOH   A O     1 ? 
HETATM 2526 O O     . HOH   F 5 .   ? -22.633 10.361  0.599   1.000 11.361 0 411 HOH   A O     1 ? 
HETATM 2527 O O     . HOH   F 5 .   ? 1.588   -4.135  5.417   1.000 21.798 0 412 HOH   A O     1 ? 
HETATM 2528 O O     . HOH   F 5 .   ? -21.413 11.061  15.621  1.000 13.267 0 413 HOH   A O     1 ? 
HETATM 2529 O O     . HOH   F 5 .   ? -5.139  -9.060  12.368  1.000 14.910 0 414 HOH   A O     1 ? 
HETATM 2530 O O     . HOH   F 5 .   ? -19.312 -5.754  -11.378 1.000 12.135 0 415 HOH   A O     1 ? 
HETATM 2531 O O     . HOH   F 5 .   ? -12.167 5.494   -1.161  1.000 22.735 0 416 HOH   A O     1 ? 
HETATM 2532 O O     . HOH   F 5 .   ? -18.312 1.260   18.968  1.000 30.519 0 417 HOH   A O     1 ? 
HETATM 2533 O O     . HOH   F 5 .   ? -24.798 -4.790  3.044   1.000 10.531 0 418 HOH   A O     1 ? 
HETATM 2534 O O     . HOH   F 5 .   ? -8.060  13.092  2.529   1.000 16.949 0 419 HOH   A O     1 ? 
HETATM 2535 O O     . HOH   F 5 .   ? -14.674 14.478  20.923  1.000 14.107 0 420 HOH   A O     1 ? 
HETATM 2536 O O     . HOH   F 5 .   ? -25.544 -4.783  6.535   1.000 11.262 0 421 HOH   A O     1 ? 
HETATM 2537 O O     . HOH   F 5 .   ? -7.502  -17.022 17.816  1.000 26.096 0 422 HOH   A O     1 ? 
HETATM 2538 O O     . HOH   F 5 .   ? -27.948 -5.465  5.151   1.000 24.512 0 423 HOH   A O     1 ? 
HETATM 2539 O O     . HOH   F 5 .   ? 4.431   -1.893  2.708   1.000 33.733 0 424 HOH   A O     1 ? 
HETATM 2540 O O     . HOH   F 5 .   ? 0.546   5.468   14.983  1.000 14.465 0 425 HOH   A O     1 ? 
HETATM 2541 O O     . HOH   F 5 .   ? -8.675  16.252  4.203   1.000 25.520 0 426 HOH   A O     1 ? 
HETATM 2542 O O     . HOH   F 5 .   ? -11.742 2.362   -5.451  1.000 32.266 0 427 HOH   A O     1 ? 
HETATM 2543 O O     . HOH   F 5 .   ? -27.479 3.527   12.245  1.000 31.478 0 428 HOH   A O     1 ? 
HETATM 2544 O O     . HOH   F 5 .   ? -11.293 -6.611  20.480  1.000 15.170 0 429 HOH   A O     1 ? 
HETATM 2545 O O     . HOH   F 5 .   ? -13.388 -17.330 0.523   1.000 29.200 0 430 HOH   A O     1 ? 
HETATM 2546 O O     . HOH   F 5 .   ? -8.409  -4.372  -6.623  1.000 21.487 0 431 HOH   A O     1 ? 
HETATM 2547 O O     . HOH   F 5 .   ? 8.327   4.842   5.705   1.000 18.871 0 432 HOH   A O     1 ? 
HETATM 2548 O O     . HOH   F 5 .   ? 1.542   7.276   7.036   1.000 13.866 0 433 HOH   A O     1 ? 
HETATM 2549 O O     . HOH   F 5 .   ? -22.059 2.701   8.585   1.000 13.449 0 434 HOH   A O     1 ? 
HETATM 2550 O O     . HOH   F 5 .   ? -14.000 5.071   -5.548  1.000 29.491 0 435 HOH   A O     1 ? 
HETATM 2551 O O     . HOH   F 5 .   ? -24.165 14.068  8.526   1.000 15.941 0 436 HOH   A O     1 ? 
HETATM 2552 O O     . HOH   F 5 .   ? -15.409 -14.583 -11.234 1.000 17.800 0 437 HOH   A O     1 ? 
HETATM 2553 O O     . HOH   F 5 .   ? -26.376 10.019  1.515   1.000 28.643 0 438 HOH   A O     1 ? 
HETATM 2554 O O     . HOH   F 5 .   ? -12.882 17.820  10.040  1.000 30.468 0 439 HOH   A O     1 ? 
HETATM 2555 O O     . HOH   F 5 .   ? -20.017 -6.809  0.000   1.000 8.707  0 440 HOH   A O     1 ? 
HETATM 2556 O O     . HOH   F 5 .   ? 0.159   9.485   6.087   1.000 24.469 0 441 HOH   A O     1 ? 
HETATM 2557 O O     . HOH   F 5 .   ? -11.796 14.634  17.669  1.000 20.005 0 442 HOH   A O     1 ? 
HETATM 2558 O O     . HOH   F 5 .   ? -23.358 -1.422  8.115   1.000 14.221 0 443 HOH   A O     1 ? 
HETATM 2559 O O     . HOH   F 5 .   ? -10.338 0.610   -8.476  1.000 13.890 0 444 HOH   A O     1 ? 
HETATM 2560 O O     . HOH   F 5 .   ? -20.412 -17.606 3.660   1.000 12.146 0 445 HOH   A O     1 ? 
HETATM 2561 O O     . HOH   F 5 .   ? -18.088 -7.462  -7.353  1.000 12.003 0 446 HOH   A O     1 ? 
HETATM 2562 O O     . HOH   F 5 .   ? -9.456  -15.591 -6.609  1.000 28.727 0 447 HOH   A O     1 ? 
HETATM 2563 O O     . HOH   F 5 .   ? -10.819 -7.767  18.038  1.000 20.743 0 448 HOH   A O     1 ? 
HETATM 2564 O O     . HOH   F 5 .   ? -12.249 6.331   -3.748  1.000 39.864 0 449 HOH   A O     1 ? 
HETATM 2565 O O     . HOH   F 5 .   ? -4.294  13.453  4.469   1.000 24.866 0 450 HOH   A O     1 ? 
HETATM 2566 O O     . HOH   F 5 .   ? -10.766 12.996  -3.400  1.000 29.951 0 451 HOH   A O     1 ? 
HETATM 2567 O O     . HOH   F 5 .   ? 3.224   5.545   11.572  1.000 23.132 0 452 HOH   A O     1 ? 
HETATM 2568 O O     . HOH   F 5 .   ? -18.590 -17.345 -11.838 1.000 28.791 0 453 HOH   A O     1 ? 
HETATM 2569 O O     . HOH   F 5 .   ? -18.440 -8.870  0.582   1.000 8.938  0 454 HOH   A O     1 ? 
HETATM 2570 O O     . HOH   F 5 .   ? -29.533 1.765   4.106   1.000 20.788 0 455 HOH   A O     1 ? 
HETATM 2571 O O     . HOH   F 5 .   ? -10.678 8.746   22.697  1.000 14.047 0 456 HOH   A O     1 ? 
HETATM 2572 O O     . HOH   F 5 .   ? -3.875  -8.906  -4.663  1.000 11.235 0 457 HOH   A O     1 ? 
HETATM 2573 O O     . HOH   F 5 .   ? -12.466 4.780   20.411  1.000 21.752 0 458 HOH   A O     1 ? 
HETATM 2574 O O     . HOH   F 5 .   ? -0.307  -8.760  1.808   1.000 21.467 0 459 HOH   A O     1 ? 
HETATM 2575 O O     . HOH   F 5 .   ? -24.934 5.450   -7.705  1.000 31.724 0 460 HOH   A O     1 ? 
HETATM 2576 O O     . HOH   F 5 .   ? 0.798   8.031   17.615  1.000 15.893 0 461 HOH   A O     1 ? 
HETATM 2577 O O     . HOH   F 5 .   ? -26.802 -9.857  -0.715  1.000 21.637 0 462 HOH   A O     1 ? 
HETATM 2578 O O     . HOH   F 5 .   ? -27.124 22.116  6.426   1.000 35.719 0 463 HOH   A O     1 ? 
HETATM 2579 O O     . HOH   F 5 .   ? 2.305   7.609   14.458  1.000 22.411 0 464 HOH   A O     1 ? 
HETATM 2580 O O     . HOH   F 5 .   ? -15.887 -2.185  -11.798 1.000 10.796 0 465 HOH   A O     1 ? 
HETATM 2581 O O     . HOH   F 5 .   ? -23.830 19.981  14.564  1.000 17.749 0 466 HOH   A O     1 ? 
HETATM 2582 O O     . HOH   F 5 .   ? -4.706  -6.177  18.574  1.000 27.450 0 467 HOH   A O     1 ? 
HETATM 2583 O O     . HOH   F 5 .   ? -2.426  -9.179  12.158  1.000 16.833 0 468 HOH   A O     1 ? 
HETATM 2584 O O     . HOH   F 5 .   ? -16.872 -0.528  -9.100  1.000 10.367 0 469 HOH   A O     1 ? 
HETATM 2585 O O     . HOH   F 5 .   ? -19.458 -1.642  21.326  1.000 31.136 0 470 HOH   A O     1 ? 
HETATM 2586 O O     . HOH   F 5 .   ? -21.041 8.632   -7.549  1.000 24.740 0 471 HOH   A O     1 ? 
HETATM 2587 O O     . HOH   F 5 .   ? -8.018  -20.921 15.700  1.000 33.852 0 472 HOH   A O     1 ? 
HETATM 2588 O O     . HOH   F 5 .   ? -23.855 -1.128  -10.719 1.000 27.719 0 473 HOH   A O     1 ? 
HETATM 2589 O O     . HOH   F 5 .   ? -23.775 -4.345  14.837  1.000 26.765 0 474 HOH   A O     1 ? 
HETATM 2590 O O     . HOH   F 5 .   ? -23.988 11.330  12.421  1.000 15.379 0 475 HOH   A O     1 ? 
HETATM 2591 O O     . HOH   F 5 .   ? -27.134 -1.602  8.451   1.000 23.394 0 476 HOH   A O     1 ? 
HETATM 2592 O O     . HOH   F 5 .   ? -18.292 17.501  12.861  1.000 23.210 0 477 HOH   A O     1 ? 
HETATM 2593 O O     . HOH   F 5 .   ? -9.768  -18.564 8.213   1.000 32.814 0 478 HOH   A O     1 ? 
HETATM 2594 O O     . HOH   F 5 .   ? -26.184 7.971   10.997  1.000 20.141 0 479 HOH   A O     1 ? 
HETATM 2595 O O     . HOH   F 5 .   ? -13.455 3.748   -3.377  1.000 20.629 0 480 HOH   A O     1 ? 
HETATM 2596 O O     . HOH   F 5 .   ? -16.169 14.786  6.528   1.000 14.297 0 481 HOH   A O     1 ? 
HETATM 2597 O O     . HOH   F 5 .   ? -17.279 -4.651  21.902  1.000 26.527 0 482 HOH   A O     1 ? 
HETATM 2598 O O     . HOH   F 5 .   ? -16.638 -6.556  16.390  1.000 20.974 0 483 HOH   A O     1 ? 
HETATM 2599 O O     . HOH   F 5 .   ? -25.975 -8.927  -3.191  1.000 18.737 0 484 HOH   A O     1 ? 
HETATM 2600 O O     . HOH   F 5 .   ? -21.872 14.158  2.022   1.000 35.729 0 485 HOH   A O     1 ? 
HETATM 2601 O O     . HOH   F 5 .   ? -22.296 6.101   -8.194  1.000 20.280 0 486 HOH   A O     1 ? 
HETATM 2602 O O     . HOH   F 5 .   ? -26.605 5.641   13.966  1.000 30.933 0 487 HOH   A O     1 ? 
HETATM 2603 O O     . HOH   F 5 .   ? 8.498   2.668   7.958   1.000 19.069 0 488 HOH   A O     1 ? 
HETATM 2604 O O     . HOH   F 5 .   ? -23.041 -7.854  -5.749  1.000 28.983 0 489 HOH   A O     1 ? 
HETATM 2605 O O     . HOH   F 5 .   ? -10.377 -3.011  17.412  1.000 10.839 0 490 HOH   A O     1 ? 
HETATM 2606 O O     . HOH   F 5 .   ? -5.131  -18.968 14.998  1.000 31.590 0 491 HOH   A O     1 ? 
HETATM 2607 O O     . HOH   F 5 .   ? -18.598 -10.472 -11.638 1.000 20.264 0 492 HOH   A O     1 ? 
HETATM 2608 O O     . HOH   F 5 .   ? 4.236   -1.713  9.205   1.000 24.855 0 493 HOH   A O     1 ? 
HETATM 2609 O O     . HOH   F 5 .   ? -1.587  3.032   16.316  1.000 15.347 0 494 HOH   A O     1 ? 
HETATM 2610 O O     . HOH   F 5 .   ? -21.180 18.945  4.757   1.000 25.965 0 495 HOH   A O     1 ? 
HETATM 2611 O O     . HOH   F 5 .   ? 0.874   0.351   -1.015  1.000 28.343 0 496 HOH   A O     1 ? 
HETATM 2612 O O     . HOH   F 5 .   ? -15.749 1.363   18.380  1.000 20.186 0 497 HOH   A O     1 ? 
HETATM 2613 O O     . HOH   F 5 .   ? 6.304   3.820   12.090  1.000 35.623 0 498 HOH   A O     1 ? 
HETATM 2614 O O     . HOH   F 5 .   ? 4.307   7.698   4.786   1.000 24.829 0 499 HOH   A O     1 ? 
HETATM 2615 O O     . HOH   F 5 .   ? -15.847 7.081   -5.721  1.000 27.222 0 500 HOH   A O     1 ? 
HETATM 2616 O O     . HOH   F 5 .   ? -26.756 15.463  8.303   1.000 34.642 0 501 HOH   A O     1 ? 
HETATM 2617 O O     . HOH   F 5 .   ? -23.276 -1.006  -5.633  1.000 20.512 0 502 HOH   A O     1 ? 
HETATM 2618 O O     . HOH   F 5 .   ? -24.258 -2.819  12.430  1.000 16.377 0 503 HOH   A O     1 ? 
HETATM 2619 O O     . HOH   F 5 .   ? -8.975  -7.293  -5.984  1.000 12.997 0 504 HOH   A O     1 ? 
HETATM 2620 O O     . HOH   F 5 .   ? -9.558  6.342   -1.960  1.000 30.439 0 505 HOH   A O     1 ? 
HETATM 2621 O O     . HOH   F 5 .   ? -25.777 -5.280  9.208   1.000 23.617 0 506 HOH   A O     1 ? 
HETATM 2622 O O     . HOH   F 5 .   ? -27.225 -1.241  -3.099  1.000 17.736 0 507 HOH   A O     1 ? 
HETATM 2623 O O     . HOH   F 5 .   ? 2.266   -3.356  8.016   1.000 17.237 0 508 HOH   A O     1 ? 
HETATM 2624 O O     . HOH   F 5 .   ? -1.694  12.918  14.106  1.000 29.645 0 509 HOH   A O     1 ? 
HETATM 2625 O O     . HOH   F 5 .   ? 4.587   1.754   2.723   1.000 14.965 0 510 HOH   A O     1 ? 
HETATM 2626 O O     . HOH   F 5 .   ? -19.824 -11.302 -6.256  1.000 25.606 0 511 HOH   A O     1 ? 
HETATM 2627 O O     . HOH   F 5 .   ? -26.243 9.919   8.658   1.000 16.964 0 512 HOH   A O     1 ? 
HETATM 2628 O O     . HOH   F 5 .   ? -14.421 -6.964  14.529  1.000 19.309 0 513 HOH   A O     1 ? 
HETATM 2629 O O     . HOH   F 5 .   ? -27.557 13.188  11.501  1.000 26.216 0 514 HOH   A O     1 ? 
HETATM 2630 O O     . HOH   F 5 .   ? -26.180 -10.990 5.270   1.000 28.896 0 515 HOH   A O     1 ? 
HETATM 2631 O O     . HOH   F 5 .   ? -14.223 2.616   20.497  1.000 25.188 0 516 HOH   A O     1 ? 
HETATM 2632 O O     . HOH   F 5 .   ? -18.124 20.264  12.339  1.000 24.458 0 517 HOH   A O     1 ? 
HETATM 2633 O O     . HOH   F 5 .   ? -17.598 7.524   20.584  1.000 33.641 0 518 HOH   A O     1 ? 
HETATM 2634 O O     . HOH   F 5 .   ? -26.550 0.899   9.668   1.000 21.935 0 519 HOH   A O     1 ? 
HETATM 2635 O O     . HOH   F 5 .   ? -23.788 -3.783  -11.517 1.000 37.198 0 520 HOH   A O     1 ? 
HETATM 2636 O O     . HOH   F 5 .   ? -18.363 5.449   -14.170 1.000 30.471 0 521 HOH   A O     1 ? 
HETATM 2637 O O     . HOH   F 5 .   ? -10.173 7.556   19.895  1.000 19.684 0 522 HOH   A O     1 ? 
HETATM 2638 O O     . HOH   F 5 .   ? -2.270  -6.487  -4.787  1.000 30.790 0 523 HOH   A O     1 ? 
HETATM 2639 O O     . HOH   F 5 .   ? 2.604   -5.528  9.776   1.000 29.976 0 524 HOH   A O     1 ? 
HETATM 2640 O O     . HOH   F 5 .   ? -15.974 -17.131 -2.012  1.000 32.402 0 525 HOH   A O     1 ? 
HETATM 2641 O O     . HOH   F 5 .   ? 7.383   0.639   6.745   1.000 26.393 0 526 HOH   A O     1 ? 
HETATM 2642 O O     . HOH   F 5 .   ? 2.800   8.829   2.756   1.000 27.085 0 527 HOH   A O     1 ? 
HETATM 2643 O O     . HOH   F 5 .   ? -24.398 0.038   12.267  1.000 26.390 0 528 HOH   A O     1 ? 
HETATM 2644 O O     . HOH   F 5 .   ? -24.597 -2.380  -3.850  1.000 9.441  0 529 HOH   A O     1 ? 
HETATM 2645 O O     . HOH   F 5 .   ? -18.484 8.083   -7.543  1.000 32.538 0 530 HOH   A O     1 ? 
HETATM 2646 O O     . HOH   F 5 .   ? -18.463 15.038  4.369   1.000 32.816 0 531 HOH   A O     1 ? 
HETATM 2647 O O     . HOH   F 5 .   ? -1.163  -5.774  14.138  1.000 33.251 0 532 HOH   A O     1 ? 
HETATM 2648 O O     . HOH   F 5 .   ? -24.793 -0.726  -7.855  1.000 40.195 0 533 HOH   A O     1 ? 
HETATM 2649 O O     . HOH   F 5 .   ? -22.000 -6.086  -10.987 1.000 28.887 0 534 HOH   A O     1 ? 
HETATM 2650 O O     . HOH   F 5 .   ? -16.357 13.634  3.899   1.000 32.075 0 535 HOH   A O     1 ? 
HETATM 2651 O O     . HOH   F 5 .   ? -7.222  3.532   -1.521  1.000 37.777 0 536 HOH   A O     1 ? 
HETATM 2652 O O     . HOH   F 5 .   ? -23.825 0.829   9.638   1.000 15.916 0 537 HOH   A O     1 ? 
HETATM 2653 O O     . HOH   F 5 .   ? -27.089 -5.950  2.360   1.000 18.614 0 538 HOH   A O     1 ? 
HETATM 2654 O O     . HOH   F 5 .   ? 7.033   7.528   6.259   1.000 29.671 0 539 HOH   A O     1 ? 
HETATM 2655 O O     . HOH   F 5 .   ? -1.904  -17.529 14.555  1.000 33.816 0 540 HOH   A O     1 ? 
HETATM 2656 O O     . HOH   F 5 .   ? -4.906  -10.070 15.460  1.000 31.489 0 541 HOH   A O     1 ? 
HETATM 2657 O O     . HOH   F 5 .   ? -20.807 -8.575  -7.090  1.000 20.370 0 542 HOH   A O     1 ? 
HETATM 2658 O O     . HOH   F 5 .   ? -25.036 11.912  0.340   1.000 32.823 0 543 HOH   A O     1 ? 
HETATM 2659 O O     . HOH   F 5 .   ? -28.459 -5.196  -0.352  1.000 43.879 0 544 HOH   A O     1 ? 
HETATM 2660 O O     . HOH   F 5 .   ? -6.856  -18.906 19.505  1.000 31.155 0 545 HOH   A O     1 ? 
HETATM 2661 O O     . HOH   F 5 .   ? 2.976   8.616   16.549  1.000 17.339 0 546 HOH   A O     1 ? 
HETATM 2662 O O     . HOH   F 5 .   ? -25.262 12.174  10.150  1.000 15.806 0 547 HOH   A O     1 ? 
HETATM 2663 O O     . HOH   F 5 .   ? 5.436   -4.688  1.983   1.000 40.941 0 548 HOH   A O     1 ? 
HETATM 2664 O O     . HOH   F 5 .   ? -21.629 -8.774  -9.533  1.000 36.410 0 549 HOH   A O     1 ? 
HETATM 2665 O O     . HOH   F 5 .   ? -4.986  -8.874  -7.188  1.000 26.558 0 550 HOH   A O     1 ? 
HETATM 2666 O O     . HOH   F 5 .   ? -25.425 -6.922  -6.305  1.000 33.019 0 551 HOH   A O     1 ? 
HETATM 2667 O O     . HOH   F 5 .   ? 3.616   10.055  0.559   1.000 30.422 0 552 HOH   A O     1 ? 
HETATM 2668 O O     . HOH   F 5 .   ? -30.434 -0.944  -3.286  1.000 41.616 0 553 HOH   A O     1 ? 
HETATM 2669 O O     . HOH   F 5 .   ? -17.603 -18.338 3.242   1.000 19.333 0 554 HOH   A O     1 ? 
HETATM 2670 O O     . HOH   F 5 .   ? -25.488 -4.864  -4.302  1.000 28.743 0 555 HOH   A O     1 ? 
HETATM 2671 O O     . HOH   F 5 .   ? -28.995 9.982   8.464   1.000 37.903 0 556 HOH   A O     1 ? 
HETATM 2672 O O     . HOH   F 5 .   ? 0.317   -7.829  -4.965  1.000 24.512 0 557 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   ? 0.20203730 0.32551074 0.18649934 -0.00461658 0.01730064  -0.04869650 113 PRO   A N     
2    C CA    . PRO   A 1   ? 0.19648856 0.30869633 0.15175128 -0.00438859 0.02529724  -0.04974831 113 PRO   A CA    
3    C C     . PRO   A 1   ? 0.17887896 0.28447530 0.13627562 -0.00214087 0.02782647  -0.03530201 113 PRO   A C     
4    O O     . PRO   A 1   ? 0.17644241 0.29874194 0.15365721 -0.00026213 0.03076448  -0.04565448 113 PRO   A O     
5    C CB    . PRO   A 1   ? 0.21427962 0.31816673 0.17887585 -0.00504077 0.02260137  -0.04669250 113 PRO   A CB    
6    C CG    . PRO   A 1   ? 0.21838413 0.32572234 0.19430950 -0.00808635 0.01984329  -0.04753127 113 PRO   A CG    
7    C CD    . PRO   A 1   ? 0.21019019 0.32939485 0.19859368 -0.00974831 0.02360563  -0.04842496 113 PRO   A CD    
8    H H     . PRO   A 1   ? 0.20219994 0.32342035 0.18132821 -0.00535216 0.02021277  -0.04887399 113 PRO   A H     
9    H HA    . PRO   A 1   ? 0.19604507 0.30798113 0.15703970 -0.00393561 0.02481164  -0.04620148 113 PRO   A HA    
10   H HB2   . PRO   A 1   ? 0.21190575 0.31755209 0.17727394 -0.00520737 0.02275247  -0.04768496 113 PRO   A HB2   
11   H HB3   . PRO   A 1   ? 0.21336243 0.31740141 0.17652249 -0.00545252 0.02220083  -0.04721273 113 PRO   A HB3   
12   H HG2   . PRO   A 1   ? 0.21636738 0.32535788 0.19275308 -0.00758803 0.02081435  -0.04761095 113 PRO   A HG2   
13   H HG3   . PRO   A 1   ? 0.21642253 0.32503113 0.19417688 -0.00766085 0.02055326  -0.04747856 113 PRO   A HG3   
14   H HD2   . PRO   A 1   ? 0.21006766 0.32858485 0.19663005 -0.00863132 0.02217893  -0.04836632 113 PRO   A HD2   
15   H HD3   . PRO   A 1   ? 0.21064830 0.32857260 0.19714251 -0.00860994 0.02303435  -0.04826034 113 PRO   A HD3   
16   N N     . LEU   A 2   ? 0.17285165 0.24945006 0.10351019 0.00359433  0.03071900  -0.02995969 114 LEU   A N     
17   C CA    . LEU   A 2   ? 0.18247432 0.22893277 0.09277853 0.00354583  0.03471750  -0.01791849 114 LEU   A CA    
18   C C     . LEU   A 2   ? 0.18359202 0.22164722 0.08823463 0.00006540  0.03780853  -0.01504743 114 LEU   A C     
19   O O     . LEU   A 2   ? 0.20928417 0.21634787 0.08670350 0.00231516  0.03421092  -0.01329324 114 LEU   A O     
20   C CB    . LEU   A 2   ? 0.18893011 0.22134712 0.10073035 0.00620374  0.03631489  -0.01677318 114 LEU   A CB    
21   C CG    . LEU   A 2   ? 0.19888708 0.22109386 0.11028040 0.00765296  0.03829332  -0.01228998 114 LEU   A CG    
22   C CD1   . LEU   A 2   ? 0.20440917 0.21986945 0.11542790 0.00631157  0.04035005  -0.01542189 114 LEU   A CD1   
23   C CD2   . LEU   A 2   ? 0.20209262 0.22374251 0.12619315 0.01019911  0.03817661  -0.00979438 114 LEU   A CD2   
24   H H     . LEU   A 2   ? 0.17413040 0.25174907 0.10669671 0.00314610  0.03254216  -0.02889328 114 LEU   A H     
25   H HA    . LEU   A 2   ? 0.18234305 0.23045892 0.09558867 0.00346626  0.03501037  -0.01900490 114 LEU   A HA    
26   H HB2   . LEU   A 2   ? 0.18874829 0.22207284 0.10070738 0.00610008  0.03633583  -0.01627589 114 LEU   A HB2   
27   H HB3   . LEU   A 2   ? 0.18907061 0.22230515 0.10084090 0.00602385  0.03612903  -0.01636459 114 LEU   A HB3   
28   H HG    . LEU   A 2   ? 0.19840944 0.22139899 0.11109412 0.00767515  0.03823215  -0.01312839 114 LEU   A HG    
29   H HD11  . LEU   A 2   ? 0.20312046 0.21979423 0.11424808 0.00624294  0.03957485  -0.01468487 114 LEU   A HD11  
30   H HD12  . LEU   A 2   ? 0.20301554 0.22009224 0.11444806 0.00624400  0.03969691  -0.01500586 114 LEU   A HD12  
31   H HD13  . LEU   A 2   ? 0.20312463 0.22004122 0.11512838 0.00648366  0.03982519  -0.01465400 114 LEU   A HD13  
32   H HD21  . LEU   A 2   ? 0.20140362 0.22343984 0.12279887 0.01007680  0.03851452  -0.01026016 114 LEU   A HD21  
33   H HD22  . LEU   A 2   ? 0.20133194 0.22330254 0.12481686 0.00994565  0.03883532  -0.00976069 114 LEU   A HD22  
34   H HD23  . LEU   A 2   ? 0.20128816 0.22340427 0.12317894 0.00980138  0.03856747  -0.01035518 114 LEU   A HD23  
35   N N     . ILE   A 3   ? 0.18086416 0.21924165 0.08522750 -0.00085256 0.03569933  -0.00480231 115 ILE   A N     
36   C CA    . ILE   A 3   ? 0.17953904 0.21625790 0.09326843 -0.00231030 0.03763577  0.00385929  115 ILE   A CA    
37   C C     . ILE   A 3   ? 0.17722635 0.20683175 0.08570595 -0.00081296 0.03602466  0.00487847  115 ILE   A C     
38   O O     . ILE   A 3   ? 0.17525148 0.21115962 0.08379810 -0.00451856 0.02448463  0.00438476  115 ILE   A O     
39   C CB    . ILE   A 3   ? 0.18299787 0.22015439 0.09360723 0.00035511  0.04015218  0.00850235  115 ILE   A CB    
40   C CG1   . ILE   A 3   ? 0.19241939 0.22397228 0.09547222 0.00009024  0.03889708  0.01382638  115 ILE   A CG1   
41   C CG2   . ILE   A 3   ? 0.18647610 0.21987933 0.08956948 0.00236968  0.03984577  0.00834028  115 ILE   A CG2   
42   C CD1   . ILE   A 3   ? 0.19852482 0.22794400 0.09191150 -0.00014418 0.03727553  0.01748719  115 ILE   A CD1   
43   H H     . ILE   A 3   ? 0.18118824 0.21954796 0.08743529 -0.00085437 0.03651012  -0.00531705 115 ILE   A H     
44   H HA    . ILE   A 3   ? 0.18030097 0.21583785 0.09162032 -0.00158400 0.03754132  0.00327462  115 ILE   A HA    
45   H HB    . ILE   A 3   ? 0.18341520 0.22001386 0.09341156 0.00030142  0.03962048  0.00863051  115 ILE   A HB    
46   H HG12  . ILE   A 3   ? 0.19200951 0.22379690 0.09466694 0.00012212  0.03900205  0.01341610  115 ILE   A HG12  
47   H HG13  . ILE   A 3   ? 0.19166815 0.22397748 0.09471942 0.00012343  0.03897373  0.01345492  115 ILE   A HG13  
48   H HG21  . ILE   A 3   ? 0.18588936 0.21975271 0.09012514 0.00203406  0.04014915  0.00818423  115 ILE   A HG21  
49   H HG22  . ILE   A 3   ? 0.18611874 0.21964447 0.09054271 0.00196574  0.03980278  0.00826783  115 ILE   A HG22  
50   H HG23  . ILE   A 3   ? 0.18591879 0.21953252 0.09067691 0.00209725  0.03961254  0.00817490  115 ILE   A HG23  
51   H HD11  . ILE   A 3   ? 0.19772458 0.22703986 0.09291009 0.00006806  0.03771671  0.01685448  115 ILE   A HD11  
52   H HD12  . ILE   A 3   ? 0.19720516 0.22695164 0.09286441 0.00005230  0.03762770  0.01693637  115 ILE   A HD12  
53   H HD13  . ILE   A 3   ? 0.19714420 0.22729014 0.09295443 0.00009721  0.03770757  0.01695521  115 ILE   A HD13  
54   N N     . VAL   A 4   ? 0.17895982 0.20191547 0.07585067 -0.00296674 0.03699106  0.00732451  116 VAL   A N     
55   C CA    . VAL   A 4   ? 0.18050912 0.19843006 0.08598949 0.00159818  0.04025597  0.00586797  116 VAL   A CA    
56   C C     . VAL   A 4   ? 0.18305200 0.19769436 0.09337287 0.00093699  0.03678174  0.00820097  116 VAL   A C     
57   O O     . VAL   A 4   ? 0.19267139 0.19679663 0.10972122 -0.00247838 0.03862526  0.01349494  116 VAL   A O     
58   C CB    . VAL   A 4   ? 0.18945375 0.20476542 0.09258410 0.00571013  0.04419185  0.00453061  116 VAL   A CB    
59   C CG1   . VAL   A 4   ? 0.19090605 0.20973793 0.09999596 0.00880153  0.04360071  0.00523944  116 VAL   A CG1   
60   C CG2   . VAL   A 4   ? 0.19310252 0.20529428 0.09539580 0.00826621  0.04438875  0.00563385  116 VAL   A CG2   
61   H HA    . VAL   A 4   ? 0.18153781 0.19926423 0.08660901 0.00111006  0.03940054  0.00608568  116 VAL   A HA    
62   H HB    . VAL   A 4   ? 0.18867955 0.20443577 0.09290186 0.00595720  0.04360583  0.00502998  116 VAL   A HB    
63   H HG11  . VAL   A 4   ? 0.19069779 0.20916766 0.09871946 0.00836717  0.04371832  0.00523309  116 VAL   A HG11  
64   H HG12  . VAL   A 4   ? 0.19081664 0.20902583 0.09930106 0.00805254  0.04369839  0.00501355  116 VAL   A HG12  
65   H HG13  . VAL   A 4   ? 0.19058195 0.20877129 0.09911362 0.00796495  0.04331382  0.00536064  116 VAL   A HG13  
66   H HG21  . VAL   A 4   ? 0.19240709 0.20518540 0.09510984 0.00769225  0.04420993  0.00552234  116 VAL   A HG21  
67   H HG22  . VAL   A 4   ? 0.19264525 0.20515378 0.09487034 0.00765673  0.04425788  0.00547069  116 VAL   A HG22  
68   H HG23  . VAL   A 4   ? 0.19242316 0.20535481 0.09495024 0.00780662  0.04425083  0.00547358  116 VAL   A HG23  
69   N N     . PRO   A 5   ? 0.18662758 0.19855541 0.09997245 -0.00079397 0.03028079  0.00894853  117 PRO   A N     
70   C CA    . PRO   A 5   ? 0.18171486 0.19743724 0.09605612 -0.00129142 0.02470957  -0.00009336 117 PRO   A CA    
71   C C     . PRO   A 5   ? 0.16778466 0.19725458 0.09516942 -0.00357698 0.02353641  -0.00478082 117 PRO   A C     
72   O O     . PRO   A 5   ? 0.17309414 0.20487016 0.11525270 -0.00536811 0.03475088  -0.00052013 117 PRO   A O     
73   C CB    . PRO   A 5   ? 0.18710294 0.20673916 0.10668422 0.00055968  0.01943264  0.00251038  117 PRO   A CB    
74   C CG    . PRO   A 5   ? 0.19764106 0.21088721 0.11387856 -0.00064945 0.02198447  0.00670171  117 PRO   A CG    
75   C CD    . PRO   A 5   ? 0.19654125 0.20639931 0.10457154 -0.00109719 0.02366011  0.01259760  117 PRO   A CD    
76   H HA    . PRO   A 5   ? 0.18055856 0.19849101 0.09729845 -0.00128283 0.02515196  0.00067487  117 PRO   A HA    
77   H HB2   . PRO   A 5   ? 0.18751891 0.20590460 0.10587806 0.00019855  0.02087174  0.00292558  117 PRO   A HB2   
78   H HB3   . PRO   A 5   ? 0.18761429 0.20566916 0.10588552 0.00012929  0.02082471  0.00285103  117 PRO   A HB3   
79   H HG2   . PRO   A 5   ? 0.19615285 0.20975600 0.11139721 -0.00101940 0.02175649  0.00735550  117 PRO   A HG2   
80   H HG3   . PRO   A 5   ? 0.19621500 0.20967172 0.11175899 -0.00099074 0.02252498  0.00676972  117 PRO   A HG3   
81   H HD2   . PRO   A 5   ? 0.19572234 0.20582315 0.10563848 -0.00081794 0.02446404  0.01098904  117 PRO   A HD2   
82   H HD3   . PRO   A 5   ? 0.19556969 0.20632836 0.10575519 -0.00120683 0.02465240  0.01108499  117 PRO   A HD3   
83   N N     . TYR   A 6   ? 0.16323321 0.18562123 0.08973449 -0.00340642 0.02082776  -0.01677612 118 TYR   A N     
84   C CA    . TYR   A 6   ? 0.16533959 0.18662615 0.09181748 -0.00209299 0.01675421  -0.02391861 118 TYR   A CA    
85   C C     . TYR   A 6   ? 0.16404074 0.18525566 0.08549599 -0.00167802 0.02026251  -0.02979807 118 TYR   A C     
86   O O     . TYR   A 6   ? 0.16221765 0.18392499 0.09419817 -0.00567237 0.02801636  -0.03878800 118 TYR   A O     
87   C CB    . TYR   A 6   ? 0.17112285 0.19171065 0.09659976 0.00244559  0.00935534  -0.02289405 118 TYR   A CB    
88   C CG    . TYR   A 6   ? 0.17584510 0.19836809 0.11012028 0.00616264  0.00060158  -0.01946315 118 TYR   A CG    
89   C CD1   . TYR   A 6   ? 0.17753528 0.20560674 0.13845025 0.01065212  0.00215641  -0.01215885 118 TYR   A CD1   
90   C CD2   . TYR   A 6   ? 0.17772141 0.20105526 0.11536305 0.00736136  -0.00330657 -0.01727735 118 TYR   A CD2   
91   C CE1   . TYR   A 6   ? 0.17887726 0.21533602 0.15225725 0.01553649  -0.00075670 -0.00781733 118 TYR   A CE1   
92   C CE2   . TYR   A 6   ? 0.17945302 0.20245962 0.12919974 0.00976506  -0.00198647 -0.01826847 118 TYR   A CE2   
93   C CZ    . TYR   A 6   ? 0.18096347 0.21332037 0.14950483 0.01595918  -0.00260762 -0.01323809 118 TYR   A CZ    
94   O OH    . TYR   A 6   ? 0.20184585 0.22580145 0.16431564 0.02702944  -0.00580085 -0.00060869 118 TYR   A OH    
95   H H     . TYR   A 6   ? 0.16376725 0.18796618 0.09134408 -0.00309007 0.02112913  -0.01571891 118 TYR   A H     
96   H HA    . TYR   A 6   ? 0.16564311 0.18696402 0.09143858 -0.00160741 0.01702900  -0.02342634 118 TYR   A HA    
97   H HB2   . TYR   A 6   ? 0.17078221 0.19163042 0.09803171 0.00211612  0.00922188  -0.02245383 118 TYR   A HB2   
98   H HB3   . TYR   A 6   ? 0.17074749 0.19168301 0.09799975 0.00219778  0.00916985  -0.02250876 118 TYR   A HB3   
99   H HD1   . TYR   A 6   ? 0.17780954 0.20565031 0.13417715 0.01063229  0.00202479  -0.01244658 118 TYR   A HD1   
100  H HD2   . TYR   A 6   ? 0.17772120 0.20097493 0.11717979 0.00767371  -0.00227507 -0.01765204 118 TYR   A HD2   
101  H HE1   . TYR   A 6   ? 0.17915329 0.21426943 0.14971004 0.01477503  -0.00048094 -0.00952127 118 TYR   A HE1   
102  H HE2   . TYR   A 6   ? 0.17932159 0.20313433 0.12949377 0.01018045  -0.00208275 -0.01722388 118 TYR   A HE2   
103  H HH    . TYR   A 6   ? 0.21449694 0.21449694 0.21449694 0.00000000  0.00000000  0.00000000  118 TYR   A HH    
104  N N     A ASN   A 7   ? 0.16875382 0.18698941 0.09375470 -0.00199984 0.02085527  -0.03422817 119 ASN   A N     
105  N N     B ASN   A 7   ? 0.17102195 0.18848333 0.09223396 -0.00001583 0.02249519  -0.03394332 119 ASN   A N     
106  C CA    A ASN   A 7   ? 0.17571965 0.18986067 0.09843729 -0.00300143 0.01632733  -0.03581635 119 ASN   A CA    
107  C CA    B ASN   A 7   ? 0.17869703 0.19036674 0.09512930 0.00177635  0.02027438  -0.03757828 119 ASN   A CA    
108  C C     A ASN   A 7   ? 0.16818497 0.18254052 0.09194624 -0.00090327 0.01550270  -0.04195329 119 ASN   A C     
109  C C     B ASN   A 7   ? 0.16998114 0.18286331 0.09416445 0.00221145  0.01963324  -0.04187953 119 ASN   A C     
110  O O     A ASN   A 7   ? 0.16779658 0.18483984 0.09881932 -0.00193268 0.01349630  -0.04263438 119 ASN   A O     
111  O O     B ASN   A 7   ? 0.17280075 0.18235697 0.11099324 0.00569259  0.02495265  -0.04269586 119 ASN   A O     
112  C CB    A ASN   A 7   ? 0.19005579 0.20157014 0.10052344 -0.00484392 0.01772800  -0.03526651 119 ASN   A CB    
113  C CB    B ASN   A 7   ? 0.19599654 0.20275263 0.09717045 0.00286727  0.02227240  -0.03773865 119 ASN   A CB    
114  C CG    A ASN   A 7   ? 0.19995315 0.20703360 0.11479279 -0.00937702 0.01261270  -0.03324772 119 ASN   A CG    
115  C CG    B ASN   A 7   ? 0.21006660 0.21457478 0.10708643 0.00630972  0.01698884  -0.03459880 119 ASN   A CG    
116  O OD1   A ASN   A 7   ? 0.20224081 0.21059594 0.11689676 -0.01301542 0.00880358  -0.03067301 119 ASN   A OD1   
117  O OD1   B ASN   A 7   ? 0.21419805 0.22441888 0.12105767 0.01140007  0.01716727  -0.02600198 119 ASN   A OD1   
118  N ND2   A ASN   A 7   ? 0.20857602 0.21365182 0.13729000 -0.00421589 0.01244145  -0.03383145 119 ASN   A ND2   
119  N ND2   B ASN   A 7   ? 0.21933876 0.22514242 0.11290290 0.00767407  0.02089036  -0.02874563 119 ASN   A ND2   
120  H H     A ASN   A 7   ? 0.16863172 0.18718411 0.09312195 -0.00199518 0.02014008  -0.03347273 119 ASN   A H     
121  H H     B ASN   A 7   ? 0.17078462 0.18816051 0.09155286 -0.00001955 0.02172171  -0.03355341 119 ASN   A H     
122  H HA    A ASN   A 7   ? 0.17542930 0.18940772 0.09676454 -0.00272814 0.01707686  -0.03640289 119 ASN   A HA    
123  H HA    B ASN   A 7   ? 0.17835210 0.19013341 0.09454629 0.00168640  0.02069667  -0.03762391 119 ASN   A HA    
124  H HB2   A ASN   A 7   ? 0.18925013 0.20044295 0.10289768 -0.00531244 0.01682196  -0.03500225 119 ASN   A HB2   
125  H HB2   B ASN   A 7   ? 0.19512881 0.20213538 0.09857739 0.00339940  0.02132723  -0.03713628 119 ASN   A HB2   
126  H HB3   A ASN   A 7   ? 0.18946183 0.20032704 0.10282815 -0.00522408 0.01672744  -0.03491701 119 ASN   A HB3   
127  H HB3   B ASN   A 7   ? 0.19491807 0.20214269 0.09856983 0.00337118  0.02136079  -0.03713105 119 ASN   A HB3   
128  H HD21  A ASN   A 7   ? 0.20803481 0.21247433 0.13226487 -0.00458037 0.01256033  -0.03357226 119 ASN   A HD21  
129  H HD21  B ASN   A 7   ? 0.21815982 0.22294506 0.11182439 0.00687998  0.01990058  -0.02979535 119 ASN   A HD21  
130  H HD22  A ASN   A 7   ? 0.20706482 0.21325213 0.13231319 -0.00462612 0.01277807  -0.03328786 119 ASN   A HD22  
131  H HD22  B ASN   A 7   ? 0.21769822 0.22303171 0.11188268 0.00696141  0.02030186  -0.03010894 119 ASN   A HD22  
132  N N     . LEU   A 8   ? 0.16406603 0.17528817 0.08129954 0.00223846  0.01333277  -0.04590410 120 LEU   A N     
133  C CA    . LEU   A 8   ? 0.15942512 0.17334837 0.08049984 0.00129488  0.00292855  -0.04607776 120 LEU   A CA    
134  C C     . LEU   A 8   ? 0.14851181 0.16658081 0.07472820 0.00092240  0.00457445  -0.04077769 120 LEU   A C     
135  O O     . LEU   A 8   ? 0.14564969 0.16643280 0.06215899 0.00169643  0.00691326  -0.03796228 120 LEU   A O     
136  C CB    . LEU   A 8   ? 0.16837189 0.17684571 0.08004854 0.00159154  -0.00061490 -0.04423009 120 LEU   A CB    
137  C CG    . LEU   A 8   ? 0.18308532 0.18059976 0.09672100 0.00298118  -0.00706642 -0.03960664 120 LEU   A CG    
138  C CD1   . LEU   A 8   ? 0.18680339 0.18518764 0.10807364 0.00664482  -0.00797775 -0.03479378 120 LEU   A CD1   
139  C CD2   . LEU   A 8   ? 0.19264142 0.18370268 0.09707800 0.00127979  -0.00537697 -0.04127242 120 LEU   A CD2   
140  H H     . LEU   A 8   ? 0.16414504 0.17730285 0.08482598 0.00192806  0.01320340  -0.04449796 120 LEU   A H     
141  H HA    . LEU   A 8   ? 0.15941449 0.17331153 0.08041789 0.00150208  0.00444851  -0.04480958 120 LEU   A HA    
142  H HB2   . LEU   A 8   ? 0.16878498 0.17615221 0.08285786 0.00166454  -0.00113495 -0.04398299 120 LEU   A HB2   
143  H HB3   . LEU   A 8   ? 0.16855904 0.17642584 0.08252507 0.00190314  -0.00087828 -0.04362111 120 LEU   A HB3   
144  H HG    . LEU   A 8   ? 0.18216893 0.18095209 0.09530506 0.00309869  -0.00580578 -0.03976146 120 LEU   A HG    
145  H HD11  . LEU   A 8   ? 0.18603279 0.18407869 0.10657806 0.00597704  -0.00841963 -0.03571502 120 LEU   A HD11  
146  H HD12  . LEU   A 8   ? 0.18592457 0.18430997 0.10585356 0.00601307  -0.00790434 -0.03575782 120 LEU   A HD12  
147  H HD13  . LEU   A 8   ? 0.18606080 0.18503793 0.10626193 0.00639456  -0.00766913 -0.03503235 120 LEU   A HD13  
148  H HD21  . LEU   A 8   ? 0.19152449 0.18294628 0.09730644 0.00159609  -0.00540442 -0.04091613 120 LEU   A HD21  
149  H HD22  . LEU   A 8   ? 0.19060464 0.18291965 0.09725220 0.00165249  -0.00557065 -0.04082285 120 LEU   A HD22  
150  H HD23  . LEU   A 8   ? 0.19064575 0.18322651 0.09748174 0.00162983  -0.00566133 -0.04100516 120 LEU   A HD23  
151  N N     . PRO   A 9   ? 0.14607757 0.16857976 0.08135413 0.00019556  0.00627832  -0.04085172 121 PRO   A N     
152  C CA    . PRO   A 9   ? 0.14498657 0.16329308 0.07587734 0.00086264  0.00349395  -0.03523924 121 PRO   A CA    
153  C C     . PRO   A 9   ? 0.14372176 0.15861495 0.05686024 0.00540679  -0.00458020 -0.03014709 121 PRO   A C     
154  O O     . PRO   A 9   ? 0.14691292 0.15832117 0.06205271 0.00641780  -0.01194581 -0.02457660 121 PRO   A O     
155  C CB    . PRO   A 9   ? 0.15053640 0.17008251 0.09236357 0.00127332  0.01079080  -0.03991232 121 PRO   A CB    
156  C CG    . PRO   A 9   ? 0.15539184 0.17586702 0.10563650 -0.00156229 0.01225219  -0.04120679 121 PRO   A CG    
157  C CD    . PRO   A 9   ? 0.14924800 0.17246330 0.10207007 -0.00046277 0.00972558  -0.03957442 121 PRO   A CD    
158  H HA    . PRO   A 9   ? 0.14545015 0.16397187 0.07535530 0.00166248  0.00357852  -0.03575107 121 PRO   A HA    
159  H HB2   . PRO   A 9   ? 0.15031521 0.16993466 0.09133042 0.00071389  0.00987454  -0.03937351 121 PRO   A HB2   
160  H HB3   . PRO   A 9   ? 0.15030527 0.16970964 0.09208079 0.00086511  0.00994804  -0.03905790 121 PRO   A HB3   
161  H HG2   . PRO   A 9   ? 0.15454525 0.17453015 0.10288560 -0.00135660 0.01186515  -0.04087598 121 PRO   A HG2   
162  H HG3   . PRO   A 9   ? 0.15367514 0.17475048 0.10382266 -0.00105672 0.01189572  -0.04142845 121 PRO   A HG3   
163  H HD2   . PRO   A 9   ? 0.14978601 0.17222938 0.09946188 -0.00045515 0.01007308  -0.04029242 121 PRO   A HD2   
164  H HD3   . PRO   A 9   ? 0.14982916 0.17222868 0.09875762 -0.00027882 0.00976496  -0.04012405 121 PRO   A HD3   
165  N N     . LEU   A 10  ? 0.13740815 0.15375501 0.03703624 0.00692855  -0.00295499 -0.02259969 122 LEU   A N     
166  C CA    . LEU   A 10  ? 0.13979289 0.15279751 0.03492885 0.00784469  -0.00597297 -0.01926745 122 LEU   A CA    
167  C C     . LEU   A 10  ? 0.13802299 0.15061237 0.02553853 0.00924407  -0.00725237 -0.01508322 122 LEU   A C     
168  O O     . LEU   A 10  ? 0.13662963 0.15383735 0.03163150 0.00769657  -0.00818366 -0.01820549 122 LEU   A O     
169  C CB    . LEU   A 10  ? 0.14093846 0.15194348 0.03157846 0.00856011  -0.00513235 -0.02037091 122 LEU   A CB    
170  C CG    . LEU   A 10  ? 0.14616312 0.15615204 0.03967307 0.00791168  -0.00522307 -0.02436517 122 LEU   A CG    
171  C CD1   . LEU   A 10  ? 0.14857389 0.15887308 0.04092954 0.00904288  -0.00258709 -0.02403201 122 LEU   A CD1   
172  C CD2   . LEU   A 10  ? 0.15182674 0.16484219 0.04370975 0.00751748  -0.00878280 -0.02500828 122 LEU   A CD2   
173  H H     . LEU   A 10  ? 0.13865483 0.15447628 0.03864826 0.00703621  -0.00447216 -0.02285906 122 LEU   A H     
174  H HA    . LEU   A 10  ? 0.13950755 0.15255839 0.03425144 0.00803154  -0.00544076 -0.01939308 122 LEU   A HA    
175  H HB2   . LEU   A 10  ? 0.14121445 0.15263191 0.03268347 0.00831243  -0.00580757 -0.02060586 122 LEU   A HB2   
176  H HB3   . LEU   A 10  ? 0.14146280 0.15232985 0.03328185 0.00815372  -0.00523701 -0.02047238 122 LEU   A HB3   
177  H HG    . LEU   A 10  ? 0.14630662 0.15696138 0.03910109 0.00814656  -0.00528067 -0.02379570 122 LEU   A HG    
178  H HD11  . LEU   A 10  ? 0.14797521 0.15821145 0.04136158 0.00883011  -0.00304723 -0.02403044 122 LEU   A HD11  
179  H HD12  . LEU   A 10  ? 0.14795315 0.15836653 0.04103112 0.00881306  -0.00314783 -0.02392818 122 LEU   A HD12  
180  H HD13  . LEU   A 10  ? 0.14808361 0.15830612 0.04098922 0.00883840  -0.00317639 -0.02403105 122 LEU   A HD13  
181  H HD21  . LEU   A 10  ? 0.15119809 0.16294004 0.04288623 0.00757689  -0.00799299 -0.02477725 122 LEU   A HD21  
182  H HD22  . LEU   A 10  ? 0.15085192 0.16337928 0.04313247 0.00789385  -0.00811909 -0.02513819 122 LEU   A HD22  
183  H HD23  . LEU   A 10  ? 0.15073913 0.16368645 0.04303866 0.00758340  -0.00798995 -0.02452323 122 LEU   A HD23  
184  N N     . PRO   A 11  ? 0.14021483 0.14641191 0.02274664 0.01086184  -0.00738564 -0.01339870 123 PRO   A N     
185  C CA    . PRO   A 11  ? 0.14468428 0.14857575 0.01722603 0.01418726  -0.00801525 -0.01261747 123 PRO   A CA    
186  C C     . PRO   A 11  ? 0.14864641 0.14581691 0.02510496 0.01453441  -0.01063158 -0.01176404 123 PRO   A C     
187  O O     . PRO   A 11  ? 0.15942843 0.13490558 0.01892130 0.01191128  -0.01263035 -0.02115771 123 PRO   A O     
188  C CB    . PRO   A 11  ? 0.14372534 0.14904377 0.02332291 0.01403760  -0.00664616 -0.01373420 123 PRO   A CB    
189  C CG    . PRO   A 11  ? 0.14272940 0.15029417 0.02497267 0.01317650  -0.00735663 -0.01358515 123 PRO   A CG    
190  C CD    . PRO   A 11  ? 0.14068733 0.14731392 0.02457796 0.01097465  -0.00784434 -0.01454640 123 PRO   A CD    
191  H HA    . PRO   A 11  ? 0.14458521 0.14772348 0.01868221 0.01372404  -0.00804566 -0.01178261 123 PRO   A HA    
192  H HB2   . PRO   A 11  ? 0.14380047 0.14910787 0.02290200 0.01396523  -0.00700520 -0.01364315 123 PRO   A HB2   
193  H HB3   . PRO   A 11  ? 0.14368206 0.14908068 0.02294497 0.01398004  -0.00691789 -0.01356439 123 PRO   A HB3   
194  H HG2   . PRO   A 11  ? 0.14250390 0.14955038 0.02474822 0.01297174  -0.00728482 -0.01375481 123 PRO   A HG2   
195  H HG3   . PRO   A 11  ? 0.14250070 0.14963068 0.02482159 0.01303545  -0.00736078 -0.01383581 123 PRO   A HG3   
196  H HD2   . PRO   A 11  ? 0.14085586 0.14749290 0.02476948 0.01127411  -0.00767669 -0.01428208 123 PRO   A HD2   
197  H HD3   . PRO   A 11  ? 0.14086762 0.14741251 0.02492029 0.01117934  -0.00765864 -0.01441432 123 PRO   A HD3   
198  N N     . GLY   A 12  ? 0.14846608 0.15004079 0.02388467 0.01039287  -0.00855286 -0.01165741 124 GLY   A N     
199  C CA    . GLY   A 12  ? 0.15302488 0.15518177 0.02885573 0.00712682  -0.01319640 -0.00623401 124 GLY   A CA    
200  C C     . GLY   A 12  ? 0.15143430 0.15999901 0.02637642 0.00556822  -0.01555426 -0.00249202 124 GLY   A C     
201  O O     . GLY   A 12  ? 0.15847565 0.16631682 0.04877830 0.00144807  -0.01356754 0.00850244  124 GLY   A O     
202  H H     . GLY   A 12  ? 0.14909890 0.14998782 0.02476719 0.01063146  -0.00955994 -0.01055577 124 GLY   A H     
203  H HA2   . GLY   A 12  ? 0.15185714 0.15489018 0.02883869 0.00754583  -0.01264873 -0.00663882 124 GLY   A HA2   
204  H HA3   . GLY   A 12  ? 0.15189373 0.15485360 0.02787466 0.00754479  -0.01260896 -0.00677688 124 GLY   A HA3   
205  N N     . GLY   A 13  ? 0.15207218 0.16248930 0.02050779 0.00453429  -0.01128636 -0.00526636 125 GLY   A N     
206  C CA    . GLY   A 13  ? 0.15471190 0.16661276 0.02574429 0.00583687  -0.01333826 -0.00546849 125 GLY   A CA    
207  C C     . GLY   A 13  ? 0.16406471 0.16030255 0.02550559 0.00290322  -0.01362398 -0.00619862 125 GLY   A C     
208  O O     . GLY   A 13  ? 0.17523050 0.19154972 0.01667371 0.01272444  -0.01069184 -0.00090935 125 GLY   A O     
209  H H     . GLY   A 13  ? 0.15211110 0.16224910 0.02282304 0.00486190  -0.01219471 -0.00480003 125 GLY   A H     
210  H HA2   . GLY   A 13  ? 0.15560409 0.16545270 0.02479806 0.00523729  -0.01279491 -0.00556491 125 GLY   A HA2   
211  H HA3   . GLY   A 13  ? 0.15570328 0.16497071 0.02499625 0.00512500  -0.01290768 -0.00546114 125 GLY   A HA3   
212  N N     . VAL   A 14  ? 0.16382357 0.16439009 0.02450762 -0.00120687 -0.01435855 -0.00115486 126 VAL   A N     
213  C CA    . VAL   A 14  ? 0.17122051 0.16421530 0.02495454 -0.00437408 -0.01187098 -0.00621661 126 VAL   A CA    
214  C C     . VAL   A 14  ? 0.17768864 0.16406670 0.03553835 -0.00698157 -0.01249026 -0.00872390 126 VAL   A C     
215  O O     . VAL   A 14  ? 0.18754612 0.16814567 0.05274656 -0.01239160 -0.02082861 -0.01443477 126 VAL   A O     
216  C CB    . VAL   A 14  ? 0.17531848 0.16704671 0.02407021 -0.00572819 -0.00450848 -0.00946194 126 VAL   A CB    
217  C CG1   . VAL   A 14  ? 0.17943816 0.16819826 0.03117438 -0.00648385 -0.00501366 -0.00995500 126 VAL   A CG1   
218  C CG2   . VAL   A 14  ? 0.17551032 0.16231486 0.02003421 -0.00556332 -0.00240772 -0.00856174 126 VAL   A CG2   
219  H H     . VAL   A 14  ? 0.16431399 0.16368507 0.02427007 -0.00070493 -0.01423750 -0.00286979 126 VAL   A H     
220  H HA    . VAL   A 14  ? 0.17106512 0.16479409 0.02645472 -0.00428373 -0.01156604 -0.00611709 126 VAL   A HA    
221  H HB    . VAL   A 14  ? 0.17512667 0.16609873 0.02417169 -0.00555976 -0.00515878 -0.00890938 126 VAL   A HB    
222  H HG11  . VAL   A 14  ? 0.17850672 0.16783729 0.03114473 -0.00630263 -0.00502753 -0.00983055 126 VAL   A HG11  
223  H HG12  . VAL   A 14  ? 0.17886478 0.16784588 0.03000256 -0.00637442 -0.00473219 -0.00980198 126 VAL   A HG12  
224  H HG13  . VAL   A 14  ? 0.17861155 0.16800977 0.02995341 -0.00644331 -0.00494500 -0.00970417 126 VAL   A HG13  
225  H HG21  . VAL   A 14  ? 0.17531246 0.16286166 0.02094589 -0.00546199 -0.00281731 -0.00876360 126 VAL   A HG21  
226  H HG22  . VAL   A 14  ? 0.17523965 0.16307577 0.02107063 -0.00573369 -0.00281174 -0.00858780 126 VAL   A HG22  
227  H HG23  . VAL   A 14  ? 0.17530106 0.16311145 0.02009048 -0.00554229 -0.00282666 -0.00850974 126 VAL   A HG23  
228  N N     . VAL   A 15  ? 0.18296751 0.16484743 0.03534058 -0.01182509 -0.00577804 -0.01008912 127 VAL   A N     
229  C CA    . VAL   A 15  ? 0.18233745 0.16626415 0.04490976 -0.01144147 -0.00046799 -0.01003867 127 VAL   A CA    
230  C C     . VAL   A 15  ? 0.17425545 0.15573367 0.04015312 -0.01299787 -0.00523425 -0.00806541 127 VAL   A C     
231  O O     . VAL   A 15  ? 0.16433915 0.15051907 0.04324561 -0.01485230 -0.00146432 -0.00626918 127 VAL   A O     
232  C CB    . VAL   A 15  ? 0.19564383 0.17741063 0.07806023 -0.00390021 0.00417234  -0.00708016 127 VAL   A CB    
233  C CG1   . VAL   A 15  ? 0.20597513 0.18823171 0.08109477 0.00043269  0.00594528  -0.00546723 127 VAL   A CG1   
234  C CG2   . VAL   A 15  ? 0.19351944 0.17943197 0.08665767 -0.00209888 0.00542092  -0.00860697 127 VAL   A CG2   
235  H H     . VAL   A 15  ? 0.18142043 0.16471681 0.03677568 -0.01101630 -0.00634528 -0.01010187 127 VAL   A H     
236  H HA    . VAL   A 15  ? 0.18251754 0.16537882 0.04608604 -0.01084948 -0.00152063 -0.00916935 127 VAL   A HA    
237  H HB    . VAL   A 15  ? 0.19416900 0.17724974 0.07335120 -0.00390163 0.00386995  -0.00775799 127 VAL   A HB    
238  H HG11  . VAL   A 15  ? 0.20401597 0.18633200 0.08030963 0.00000428  0.00517068  -0.00622066 127 VAL   A HG11  
239  H HG12  . VAL   A 15  ? 0.20530148 0.18603493 0.08139189 -0.00008957 0.00549989  -0.00570876 127 VAL   A HG12  
240  H HG13  . VAL   A 15  ? 0.20419212 0.18626176 0.08057709 -0.00065003 0.00553119  -0.00589448 127 VAL   A HG13  
241  H HG21  . VAL   A 15  ? 0.19393823 0.17880139 0.08495219 -0.00233672 0.00494780  -0.00818096 127 VAL   A HG21  
242  H HG22  . VAL   A 15  ? 0.19370414 0.17851703 0.08559582 -0.00249714 0.00465988  -0.00805439 127 VAL   A HG22  
243  H HG23  . VAL   A 15  ? 0.19420069 0.17905439 0.08512781 -0.00217840 0.00457989  -0.00830185 127 VAL   A HG23  
244  N N     . PRO   A 16  ? 0.17445034 0.16200081 0.04347516 -0.01477446 -0.00289357 -0.00588309 128 PRO   A N     
245  C CA    . PRO   A 16  ? 0.17481351 0.16257066 0.04529817 -0.01500222 -0.00017684 -0.00187934 128 PRO   A CA    
246  C C     . PRO   A 16  ? 0.17353946 0.15949132 0.05005484 -0.01317316 -0.00113624 0.00405053  128 PRO   A C     
247  O O     . PRO   A 16  ? 0.18034516 0.15813705 0.04868820 -0.01221269 0.00277852  0.00369381  128 PRO   A O     
248  C CB    . PRO   A 16  ? 0.18064304 0.16644804 0.05349442 -0.01948930 -0.00142559 -0.00648311 128 PRO   A CB    
249  C CG    . PRO   A 16  ? 0.18186000 0.17156464 0.05355009 -0.01878434 -0.00129038 -0.00776856 128 PRO   A CG    
250  C CD    . PRO   A 16  ? 0.18001685 0.16606885 0.05024327 -0.01912885 -0.00233971 -0.00535773 128 PRO   A CD    
251  H HA    . PRO   A 16  ? 0.17521136 0.16240422 0.04708502 -0.01510331 -0.00105850 -0.00206264 128 PRO   A HA    
252  H HB2   . PRO   A 16  ? 0.17985886 0.16682816 0.05221745 -0.01876827 -0.00116502 -0.00581263 128 PRO   A HB2   
253  H HB3   . PRO   A 16  ? 0.18012670 0.16664383 0.05250514 -0.01882042 -0.00147491 -0.00564004 128 PRO   A HB3   
254  H HG2   . PRO   A 16  ? 0.18153967 0.17037022 0.05300606 -0.01863964 -0.00135074 -0.00710896 128 PRO   A HG2   
255  H HG3   . PRO   A 16  ? 0.18153265 0.17026392 0.05299924 -0.01909266 -0.00136464 -0.00723944 128 PRO   A HG3   
256  H HD2   . PRO   A 16  ? 0.17931935 0.16632345 0.04968033 -0.01843120 -0.00227633 -0.00575460 128 PRO   A HD2   
257  H HD3   . PRO   A 16  ? 0.17931727 0.16610232 0.04985787 -0.01827364 -0.00223021 -0.00587663 128 PRO   A HD3   
258  N N     A ARG   A 17  ? 0.17482138 0.16228813 0.04970200 -0.01180594 -0.00317555 0.00395384  129 ARG   A N     
259  N N     B ARG   A 17  ? 0.17442892 0.16135971 0.04882922 -0.01267461 -0.00567381 0.00461122  129 ARG   A N     
260  C CA    A ARG   A 17  ? 0.17748041 0.16769588 0.05405303 -0.01106344 -0.00634385 0.00604617  129 ARG   A CA    
261  C CA    B ARG   A 17  ? 0.17772308 0.16558009 0.05256236 -0.01263333 -0.00954891 0.00622605  129 ARG   A CA    
262  C C     A ARG   A 17  ? 0.17178580 0.16481215 0.05043174 -0.00873092 -0.00946484 0.00900555  129 ARG   A C     
263  C C     B ARG   A 17  ? 0.17160246 0.16289271 0.05051418 -0.00917669 -0.01096803 0.00913441  129 ARG   A C     
264  O O     A ARG   A 17  ? 0.17435992 0.17503904 0.05483298 -0.00948868 -0.01250078 0.01323362  129 ARG   A O     
265  O O     B ARG   A 17  ? 0.17242143 0.16765550 0.05490083 -0.00793537 -0.01375081 0.01324384  129 ARG   A O     
266  C CB    A ARG   A 17  ? 0.19020097 0.17326052 0.06512555 -0.00981327 -0.00693423 0.00956748  129 ARG   A CB    
267  C CB    B ARG   A 17  ? 0.18986227 0.17081895 0.06090502 -0.01296567 -0.01373895 0.00969113  129 ARG   A CB    
268  C CG    A ARG   A 17  ? 0.19846117 0.18304725 0.08140703 -0.01324289 -0.00507210 0.01046718  129 ARG   A CG    
269  C CG    B ARG   A 17  ? 0.19624890 0.17821136 0.07387733 -0.01739131 -0.01453259 0.01007411  129 ARG   A CG    
270  C CD    A ARG   A 17  ? 0.21146275 0.18974496 0.09998054 -0.01289725 -0.00827530 0.01525259  129 ARG   A CD    
271  C CD    B ARG   A 17  ? 0.20807174 0.18586591 0.08668809 -0.01717651 -0.01969187 0.01500494  129 ARG   A CD    
272  N NE    A ARG   A 17  ? 0.22617282 0.20084280 0.11970753 -0.00666260 -0.00372163 0.00961889  129 ARG   A NE    
273  N NE    B ARG   A 17  ? 0.21831128 0.19518796 0.10233100 -0.01423892 -0.02179492 0.00885916  129 ARG   A NE    
274  C CZ    A ARG   A 17  ? 0.23961259 0.21311237 0.13264088 -0.00890181 -0.00956020 0.00538475  129 ARG   A CZ    
275  C CZ    B ARG   A 17  ? 0.22710475 0.21125187 0.12893003 -0.00994779 -0.01902655 0.00602391  129 ARG   A CZ    
276  N NH1   A ARG   A 17  ? 0.24888918 0.22141770 0.14607367 -0.00455464 -0.00930821 -0.00010973 129 ARG   A NH1   
277  N NH1   B ARG   A 17  ? 0.23807003 0.21980692 0.13916114 -0.00757656 -0.01745693 0.00113899  129 ARG   A NH1   
278  N NH2   A ARG   A 17  ? 0.24080327 0.21504314 0.13302869 -0.01041287 -0.01106988 0.00326364  129 ARG   A NH2   
279  N NH2   B ARG   A 17  ? 0.22802560 0.21728460 0.14527981 -0.00913895 -0.02168263 0.00192170  129 ARG   A NH2   
280  H H     A ARG   A 17  ? 0.17480861 0.16250753 0.05063329 -0.01186867 -0.00326979 0.00427473  129 ARG   A H     
281  H H     B ARG   A 17  ? 0.17462240 0.16161156 0.04986404 -0.01267955 -0.00539648 0.00472928  129 ARG   A H     
282  H HA    A ARG   A 17  ? 0.17770727 0.16699852 0.05409920 -0.01061235 -0.00626970 0.00656553  129 ARG   A HA    
283  H HA    B ARG   A 17  ? 0.17777565 0.16508865 0.05257104 -0.01210652 -0.00956551 0.00675551  129 ARG   A HA    
284  H HB2   A ARG   A 17  ? 0.18876526 0.17350927 0.06547655 -0.01059023 -0.00643881 0.00922922  129 ARG   A HB2   
285  H HB2   B ARG   A 17  ? 0.18932086 0.17127933 0.06221218 -0.01347694 -0.01269343 0.00903878  129 ARG   A HB2   
286  H HB3   A ARG   A 17  ? 0.18877020 0.17358261 0.06543548 -0.01051670 -0.00646501 0.00915900  129 ARG   A HB3   
287  H HB3   B ARG   A 17  ? 0.18861231 0.17099924 0.06151990 -0.01359531 -0.01303193 0.00917714  129 ARG   A HB3   
288  H HG2   A ARG   A 17  ? 0.19885215 0.18199399 0.08098619 -0.01247178 -0.00566509 0.01112075  129 ARG   A HG2   
289  H HG2   B ARG   A 17  ? 0.19676387 0.17774838 0.07334713 -0.01645698 -0.01517261 0.01075226  129 ARG   A HG2   
290  H HG3   A ARG   A 17  ? 0.19892122 0.18191683 0.08115692 -0.01247746 -0.00542527 0.01112478  129 ARG   A HG3   
291  H HG3   B ARG   A 17  ? 0.19682068 0.17780843 0.07344164 -0.01647934 -0.01518522 0.01081233  129 ARG   A HG3   
292  H HD2   A ARG   A 17  ? 0.21090838 0.19016889 0.09907160 -0.01193796 -0.00713593 0.01352409  129 ARG   A HD2   
293  H HD2   B ARG   A 17  ? 0.20766810 0.18585195 0.08659717 -0.01684544 -0.01899141 0.01323491  129 ARG   A HD2   
294  H HD3   A ARG   A 17  ? 0.21127003 0.19018213 0.09932930 -0.01190422 -0.00691704 0.01351224  129 ARG   A HD3   
295  H HD3   B ARG   A 17  ? 0.20764527 0.18584324 0.08659402 -0.01686384 -0.01893350 0.01325449  129 ARG   A HD3   
296  H HE    A ARG   A 17  ? 0.22537071 0.20050775 0.11784028 -0.00802343 -0.00539691 0.01021641  129 ARG   A HE    
297  H HE    B ARG   A 17  ? 0.21732426 0.19550157 0.10292439 -0.01425890 -0.02123439 0.00950689  129 ARG   A HE    
298  H HH11  A ARG   A 17  ? 0.24757677 0.21961951 0.14350158 -0.00510354 -0.00867201 0.00164572  129 ARG   A HH11  
299  H HH11  B ARG   A 17  ? 0.23686421 0.21796872 0.13681848 -0.00811539 -0.01778897 0.00246101  129 ARG   A HH11  
300  H HH12  A ARG   A 17  ? 0.24792191 0.21942161 0.14299197 -0.00550799 -0.00916099 0.00134895  129 ARG   A HH12  
301  H HH12  B ARG   A 17  ? 0.23660231 0.21818346 0.13711098 -0.00759860 -0.01725044 0.00269987  129 ARG   A HH12  
302  H HH21  A ARG   A 17  ? 0.24054052 0.21444537 0.13268696 -0.01027968 -0.01089487 0.00372908  129 ARG   A HH21  
303  H HH21  B ARG   A 17  ? 0.22804371 0.21608248 0.14159165 -0.00915269 -0.02112003 0.00313877  129 ARG   A HH21  
304  H HH22  A ARG   A 17  ? 0.24058819 0.21451747 0.13281043 -0.01024307 -0.01084217 0.00381799  129 ARG   A HH22  
305  H HH22  B ARG   A 17  ? 0.22782603 0.21645314 0.14204006 -0.00924554 -0.02122689 0.00350307  129 ARG   A HH22  
306  N N     . MET   A 18  ? 0.16094097 0.16044435 0.04807170 -0.00898972 -0.01137721 0.00677037  130 MET   A N     
307  C CA    . MET   A 18  ? 0.15755728 0.16098599 0.04500499 -0.00688087 -0.00958391 0.00410264  130 MET   A CA    
308  C C     . MET   A 18  ? 0.15308721 0.15433721 0.05622705 -0.00379449 -0.00849764 0.00529830  130 MET   A C     
309  O O     . MET   A 18  ? 0.15379816 0.15781444 0.05727779 -0.00063554 -0.01148930 -0.00121188 130 MET   A O     
310  C CB    . MET   A 18  ? 0.15780212 0.17180271 0.04404876 -0.00894366 -0.00999777 0.00455246  130 MET   A CB    
311  C CG    . MET   A 18  ? 0.16102323 0.18320014 0.03963599 -0.01252981 -0.01300574 0.00913219  130 MET   A CG    
312  S SD    . MET   A 18  ? 0.17992306 0.21957894 0.04047409 -0.01773937 -0.00984919 0.00598740  130 MET   A SD    
313  C CE    . MET   A 18  ? 0.18060687 0.21173909 0.04657358 -0.01815812 -0.01101219 -0.00015473 130 MET   A CE    
314  H H     . MET   A 18  ? 0.16290960 0.16159286 0.04763657 -0.00893550 -0.01147375 0.00689496  130 MET   A H     
315  H HA    . MET   A 18  ? 0.15776944 0.16155520 0.04836460 -0.00677826 -0.01004426 0.00467025  130 MET   A HA    
316  H HB2   . MET   A 18  ? 0.15827912 0.17156649 0.04347100 -0.00921471 -0.01038439 0.00514764  130 MET   A HB2   
317  H HB3   . MET   A 18  ? 0.15818392 0.17147183 0.04360467 -0.00915725 -0.01036686 0.00515465  130 MET   A HB3   
318  H HG2   . MET   A 18  ? 0.16247089 0.18457785 0.04095098 -0.01226705 -0.01201182 0.00791580  130 MET   A HG2   
319  H HG3   . MET   A 18  ? 0.16171122 0.18490297 0.04073874 -0.01191856 -0.01240661 0.00823061  130 MET   A HG3   
320  H HE1   . MET   A 18  ? 0.18049964 0.21295790 0.04667994 -0.01804080 -0.01072903 0.00096469  130 MET   A HE1   
321  H HE2   . MET   A 18  ? 0.18048182 0.21238337 0.04569763 -0.01797017 -0.01065308 0.00077302  130 MET   A HE2   
322  H HE3   . MET   A 18  ? 0.18056977 0.21298188 0.04580108 -0.01809080 -0.01062496 0.00094375  130 MET   A HE3   
323  N N     . LEU   A 19  ? 0.15066530 0.14977945 0.06381801 0.00045184  -0.00912270 -0.00035005 131 LEU   A N     
324  C CA    . LEU   A 19  ? 0.15656063 0.14906716 0.07479718 0.00190950  -0.01009683 -0.00281055 131 LEU   A CA    
325  C C     . LEU   A 19  ? 0.14727658 0.14695331 0.08387838 0.00463375  -0.00843155 -0.00594430 131 LEU   A C     
326  O O     . LEU   A 19  ? 0.14785403 0.14765939 0.11184129 0.00573625  -0.00778844 -0.00635664 131 LEU   A O     
327  C CB    . LEU   A 19  ? 0.17373374 0.15762363 0.07830209 0.00161557  -0.01544456 -0.00151723 131 LEU   A CB    
328  C CG    . LEU   A 19  ? 0.18988788 0.16461590 0.08905859 -0.00309106 -0.01562950 -0.00646240 131 LEU   A CG    
329  C CD1   . LEU   A 19  ? 0.19210027 0.16447140 0.08829641 -0.00358883 -0.01073023 -0.00387048 131 LEU   A CD1   
330  C CD2   . LEU   A 19  ? 0.20237505 0.17227960 0.09299275 -0.00435526 -0.02253309 -0.00784097 131 LEU   A CD2   
331  H H     . LEU   A 19  ? 0.15147482 0.15054961 0.06425928 0.00025783  -0.00921723 0.00034967  131 LEU   A H     
332  H HA    . LEU   A 19  ? 0.15630023 0.15003204 0.07444648 0.00198065  -0.01015182 -0.00268228 131 LEU   A HA    
333  H HB2   . LEU   A 19  ? 0.17307784 0.15718795 0.07967038 0.00129637  -0.01448769 -0.00265436 131 LEU   A HB2   
334  H HB3   . LEU   A 19  ? 0.17293796 0.15703353 0.07962365 0.00105183  -0.01438026 -0.00256500 131 LEU   A HB3   
335  H HG    . LEU   A 19  ? 0.18903615 0.16452925 0.08787167 -0.00235195 -0.01588781 -0.00547607 131 LEU   A HG    
336  H HD11  . LEU   A 19  ? 0.19102626 0.16421998 0.08866606 -0.00348063 -0.01155481 -0.00433533 131 LEU   A HD11  
337  H HD12  . LEU   A 19  ? 0.19121383 0.16455971 0.08848708 -0.00352439 -0.01157223 -0.00423675 131 LEU   A HD12  
338  H HD13  . LEU   A 19  ? 0.19131249 0.16428228 0.08859646 -0.00360515 -0.01157561 -0.00431459 131 LEU   A HD13  
339  H HD21  . LEU   A 19  ? 0.20131461 0.17171459 0.09333780 -0.00430778 -0.02093729 -0.00755218 131 LEU   A HD21  
340  H HD22  . LEU   A 19  ? 0.20034252 0.17135713 0.09263641 -0.00362291 -0.02121235 -0.00788442 131 LEU   A HD22  
341  H HD23  . LEU   A 19  ? 0.19997585 0.17119211 0.09268957 -0.00401532 -0.02096754 -0.00741188 131 LEU   A HD23  
342  N N     . ILE   A 20  ? 0.14030877 0.14703323 0.07019287 0.00541996  -0.00239578 -0.00591653 132 ILE   A N     
343  C CA    . ILE   A 20  ? 0.14288253 0.15178996 0.08088084 0.00459625  0.00369924  -0.00863235 132 ILE   A CA    
344  C C     . ILE   A 20  ? 0.14258362 0.15197557 0.08897537 0.00393470  0.00723653  -0.01525546 132 ILE   A C     
345  O O     . ILE   A 20  ? 0.14613977 0.16202657 0.10078269 0.00374569  0.01037081  -0.02930136 132 ILE   A O     
346  C CB    . ILE   A 20  ? 0.15464765 0.16524836 0.09102745 0.00711148  0.00086034  0.00374082  132 ILE   A CB    
347  C CG1   . ILE   A 20  ? 0.16928026 0.17550856 0.08780938 0.01143394  0.00173272  0.00273799  132 ILE   A CG1   
348  C CG2   . ILE   A 20  ? 0.15918656 0.17274456 0.09550241 0.00426351  0.00077434  0.01082154  132 ILE   A CG2   
349  C CD1   . ILE   A 20  ? 0.17747581 0.17757145 0.09849770 0.00886242  0.00025404  0.00408369  132 ILE   A CD1   
350  H H     . ILE   A 20  ? 0.14126429 0.14817581 0.07485845 0.00529996  -0.00252354 -0.00622342 132 ILE   A H     
351  H HA    . ILE   A 20  ? 0.14336760 0.15242583 0.08181662 0.00522003  0.00307506  -0.00760865 132 ILE   A HA    
352  H HB    . ILE   A 20  ? 0.15495297 0.16491047 0.08972841 0.00699951  0.00152667  0.00271558  132 ILE   A HB    
353  H HG12  . ILE   A 20  ? 0.16765259 0.17400481 0.08952975 0.01034956  0.00173798  0.00360305  132 ILE   A HG12  
354  H HG13  . ILE   A 20  ? 0.16778958 0.17413154 0.09032628 0.01030893  0.00150935  0.00303792  132 ILE   A HG13  
355  H HG21  . ILE   A 20  ? 0.15837304 0.17125395 0.09463732 0.00492575  0.00091941  0.00921331  132 ILE   A HG21  
356  H HG22  . ILE   A 20  ? 0.15889101 0.17130601 0.09467667 0.00463296  0.00077517  0.00945801  132 ILE   A HG22  
357  H HG23  . ILE   A 20  ? 0.15820177 0.17187853 0.09516855 0.00492764  0.00091976  0.00999735  132 ILE   A HG23  
358  H HD11  . ILE   A 20  ? 0.17518368 0.17680496 0.09729866 0.00938267  0.00027547  0.00331500  132 ILE   A HD11  
359  H HD12  . ILE   A 20  ? 0.17553425 0.17744324 0.09689271 0.00931626  0.00055699  0.00418694  132 ILE   A HD12  
360  H HD13  . ILE   A 20  ? 0.17585418 0.17736882 0.09653090 0.00897259  0.00065927  0.00364889  132 ILE   A HD13  
361  N N     . THR   A 21  ? 0.14461999 0.15009418 0.09123357 0.00163029  0.00692885  -0.02019293 133 THR   A N     
362  C CA    . THR   A 21  ? 0.14864191 0.15397717 0.08817569 0.00071413  0.00805843  -0.02226624 133 THR   A CA    
363  C C     . THR   A 21  ? 0.14948936 0.15552932 0.07848944 -0.00041596 0.01283210  -0.02504170 133 THR   A C     
364  O O     . THR   A 21  ? 0.15338881 0.16078074 0.10113987 0.00186877  0.02027127  -0.03047958 133 THR   A O     
365  C CB    . THR   A 21  ? 0.15078892 0.16066098 0.08941725 0.00004976  0.00477590  -0.02200118 133 THR   A CB    
366  O OG1   . THR   A 21  ? 0.16018713 0.17003922 0.09839983 -0.00448396 0.00429508  -0.01427540 133 THR   A OG1   
367  C CG2   . THR   A 21  ? 0.15626709 0.16609658 0.08710335 -0.00104627 0.00381203  -0.02315015 133 THR   A CG2   
368  H H     . THR   A 21  ? 0.14475992 0.15116997 0.09038565 0.00199751  0.00715542  -0.01944458 133 THR   A H     
369  H HA    . THR   A 21  ? 0.14847904 0.15441525 0.08691708 0.00055764  0.00807574  -0.02218928 133 THR   A HA    
370  H HB    . THR   A 21  ? 0.15161319 0.16147858 0.09041557 -0.00021806 0.00544351  -0.02119069 133 THR   A HB    
371  H HG1   . THR   A 21  ? 0.15046194 0.15046194 0.15046194 0.00000000  0.00000000  0.00000000  133 THR   A HG1   
372  H HG21  . THR   A 21  ? 0.15528448 0.16500492 0.08789258 -0.00081282 0.00407527  -0.02288285 133 THR   A HG21  
373  H HG22  . THR   A 21  ? 0.15560380 0.16505471 0.08786136 -0.00094737 0.00385604  -0.02275467 133 THR   A HG22  
374  H HG23  . THR   A 21  ? 0.15534554 0.16514741 0.08781018 -0.00061783 0.00396889  -0.02295797 133 THR   A HG23  
375  N N     . ILE   A 22  ? 0.14507277 0.15297988 0.06088112 -0.00215547 0.01613119  -0.02200829 134 ILE   A N     
376  C CA    . ILE   A 22  ? 0.14948869 0.15393479 0.05066816 -0.00552814 0.01744846  -0.02500879 134 ILE   A CA    
377  C C     . ILE   A 22  ? 0.14778326 0.15176146 0.04294248 -0.00434576 0.01724404  -0.02111659 134 ILE   A C     
378  O O     . ILE   A 22  ? 0.14988348 0.15804876 0.04388074 -0.00773597 0.01936821  -0.02528306 134 ILE   A O     
379  C CB    . ILE   A 22  ? 0.15893537 0.15926731 0.05578290 -0.00466220 0.01616149  -0.02265580 134 ILE   A CB    
380  C CG1   . ILE   A 22  ? 0.17362206 0.17206278 0.06397692 -0.01070993 0.00874978  -0.02464814 134 ILE   A CG1   
381  C CG2   . ILE   A 22  ? 0.16104452 0.15895905 0.05261574 -0.00575797 0.01197022  -0.02076352 134 ILE   A CG2   
382  C CD1   . ILE   A 22  ? 0.18069807 0.18467340 0.08525932 -0.00642086 0.01106711  -0.02309358 134 ILE   A CD1   
383  H H     . ILE   A 22  ? 0.14561741 0.15365918 0.06232877 -0.00230394 0.01617469  -0.02310961 134 ILE   A H     
384  H HA    . ILE   A 22  ? 0.14949778 0.15443477 0.05204304 -0.00452435 0.01728268  -0.02362471 134 ILE   A HA    
385  H HB    . ILE   A 22  ? 0.15881199 0.15975195 0.05532648 -0.00540654 0.01539423  -0.02318548 134 ILE   A HB    
386  H HG12  . ILE   A 22  ? 0.17178005 0.17156532 0.06545980 -0.00861562 0.01075080  -0.02372692 134 ILE   A HG12  
387  H HG13  . ILE   A 22  ? 0.17185374 0.17158155 0.06554688 -0.00882572 0.01087293  -0.02375320 134 ILE   A HG13  
388  H HG21  . ILE   A 22  ? 0.16044649 0.15885067 0.05320396 -0.00542828 0.01258010  -0.02102391 134 ILE   A HG21  
389  H HG22  . ILE   A 22  ? 0.16092113 0.15894297 0.05345003 -0.00561102 0.01251114  -0.02107223 134 ILE   A HG22  
390  H HG23  . ILE   A 22  ? 0.16052723 0.15878004 0.05316551 -0.00554785 0.01270087  -0.02121236 134 ILE   A HG23  
391  H HD11  . ILE   A 22  ? 0.17949112 0.18249489 0.08086286 -0.00626627 0.01068583  -0.02359855 134 ILE   A HD11  
392  H HD12  . ILE   A 22  ? 0.17946528 0.18259959 0.08203147 -0.00624596 0.01181004  -0.02228238 134 ILE   A HD12  
393  H HD13  . ILE   A 22  ? 0.17890340 0.18191710 0.08096056 -0.00712970 0.01163012  -0.02384506 134 ILE   A HD13  
394  N N     . LEU   A 23  ? 0.14858702 0.14790298 0.03477687 -0.00354956 0.01517728  -0.01969739 135 LEU   A N     
395  C CA    . LEU   A 23  ? 0.15435103 0.15219069 0.03037445 -0.00360424 0.01334871  -0.01623159 135 LEU   A CA    
396  C C     . LEU   A 23  ? 0.15055618 0.14946622 0.02616919 -0.00595734 0.01769315  -0.01847697 135 LEU   A C     
397  O O     . LEU   A 23  ? 0.15064770 0.14741120 0.01960593 -0.00897418 0.01510050  -0.01802820 135 LEU   A O     
398  C CB    . LEU   A 23  ? 0.16297306 0.16552746 0.04706033 0.00275260  0.00797319  -0.01131325 135 LEU   A CB    
399  C CG    . LEU   A 23  ? 0.18130872 0.17525676 0.06179311 0.00587403  0.00109509  -0.00255704 135 LEU   A CG    
400  C CD1   . LEU   A 23  ? 0.19231738 0.18347006 0.06519973 0.01468664  0.00288165  -0.00518880 135 LEU   A CD1   
401  C CD2   . LEU   A 23  ? 0.18433371 0.18828735 0.07426757 0.01243600  0.00985337  0.00319350  135 LEU   A CD2   
402  H H     . LEU   A 23  ? 0.14893898 0.14926198 0.03575855 -0.00348596 0.01569487  -0.01959414 135 LEU   A H     
403  H HA    . LEU   A 23  ? 0.15387030 0.15274346 0.03257688 -0.00307575 0.01375300  -0.01626056 135 LEU   A HA    
404  H HB2   . LEU   A 23  ? 0.16352686 0.16423652 0.04609857 0.00215761  0.00813486  -0.01079302 135 LEU   A HB2   
405  H HB3   . LEU   A 23  ? 0.16355127 0.16429192 0.04601632 0.00226869  0.00828956  -0.01056814 135 LEU   A HB3   
406  H HG    . LEU   A 23  ? 0.17955537 0.17563170 0.06071715 0.00710599  0.00334066  -0.00381026 135 LEU   A HG    
407  H HD11  . LEU   A 23  ? 0.18977073 0.18172884 0.06485045 0.01303796  0.00275654  -0.00464872 135 LEU   A HD11  
408  H HD12  . LEU   A 23  ? 0.18999553 0.18251729 0.06505354 0.01345732  0.00252943  -0.00512405 135 LEU   A HD12  
409  H HD13  . LEU   A 23  ? 0.19040103 0.18210919 0.06496405 0.01361100  0.00312826  -0.00424966 135 LEU   A HD13  
410  H HD21  . LEU   A 23  ? 0.18360639 0.18490800 0.07061747 0.01093066  0.00837150  0.00182307  135 LEU   A HD21  
411  H HD22  . LEU   A 23  ? 0.18437688 0.18593821 0.07178129 0.01205915  0.00891551  0.00277889  135 LEU   A HD22  
412  H HD23  . LEU   A 23  ? 0.18373644 0.18591136 0.07153931 0.01150816  0.00807260  0.00169975  135 LEU   A HD23  
413  N N     . GLY   A 24  ? 0.15588392 0.14874993 0.02378644 -0.00723076 0.02462168  -0.01628270 136 GLY   A N     
414  C CA    . GLY   A 24  ? 0.16236928 0.14902483 0.03130637 -0.00738126 0.02662961  -0.01502453 136 GLY   A CA    
415  C C     . GLY   A 24  ? 0.16402993 0.15031013 0.02706273 -0.00889714 0.02455129  -0.01532095 136 GLY   A C     
416  O O     . GLY   A 24  ? 0.17569405 0.15794554 0.03116076 -0.01119684 0.02499186  -0.00634554 136 GLY   A O     
417  H H     . GLY   A 24  ? 0.15498428 0.14905329 0.02476780 -0.00702352 0.02443377  -0.01648249 136 GLY   A H     
418  H HA2   . GLY   A 24  ? 0.16182324 0.14927247 0.02940682 -0.00755994 0.02597266  -0.01542125 136 GLY   A HA2   
419  H HA3   . GLY   A 24  ? 0.16181593 0.14932823 0.03038391 -0.00761392 0.02649459  -0.01560385 136 GLY   A HA3   
420  N N     . THR   A 25  ? 0.16321981 0.14936002 0.02273227 -0.00736054 0.02391334  -0.01504485 137 THR   A N     
421  C CA    . THR   A 25  ? 0.16564140 0.14903741 0.03042718 -0.00399632 0.01849103  -0.01569783 137 THR   A CA    
422  C C     . THR   A 25  ? 0.16604924 0.15014143 0.01989188 -0.00398937 0.01707717  -0.01673438 137 THR   A C     
423  O O     . THR   A 25  ? 0.17947383 0.15863760 0.01848464 -0.00245003 0.01683122  -0.01359165 137 THR   A O     
424  C CB    . THR   A 25  ? 0.17074087 0.15319584 0.04117575 -0.00602688 0.01210204  -0.01539874 137 THR   A CB    
425  O OG1   . THR   A 25  ? 0.17844777 0.15877180 0.07064718 -0.00349754 0.00145295  -0.01131920 137 THR   A OG1   
426  C CG2   . THR   A 25  ? 0.17044136 0.15311919 0.04335403 -0.00791513 0.01235207  -0.01569134 137 THR   A CG2   
427  H H     . THR   A 25  ? 0.16336587 0.14943025 0.02322950 -0.00719898 0.02419970  -0.01477009 137 THR   A H     
428  H HA    . THR   A 25  ? 0.16605814 0.14985308 0.02937780 -0.00460422 0.01793818  -0.01560077 137 THR   A HA    
429  H HB    . THR   A 25  ? 0.17049688 0.15329444 0.04312985 -0.00572395 0.01225968  -0.01452213 137 THR   A HB    
430  H HG1   . THR   A 25  ? 0.14537056 0.14537056 0.14537056 0.00000000  0.00000000  0.00000000  137 THR   A HG1   
431  H HG21  . THR   A 25  ? 0.17037709 0.15302192 0.04290763 -0.00760074 0.01231187  -0.01569560 137 THR   A HG21  
432  H HG22  . THR   A 25  ? 0.17040852 0.15302688 0.04291273 -0.00753858 0.01222981  -0.01567781 137 THR   A HG22  
433  H HG23  . THR   A 25  ? 0.17046046 0.15310267 0.04288643 -0.00763128 0.01239662  -0.01576775 137 THR   A HG23  
434  N N     . VAL   A 26  ? 0.16511826 0.15478976 0.01902602 -0.00192817 0.01392780  -0.01616720 138 VAL   A N     
435  C CA    . VAL   A 26  ? 0.17372692 0.16045086 0.02973564 0.00047587  0.01030408  -0.01379256 138 VAL   A CA    
436  C C     . VAL   A 26  ? 0.18033276 0.16464728 0.03389488 -0.00312213 0.00280629  -0.01512515 138 VAL   A C     
437  O O     . VAL   A 26  ? 0.19042005 0.16643104 0.02881664 -0.00651793 0.00174615  -0.01219043 138 VAL   A O     
438  C CB    . VAL   A 26  ? 0.17543839 0.16291465 0.05032420 0.00169152  0.01384384  -0.01406711 138 VAL   A CB    
439  C CG1   . VAL   A 26  ? 0.17378265 0.16066241 0.05071998 0.00177114  0.01503959  -0.01444608 138 VAL   A CG1   
440  C CG2   . VAL   A 26  ? 0.17934702 0.16320971 0.07256132 0.00252652  0.01648343  -0.01580864 138 VAL   A CG2   
441  H H     . VAL   A 26  ? 0.16658139 0.15472382 0.02026401 -0.00211642 0.01459228  -0.01517696 138 VAL   A H     
442  H HA    . VAL   A 26  ? 0.17369841 0.16024612 0.03058507 -0.00036797 0.01016095  -0.01468197 138 VAL   A HA    
443  H HB    . VAL   A 26  ? 0.17550351 0.16240002 0.05027136 0.00180830  0.01383888  -0.01403492 138 VAL   A HB    
444  H HG11  . VAL   A 26  ? 0.17406160 0.16101478 0.05086853 0.00173036  0.01467508  -0.01449728 138 VAL   A HG11  
445  H HG12  . VAL   A 26  ? 0.17436299 0.16104721 0.05091393 0.00168444  0.01436726  -0.01429444 138 VAL   A HG12  
446  H HG13  . VAL   A 26  ? 0.17383002 0.16105853 0.05082686 0.00175072  0.01479847  -0.01437209 138 VAL   A HG13  
447  H HG21  . VAL   A 26  ? 0.17897405 0.16331442 0.06782719 0.00229674  0.01593290  -0.01517226 138 VAL   A HG21  
448  H HG22  . VAL   A 26  ? 0.17882322 0.16364329 0.06751515 0.00184482  0.01632483  -0.01556023 138 VAL   A HG22  
449  H HG23  . VAL   A 26  ? 0.17857215 0.16370668 0.07018088 0.00242230  0.01628153  -0.01429068 138 VAL   A HG23  
450  N N     . LYS   A 27  ? 0.19460385 0.16733158 0.03847474 -0.00570991 -0.00039738 -0.01320290 139 LYS   A N     
451  C CA    . LYS   A 27  ? 0.20910271 0.17565925 0.06568175 -0.01063805 -0.00073839 -0.01135831 139 LYS   A CA    
452  C C     . LYS   A 27  ? 0.21053135 0.17644031 0.07826886 -0.00986592 -0.00764640 -0.01494536 139 LYS   A C     
453  O O     . LYS   A 27  ? 0.21076569 0.17026104 0.07885164 -0.00630627 -0.00716939 -0.01734675 139 LYS   A O     
454  C CB    . LYS   A 27  ? 0.22860321 0.18709402 0.06986280 -0.01024200 0.00428228  -0.00869661 139 LYS   A CB    
455  C CG    . LYS   A 27  ? 0.24445593 0.20630711 0.09377829 -0.00645875 0.01064023  -0.01601459 139 LYS   A CG    
456  C CD    . LYS   A 27  ? 0.26861358 0.22969282 0.11017592 -0.01177440 0.00711839  -0.00365056 139 LYS   A CD    
457  C CE    . LYS   A 27  ? 0.28491071 0.25477725 0.15154624 -0.00399212 0.01083920  -0.00980027 139 LYS   A CE    
458  N NZ    . LYS   A 27  ? 0.30010357 0.27655715 0.17871277 -0.00130933 0.00130064  -0.01069116 139 LYS   A NZ    
459  H H     . LYS   A 27  ? 0.19349106 0.16756321 0.04068835 -0.00638103 -0.00040701 -0.01419017 139 LYS   A H     
460  H HA    . LYS   A 27  ? 0.20942543 0.17622334 0.06408837 -0.00965678 -0.00107175 -0.01160773 139 LYS   A HA    
461  H HB2   . LYS   A 27  ? 0.22687058 0.18705234 0.07280398 -0.00945859 0.00451893  -0.01035181 139 LYS   A HB2   
462  H HB3   . LYS   A 27  ? 0.22662380 0.18692765 0.07305807 -0.00955865 0.00422251  -0.01040358 139 LYS   A HB3   
463  H HG2   . LYS   A 27  ? 0.24524775 0.20562990 0.09118925 -0.00788742 0.00951663  -0.01245162 139 LYS   A HG2   
464  H HG3   . LYS   A 27  ? 0.24430269 0.20577595 0.09037623 -0.00765894 0.00923750  -0.01238524 139 LYS   A HG3   
465  H HD2   . LYS   A 27  ? 0.26587281 0.22816132 0.11223467 -0.00924960 0.00860918  -0.00663034 139 LYS   A HD2   
466  H HD3   . LYS   A 27  ? 0.26581857 0.22847328 0.11223049 -0.00917377 0.00858943  -0.00660499 139 LYS   A HD3   
467  H HE2   . LYS   A 27  ? 0.28341204 0.25377175 0.14703436 -0.00430378 0.00927478  -0.00843196 139 LYS   A HE2   
468  H HE3   . LYS   A 27  ? 0.28381845 0.25345752 0.15009294 -0.00450116 0.00902517  -0.00944930 139 LYS   A HE3   
469  H HZ1   . LYS   A 27  ? 0.29598966 0.27191252 0.17503306 -0.00165651 0.00339061  -0.01221223 139 LYS   A HZ1   
470  H HZ2   . LYS   A 27  ? 0.29674515 0.27400851 0.17240606 -0.00120756 0.00347784  -0.01025661 139 LYS   A HZ2   
471  H HZ3   . LYS   A 27  ? 0.29817596 0.27249232 0.17347705 -0.00270632 0.00219335  -0.00975327 139 LYS   A HZ3   
472  N N     A PRO   A 28  ? 0.21748261 0.18367380 0.09915865 -0.01254371 -0.01709994 -0.02123642 140 PRO   A N     
473  N N     B PRO   A 28  ? 0.22402534 0.18513852 0.09957051 -0.01214478 -0.01914068 -0.02123122 140 PRO   A N     
474  C CA    A PRO   A 28  ? 0.22667585 0.18418299 0.11795295 -0.01105058 -0.01857681 -0.02669208 140 PRO   A CA    
475  C CA    B PRO   A 28  ? 0.23554185 0.18863425 0.12160747 -0.00956497 -0.02252940 -0.02641247 140 PRO   A CA    
476  C C     A PRO   A 28  ? 0.23646018 0.18722756 0.14496514 -0.00977296 -0.02629394 -0.02203221 140 PRO   A C     
477  C C     B PRO   A 28  ? 0.25055879 0.19448005 0.14288005 -0.00711232 -0.03283600 -0.01948586 140 PRO   A C     
478  O O     A PRO   A 28  ? 0.24775270 0.19560304 0.15714818 -0.00364574 -0.02187498 -0.02018358 140 PRO   A O     
479  O O     B PRO   A 28  ? 0.26762900 0.21265827 0.14808598 -0.00070757 -0.03146250 -0.00972366 140 PRO   A O     
480  C CB    A PRO   A 28  ? 0.22744298 0.18698874 0.12212939 -0.01236787 -0.02125284 -0.02770850 140 PRO   A CB    
481  C CB    B PRO   A 28  ? 0.23624137 0.18994018 0.12367547 -0.01090448 -0.02360998 -0.02634918 140 PRO   A CB    
482  C CG    A PRO   A 28  ? 0.22485819 0.19091770 0.12045810 -0.01425004 -0.02049609 -0.02566309 140 PRO   A CG    
483  C CG    B PRO   A 28  ? 0.23538819 0.19269472 0.12188657 -0.01334890 -0.02192795 -0.02316057 140 PRO   A CG    
484  C CD    A PRO   A 28  ? 0.21959580 0.18888718 0.11185487 -0.01329502 -0.01647653 -0.02089171 140 PRO   A CD    
485  C CD    B PRO   A 28  ? 0.22741723 0.19071646 0.11346842 -0.01196219 -0.01847824 -0.01993218 140 PRO   A CD    
486  H HA    A PRO   A 28  ? 0.22663578 0.18531521 0.11906940 -0.01094034 -0.01898503 -0.02539980 140 PRO   A HA    
487  H HA    B PRO   A 28  ? 0.23577707 0.18926662 0.12083005 -0.00933202 -0.02291489 -0.02488943 140 PRO   A HA    
488  H HB2   A PRO   A 28  ? 0.22720033 0.18705347 0.12156708 -0.01240876 -0.02086503 -0.02748395 140 PRO   A HB2   
489  H HB2   B PRO   A 28  ? 0.23637462 0.18977748 0.12325046 -0.01105667 -0.02336664 -0.02580528 140 PRO   A HB2   
490  H HB3   A PRO   A 28  ? 0.22719961 0.18684384 0.12179976 -0.01239831 -0.02088519 -0.02725637 140 PRO   A HB3   
491  H HB3   B PRO   A 28  ? 0.23638122 0.18978114 0.12366653 -0.01105106 -0.02334237 -0.02586921 140 PRO   A HB3   
492  H HG2   A PRO   A 28  ? 0.22485569 0.19087854 0.12068032 -0.01388014 -0.01974099 -0.02537048 140 PRO   A HG2   
493  H HG2   B PRO   A 28  ? 0.23441848 0.19283172 0.12204755 -0.01259175 -0.02155236 -0.02334976 140 PRO   A HG2   
494  H HG3   A PRO   A 28  ? 0.22492838 0.19091108 0.12077657 -0.01377761 -0.01976629 -0.02539366 140 PRO   A HG3   
495  H HG3   B PRO   A 28  ? 0.23447366 0.19294670 0.12215274 -0.01261688 -0.02152454 -0.02347494 140 PRO   A HG3   
496  H HD2   A PRO   A 28  ? 0.21998428 0.18827429 0.11130525 -0.01309713 -0.01683089 -0.02119757 140 PRO   A HD2   
497  H HD2   B PRO   A 28  ? 0.22807361 0.18993443 0.11292900 -0.01208847 -0.01872709 -0.01986299 140 PRO   A HD2   
498  H HD3   A PRO   A 28  ? 0.22030123 0.18852691 0.11130486 -0.01316052 -0.01674499 -0.02066247 140 PRO   A HD3   
499  H HD3   B PRO   A 28  ? 0.22857255 0.19046032 0.11349229 -0.01217898 -0.01887118 -0.01961336 140 PRO   A HD3   
500  N N     A ASN   A 29  ? 0.24253339 0.19207892 0.15411063 -0.00965415 -0.03144219 -0.01844402 141 ASN   A N     
501  N N     B ASN   A 29  ? 0.25572708 0.20057566 0.16064803 -0.00789836 -0.03459491 -0.01730043 141 ASN   A N     
502  C CA    A ASN   A 29  ? 0.25135931 0.19565645 0.15471698 -0.00882242 -0.03825029 -0.02090722 141 ASN   A CA    
503  C CA    B ASN   A 29  ? 0.26191092 0.20397465 0.15741418 -0.00776394 -0.03887969 -0.02097873 141 ASN   A CA    
504  C C     A ASN   A 29  ? 0.24052350 0.18948820 0.13373098 -0.00439424 -0.03328737 -0.01331651 141 ASN   A C     
505  C C     B ASN   A 29  ? 0.24600264 0.19275962 0.13805929 -0.00391439 -0.03338840 -0.01149625 141 ASN   A C     
506  O O     A ASN   A 29  ? 0.24100971 0.19193244 0.13569728 -0.00433305 -0.03266853 -0.01098124 141 ASN   A O     
507  O O     B ASN   A 29  ? 0.24884462 0.19612701 0.13945952 -0.00273787 -0.03156482 -0.00904868 141 ASN   A O     
508  C CB    A ASN   A 29  ? 0.26684073 0.20224142 0.18172134 -0.00957937 -0.04114230 -0.01409806 141 ASN   A CB    
509  C CB    B ASN   A 29  ? 0.27781186 0.21493495 0.18342426 -0.01027345 -0.04009626 -0.01293593 141 ASN   A CB    
510  C CG    A ASN   A 29  ? 0.28962404 0.21307281 0.19891044 -0.00831468 -0.04247710 -0.02432984 141 ASN   A CG    
511  C CG    B ASN   A 29  ? 0.30257970 0.23014612 0.20221823 -0.00532917 -0.03704362 -0.02305552 141 ASN   A CG    
512  O OD1   A ASN   A 29  ? 0.29663974 0.23496984 0.23382404 -0.00871058 -0.04600391 -0.01560035 141 ASN   A OD1   
513  O OD1   B ASN   A 29  ? 0.31780282 0.25765923 0.22352864 -0.00552332 -0.02778128 -0.01756858 141 ASN   A OD1   
514  N ND2   A ASN   A 29  ? 0.30310604 0.23041867 0.21339762 -0.00069790 -0.03708941 -0.02680382 141 ASN   A ND2   
515  N ND2   B ASN   A 29  ? 0.31182295 0.24393883 0.22031498 -0.00478536 -0.03491734 -0.01980252 141 ASN   A ND2   
516  H H     A ASN   A 29  ? 0.24322538 0.19242847 0.15548041 -0.00905148 -0.03105848 -0.01879282 141 ASN   A H     
517  H H     B ASN   A 29  ? 0.25618097 0.20054756 0.15989357 -0.00722047 -0.03474507 -0.01758352 141 ASN   A H     
518  H HA    A ASN   A 29  ? 0.25165695 0.19538882 0.15520141 -0.00826619 -0.03674626 -0.01875786 141 ASN   A HA    
519  H HA    B ASN   A 29  ? 0.26178282 0.20340508 0.15833214 -0.00756564 -0.03724475 -0.01803009 141 ASN   A HA    
520  H HB2   A ASN   A 29  ? 0.26764959 0.20238519 0.17951794 -0.00914750 -0.04136467 -0.01648275 141 ASN   A HB2   
521  H HB2   B ASN   A 29  ? 0.27883089 0.21472971 0.18157452 -0.00866729 -0.03968862 -0.01559312 141 ASN   A HB2   
522  H HB3   A ASN   A 29  ? 0.26741090 0.20234436 0.17936344 -0.00908006 -0.04136359 -0.01643870 141 ASN   A HB3   
523  H HB3   B ASN   A 29  ? 0.27853444 0.21470924 0.18174230 -0.00861680 -0.03979191 -0.01556704 141 ASN   A HB3   
524  H HD21  A ASN   A 29  ? 0.30262586 0.22683892 0.21068257 -0.00101129 -0.03795481 -0.02581825 141 ASN   A HD21  
525  H HD21  B ASN   A 29  ? 0.31136534 0.24180472 0.21739966 -0.00332472 -0.03592224 -0.02068248 141 ASN   A HD21  
526  H HD22  A ASN   A 29  ? 0.30107117 0.22736691 0.21215054 -0.00115455 -0.03799160 -0.02517844 141 ASN   A HD22  
527  H HD22  B ASN   A 29  ? 0.31084701 0.24338031 0.21771681 -0.00327460 -0.03532650 -0.01963202 141 ASN   A HD22  
528  N N     . ALA   A 30  ? 0.22948524 0.18743911 0.11423891 -0.00251426 -0.03202809 -0.01580425 142 ALA   A N     
529  C CA    . ALA   A 30  ? 0.20982563 0.17696130 0.09145396 0.00155844  -0.01374189 -0.01294375 142 ALA   A CA    
530  C C     . ALA   A 30  ? 0.20280787 0.16665366 0.06635563 0.00292036  -0.00522791 -0.01336745 142 ALA   A C     
531  O O     . ALA   A 30  ? 0.20437670 0.17016017 0.07606402 0.00366694  -0.00292487 -0.02112621 142 ALA   A O     
532  C CB    . ALA   A 30  ? 0.20555167 0.17475244 0.08860674 0.00234897  -0.01734796 -0.01444495 142 ALA   A CB    
533  H H     . ALA   A 30  ? 0.22996818 0.18687908 0.11525709 -0.00182461 -0.02942656 -0.01357883 142 ALA   A H     
534  H HA    . ALA   A 30  ? 0.21031083 0.17611745 0.08951585 0.00141918  -0.01484103 -0.01361560 142 ALA   A HA    
535  H HB1   . ALA   A 30  ? 0.20583215 0.17502762 0.08897883 0.00226554  -0.01671730 -0.01415114 142 ALA   A HB1   
536  H HB2   . ALA   A 30  ? 0.20632313 0.17507604 0.08913252 0.00220161  -0.01666371 -0.01417131 142 ALA   A HB2   
537  H HB3   . ALA   A 30  ? 0.20625737 0.17477462 0.08881598 0.00208706  -0.01673556 -0.01443706 142 ALA   A HB3   
538  N N     A ASN   A 31  ? 0.19531992 0.16459154 0.06362312 0.00513007  -0.00248100 -0.01047014 143 ASN   A N     
539  N N     B ASN   A 31  ? 0.19971493 0.16891554 0.06559629 0.00480001  -0.00279206 -0.01347208 143 ASN   A N     
540  C CA    A ASN   A 31  ? 0.19254559 0.16061796 0.05839508 0.00554725  0.00055936  -0.00778284 143 ASN   A CA    
541  C CA    B ASN   A 31  ? 0.19771343 0.16793604 0.06711277 0.00524502  -0.00019971 -0.01270314 143 ASN   A CA    
542  C C     A ASN   A 31  ? 0.18379261 0.15894495 0.05322304 0.00592366  0.00285801  -0.00746635 143 ASN   A C     
543  C C     B ASN   A 31  ? 0.18628728 0.16310313 0.05745697 0.00669770  0.00299626  -0.00968021 143 ASN   A C     
544  O O     A ASN   A 31  ? 0.18197072 0.15716302 0.04540868 0.00513698  0.00620680  -0.00891330 143 ASN   A O     
545  O O     B ASN   A 31  ? 0.18461570 0.16151464 0.05057679 0.00586637  0.00628893  -0.01033371 143 ASN   A O     
546  C CB    A ASN   A 31  ? 0.19896272 0.16208889 0.06426215 0.00855266  0.00202654  -0.00395546 143 ASN   A CB    
547  C CB    B ASN   A 31  ? 0.20879638 0.17486654 0.07573062 0.00798285  0.00191043  -0.00779056 143 ASN   A CB    
548  C CG    A ASN   A 31  ? 0.20355158 0.16549741 0.07296573 0.00903392  -0.00011153 -0.00402446 143 ASN   A CG    
549  C CG    B ASN   A 31  ? 0.22431557 0.18276548 0.09725031 0.00606641  -0.00008322 -0.01345334 143 ASN   A CG    
550  O OD1   A ASN   A 31  ? 0.21107240 0.17749512 0.08448590 0.01406120  0.00314089  -0.00600131 143 ASN   A OD1   
551  O OD1   B ASN   A 31  ? 0.23832342 0.19877963 0.11878196 0.01185196  0.01386057  -0.01654868 143 ASN   A OD1   
552  N ND2   A ASN   A 31  ? 0.20712139 0.16936339 0.07190447 0.01388444  0.00066687  -0.00721474 143 ASN   A ND2   
553  N ND2   B ASN   A 31  ? 0.23184505 0.18880713 0.11096016 0.00608046  0.00277706  -0.00893510 143 ASN   A ND2   
554  H H     A ASN   A 31  ? 0.19582665 0.16434504 0.06320060 0.00483549  -0.00242864 -0.01065078 143 ASN   A H     
555  H H     B ASN   A 31  ? 0.19960777 0.16835065 0.06606666 0.00460363  -0.00279469 -0.01334658 143 ASN   A H     
556  H HA    A ASN   A 31  ? 0.19229592 0.16117692 0.05910119 0.00601040  0.00063305  -0.00763552 143 ASN   A HA    
557  H HA    B ASN   A 31  ? 0.19760159 0.16815419 0.06656323 0.00573442  0.00008162  -0.01167530 143 ASN   A HA    
558  H HB2   A ASN   A 31  ? 0.19849108 0.16248199 0.06474610 0.00832239  0.00156219  -0.00454981 143 ASN   A HB2   
559  H HB2   B ASN   A 31  ? 0.20902923 0.17509381 0.07781675 0.00769681  0.00169913  -0.00930590 143 ASN   A HB2   
560  H HB3   A ASN   A 31  ? 0.19840160 0.16235985 0.06468263 0.00830430  0.00161708  -0.00463061 143 ASN   A HB3   
561  H HB3   B ASN   A 31  ? 0.20884931 0.17474034 0.07752112 0.00747087  0.00144287  -0.00938044 143 ASN   A HB3   
562  H HD21  A ASN   A 31  ? 0.20617516 0.16838999 0.07223731 0.01302819  0.00073895  -0.00657620 143 ASN   A HD21  
563  H HD21  B ASN   A 31  ? 0.23041807 0.18803768 0.10871345 0.00580528  0.00173257  -0.00886419 143 ASN   A HD21  
564  H HD22  A ASN   A 31  ? 0.20652246 0.16849570 0.07239000 0.01297421  0.00077026  -0.00653820 143 ASN   A HD22  
565  H HD22  B ASN   A 31  ? 0.23021877 0.18828407 0.10802543 0.00638349  0.00216824  -0.00929475 143 ASN   A HD22  
566  N N     . ARG   A 32  ? 0.17925358 0.15570197 0.05229123 0.00259298  0.00159907  -0.01028561 144 ARG   A N     
567  C CA    . ARG   A 32  ? 0.17441623 0.15539862 0.05489679 0.00254244  0.00243658  -0.01026360 144 ARG   A CA    
568  C C     . ARG   A 32  ? 0.16141239 0.15426806 0.04401280 0.00125235  0.00329765  -0.01065617 144 ARG   A C     
569  O O     . ARG   A 32  ? 0.16152292 0.15194613 0.05586081 0.00034638  0.00439453  -0.01096808 144 ARG   A O     
570  C CB    . ARG   A 32  ? 0.18502563 0.16353740 0.05581457 0.00188962  0.00250592  -0.00810660 144 ARG   A CB    
571  C CG    . ARG   A 32  ? 0.19524901 0.17180766 0.06188923 0.00059382  0.00716767  -0.00533930 144 ARG   A CG    
572  C CD    . ARG   A 32  ? 0.21187869 0.18233165 0.06306600 0.00023201  0.00536029  -0.00200341 144 ARG   A CD    
573  N NE    . ARG   A 32  ? 0.22214982 0.19539009 0.06895400 -0.00093611 0.00765234  0.00520760  144 ARG   A NE    
574  C CZ    . ARG   A 32  ? 0.24780530 0.21929218 0.07039275 -0.00255295 0.00652627  0.00521129  144 ARG   A CZ    
575  N NH1   . ARG   A 32  ? 0.25728804 0.23907652 0.07202855 -0.00190250 0.00471953  0.01319389  144 ARG   A NH1   
576  N NH2   . ARG   A 32  ? 0.25661793 0.23259848 0.07088329 -0.00330828 0.01141437  0.00671759  144 ARG   A NH2   
577  H H     . ARG   A 32  ? 0.17989255 0.15741861 0.05422016 0.00368014  0.00196318  -0.00986731 144 ARG   A H     
578  H HA    . ARG   A 32  ? 0.17433003 0.15626854 0.05263680 0.00241583  0.00219681  -0.01010167 144 ARG   A HA    
579  H HB2   . ARG   A 32  ? 0.18453805 0.16321789 0.05683259 0.00177989  0.00330870  -0.00804050 144 ARG   A HB2   
580  H HB3   . ARG   A 32  ? 0.18462761 0.16325502 0.05693447 0.00180090  0.00332894  -0.00804334 144 ARG   A HB3   
581  H HG2   . ARG   A 32  ? 0.19565538 0.17171992 0.06076048 0.00093728  0.00590020  -0.00524366 144 ARG   A HG2   
582  H HG3   . ARG   A 32  ? 0.19539179 0.17159635 0.06059822 0.00076040  0.00581694  -0.00534356 144 ARG   A HG3   
583  H HD2   . ARG   A 32  ? 0.21045727 0.18269308 0.06396403 -0.00002553 0.00613326  -0.00134765 144 ARG   A HD2   
584  H HD3   . ARG   A 32  ? 0.21028407 0.18245780 0.06397929 0.00000593  0.00620851  -0.00136639 144 ARG   A HD3   
585  H HE    . ARG   A 32  ? 0.22370493 0.19650671 0.06788755 -0.00087840 0.00692239  0.00394635  144 ARG   A HE    
586  H HH11  . ARG   A 32  ? 0.25485599 0.23365834 0.07234748 -0.00203453 0.00525547  0.01155480  144 ARG   A HH11  
587  H HH12  . ARG   A 32  ? 0.25527135 0.23273946 0.07211915 -0.00208941 0.00459761  0.01142183  144 ARG   A HH12  
588  H HH21  . ARG   A 32  ? 0.25457650 0.22910349 0.07093443 -0.00304040 0.01031810  0.00651359  144 ARG   A HH21  
589  H HH22  . ARG   A 32  ? 0.25518760 0.22859606 0.07116918 -0.00300762 0.01091752  0.00644261  144 ARG   A HH22  
590  N N     . ILE   A 33  ? 0.14966971 0.15222396 0.03314521 0.00218855  0.00120183  -0.01434392 145 ILE   A N     
591  C CA    . ILE   A 33  ? 0.14638974 0.15629357 0.03172495 0.00259965  0.00015662  -0.01406090 145 ILE   A CA    
592  C C     . ILE   A 33  ? 0.14124961 0.15114704 0.02590544 0.00072838  0.00399623  -0.01157976 145 ILE   A C     
593  O O     . ILE   A 33  ? 0.13928090 0.14889775 0.02170608 -0.00021173 0.00499123  -0.01129124 145 ILE   A O     
594  C CB    . ILE   A 33  ? 0.15264677 0.16436034 0.03014351 0.00530921  -0.00179872 -0.01678393 145 ILE   A CB    
595  C CG1   . ILE   A 33  ? 0.15669586 0.17001757 0.03478047 0.00420522  -0.00306495 -0.01985420 145 ILE   A CG1   
596  C CG2   . ILE   A 33  ? 0.15964650 0.16927433 0.03729498 0.00851069  -0.00563563 -0.01610159 145 ILE   A CG2   
597  C CD1   . ILE   A 33  ? 0.15955505 0.17312339 0.03458188 0.00446087  -0.00588034 -0.02136503 145 ILE   A CD1   
598  H H     . ILE   A 33  ? 0.15056726 0.15337306 0.03512996 0.00193967  0.00151643  -0.01347563 145 ILE   A H     
599  H HA    . ILE   A 33  ? 0.14692287 0.15591654 0.03107307 0.00272503  0.00066930  -0.01405102 145 ILE   A HA    
600  H HB    . ILE   A 33  ? 0.15271640 0.16455236 0.03201364 0.00512834  -0.00191737 -0.01668556 145 ILE   A HB    
601  H HG12  . ILE   A 33  ? 0.15652047 0.16951612 0.03403532 0.00442588  -0.00325823 -0.01942610 145 ILE   A HG12  
602  H HG13  . ILE   A 33  ? 0.15650752 0.16960029 0.03415984 0.00427214  -0.00321928 -0.01934611 145 ILE   A HG13  
603  H HG21  . ILE   A 33  ? 0.15826622 0.16814490 0.03671792 0.00794019  -0.00467483 -0.01639313 145 ILE   A HG21  
604  H HG22  . ILE   A 33  ? 0.15899511 0.16805992 0.03625964 0.00809786  -0.00513106 -0.01624769 145 ILE   A HG22  
605  H HG23  . ILE   A 33  ? 0.15829298 0.16819680 0.03616842 0.00817806  -0.00447280 -0.01594683 145 ILE   A HG23  
606  H HD11  . ILE   A 33  ? 0.15929139 0.17244613 0.03478032 0.00447172  -0.00544719 -0.02108573 145 ILE   A HD11  
607  H HD12  . ILE   A 33  ? 0.15896915 0.17243272 0.03473257 0.00442788  -0.00533304 -0.02109681 145 ILE   A HD12  
608  H HD13  . ILE   A 33  ? 0.15903085 0.17260613 0.03474966 0.00435907  -0.00530887 -0.02105422 145 ILE   A HD13  
609  N N     . ALA   A 34  ? 0.13751814 0.15247078 0.03050012 -0.00268500 0.00342981  -0.01684360 146 ALA   A N     
610  C CA    . ALA   A 34  ? 0.13539289 0.15225415 0.02705945 -0.00263280 0.00286233  -0.01587770 146 ALA   A CA    
611  C C     . ALA   A 34  ? 0.13301873 0.15157457 0.02334154 -0.00197106 0.00390132  -0.01588165 146 ALA   A C     
612  O O     . ALA   A 34  ? 0.13510379 0.15578161 0.05264868 0.00033748  0.00505334  -0.01767374 146 ALA   A O     
613  C CB    . ALA   A 34  ? 0.14291061 0.15751392 0.02938727 -0.00196195 -0.00131103 -0.01536691 146 ALA   A CB    
614  H H     . ALA   A 34  ? 0.13762528 0.15225039 0.02919528 -0.00194964 0.00353935  -0.01571463 146 ALA   A H     
615  H HA    . ALA   A 34  ? 0.13589148 0.15266454 0.02693619 -0.00234507 0.00294703  -0.01566383 146 ALA   A HA    
616  H HB1   . ALA   A 34  ? 0.14190683 0.15673630 0.02926667 -0.00218042 -0.00041032 -0.01539796 146 ALA   A HB1   
617  H HB2   . ALA   A 34  ? 0.14220642 0.15653230 0.02957842 -0.00184904 -0.00073056 -0.01556006 146 ALA   A HB2   
618  H HB3   . ALA   A 34  ? 0.14156179 0.15653864 0.02923289 -0.00188820 -0.00029754 -0.01531611 146 ALA   A HB3   
619  N N     A LEU   A 35  ? 0.13275076 0.14965665 0.01824971 -0.00070990 0.00651769  -0.01526531 147 LEU   A N     
620  N N     B LEU   A 35  ? 0.13154519 0.15070429 0.01638956 -0.00069099 0.00756871  -0.01471770 147 LEU   A N     
621  C CA    A LEU   A 35  ? 0.13153498 0.14947511 0.02128134 0.00112799  0.00706768  -0.01250318 147 LEU   A CA    
622  C CA    B LEU   A 35  ? 0.12951040 0.15151136 0.01977272 0.00133039  0.00847216  -0.01209440 147 LEU   A CA    
623  C C     A LEU   A 35  ? 0.13061716 0.14793774 0.02015175 0.00077578  0.00838028  -0.01183276 147 LEU   A C     
624  C C     B LEU   A 35  ? 0.12984526 0.14877437 0.01971647 0.00114356  0.00862133  -0.01158470 147 LEU   A C     
625  O O     A LEU   A 35  ? 0.13115585 0.14921507 0.02416037 -0.00083691 0.00848147  -0.01129918 147 LEU   A O     
626  O O     B LEU   A 35  ? 0.13005315 0.14634897 0.02231879 0.00048566  0.00635865  -0.01132390 147 LEU   A O     
627  C CB    A LEU   A 35  ? 0.13226347 0.14990856 0.02253669 0.00172272  0.00641312  -0.01157527 147 LEU   A CB    
628  C CB    B LEU   A 35  ? 0.12868841 0.15429163 0.02043593 0.00193947  0.00973181  -0.01090739 147 LEU   A CB    
629  C CG    A LEU   A 35  ? 0.13430834 0.15281311 0.02411871 0.00238998  0.00499906  -0.01236700 147 LEU   A CG    
630  C CG    B LEU   A 35  ? 0.12818995 0.16007571 0.02275405 0.00266975  0.01016083  -0.01035492 147 LEU   A CG    
631  C CD1   A LEU   A 35  ? 0.13405669 0.15469556 0.02930839 0.00335472  0.00612295  -0.00984225 147 LEU   A CD1   
632  C CD1   B LEU   A 35  ? 0.12981230 0.16217691 0.02485376 0.00273773  0.01147429  -0.01159146 147 LEU   A CD1   
633  C CD2   A LEU   A 35  ? 0.13460535 0.15235448 0.02496677 0.00289921  0.00379989  -0.01141786 147 LEU   A CD2   
634  C CD2   B LEU   A 35  ? 0.12979059 0.16143565 0.02542223 0.00368621  0.01129466  -0.00900513 147 LEU   A CD2   
635  H H     A LEU   A 35  ? 0.13230407 0.14996180 0.01983103 -0.00062948 0.00627080  -0.01494529 147 LEU   A H     
636  H H     B LEU   A 35  ? 0.13119297 0.15096106 0.01834653 -0.00056435 0.00717506  -0.01449914 147 LEU   A H     
637  H HA    A LEU   A 35  ? 0.13159016 0.14940605 0.02122285 0.00088905  0.00712318  -0.01282007 147 LEU   A HA    
638  H HA    B LEU   A 35  ? 0.12966783 0.15139459 0.01980700 0.00109537  0.00854934  -0.01239203 147 LEU   A HA    
639  H HB2   A LEU   A 35  ? 0.13233136 0.15016657 0.02256380 0.00175724  0.00623861  -0.01181494 147 LEU   A HB2   
640  H HB2   B LEU   A 35  ? 0.12863167 0.15450633 0.02074407 0.00203884  0.00959395  -0.01098401 147 LEU   A HB2   
641  H HB3   A LEU   A 35  ? 0.13256384 0.15020050 0.02271818 0.00181650  0.00623549  -0.01189804 147 LEU   A HB3   
642  H HB3   B LEU   A 35  ? 0.12871154 0.15445669 0.02084872 0.00198993  0.00957139  -0.01100406 147 LEU   A HB3   
643  H HG    A LEU   A 35  ? 0.13408706 0.15254486 0.02474109 0.00248451  0.00523828  -0.01182702 147 LEU   A HG    
644  H HG    B LEU   A 35  ? 0.12858084 0.15974441 0.02304903 0.00276813  0.01044908  -0.01040334 147 LEU   A HG    
645  H HD11  A LEU   A 35  ? 0.13407880 0.15432662 0.02845259 0.00317712  0.00596331  -0.01023586 147 LEU   A HD11  
646  H HD11  B LEU   A 35  ? 0.12955849 0.16170658 0.02490868 0.00272399  0.01116205  -0.01154381 147 LEU   A HD11  
647  H HD12  A LEU   A 35  ? 0.13430847 0.15442057 0.02908054 0.00322625  0.00620601  -0.01007741 147 LEU   A HD12  
648  H HD12  B LEU   A 35  ? 0.12966375 0.16168116 0.02481374 0.00271512  0.01136769  -0.01141693 147 LEU   A HD12  
649  H HD13  A LEU   A 35  ? 0.13413836 0.15445977 0.02847018 0.00312234  0.00594027  -0.01018357 147 LEU   A HD13  
650  H HD13  B LEU   A 35  ? 0.12951872 0.16168350 0.02470060 0.00271767  0.01122573  -0.01140912 147 LEU   A HD13  
651  H HD21  A LEU   A 35  ? 0.13448849 0.15231408 0.02494125 0.00278234  0.00401314  -0.01159249 147 LEU   A HD21  
652  H HD21  B LEU   A 35  ? 0.12950227 0.16129872 0.02502595 0.00353070  0.01112111  -0.00918060 147 LEU   A HD21  
653  H HD22  A LEU   A 35  ? 0.13460399 0.15243790 0.02517273 0.00275491  0.00400019  -0.01165109 147 LEU   A HD22  
654  H HD22  B LEU   A 35  ? 0.12956284 0.16111141 0.02502062 0.00349323  0.01107210  -0.00925725 147 LEU   A HD22  
655  H HD23  A LEU   A 35  ? 0.13447233 0.15234900 0.02503412 0.00278017  0.00395296  -0.01163800 147 LEU   A HD23  
656  H HD23  B LEU   A 35  ? 0.12966561 0.16110577 0.02511232 0.00351276  0.01125845  -0.00926840 147 LEU   A HD23  
657  N N     . ASP   A 36  ? 0.13007124 0.14933091 0.02061766 0.00140974  0.00948269  -0.01154239 148 ASP   A N     
658  C CA    . ASP   A 36  ? 0.13633865 0.15006341 0.02434035 0.00202016  0.00560919  -0.01309128 148 ASP   A CA    
659  C C     . ASP   A 36  ? 0.13292348 0.14944580 0.00743233 0.00443305  0.00308911  -0.01199315 148 ASP   A C     
660  O O     . ASP   A 36  ? 0.13366944 0.15082879 0.00933344 0.00783930  0.00363873  -0.01483161 148 ASP   A O     
661  C CB    . ASP   A 36  ? 0.14632083 0.15292707 0.02980915 0.00060260  0.00752543  -0.01237831 148 ASP   A CB    
662  C CG    . ASP   A 36  ? 0.15859333 0.15813912 0.05702978 0.00345755  0.00723772  -0.01024448 148 ASP   A CG    
663  O OD1   . ASP   A 36  ? 0.16091508 0.15755130 0.07986061 0.00562763  0.00845486  -0.01030217 148 ASP   A OD1   
664  O OD2   . ASP   A 36  ? 0.18519872 0.17044480 0.10631067 -0.00484703 -0.00014719 -0.01097007 148 ASP   A OD2   
665  H H     . ASP   A 36  ? 0.13056149 0.14927438 0.02105955 0.00137190  0.00860636  -0.01185712 148 ASP   A H     
666  H HA    . ASP   A 36  ? 0.13618599 0.14998414 0.02165638 0.00212087  0.00618183  -0.01236382 148 ASP   A HA    
667  H HB2   . ASP   A 36  ? 0.14613038 0.15318874 0.03270143 0.00138643  0.00706457  -0.01237679 148 ASP   A HB2   
668  H HB3   . ASP   A 36  ? 0.14593838 0.15279059 0.03150602 0.00121968  0.00673136  -0.01295437 148 ASP   A HB3   
669  N N     . PHE   A 37  ? 0.13367465 0.15242952 0.00699253 0.00575333  0.00439234  -0.00841270 149 PHE   A N     
670  C CA    . PHE   A 37  ? 0.13726689 0.15246128 0.00663963 0.00715264  0.00481395  -0.00409078 149 PHE   A CA    
671  C C     . PHE   A 37  ? 0.13902229 0.14898673 0.00654836 0.00436355  0.00198830  -0.00508297 149 PHE   A C     
672  O O     . PHE   A 37  ? 0.13644002 0.15902054 0.00671644 0.00392037  0.00286445  -0.00690973 149 PHE   A O     
673  C CB    . PHE   A 37  ? 0.14590371 0.15970209 0.00725978 0.01001307  0.01136098  0.00020582  149 PHE   A CB    
674  C CG    . PHE   A 37  ? 0.15385032 0.17676130 0.00730972 0.01512643  0.01151841  0.00480514  149 PHE   A CG    
675  C CD1   . PHE   A 37  ? 0.15831302 0.18426013 0.00769746 0.01642793  0.01403601  0.00499337  149 PHE   A CD1   
676  C CD2   . PHE   A 37  ? 0.15821072 0.18467142 0.01222586 0.01999199  0.01804805  0.01324576  149 PHE   A CD2   
677  C CE1   . PHE   A 37  ? 0.16319460 0.19562826 0.00810521 0.01983835  0.01526441  0.00925527  149 PHE   A CE1   
678  C CE2   . PHE   A 37  ? 0.16526207 0.19554821 0.01588658 0.02463384  0.01336456  0.01577001  149 PHE   A CE2   
679  C CZ    . PHE   A 37  ? 0.16494951 0.20114407 0.00874313 0.02201466  0.01553625  0.01521135  149 PHE   A CZ    
680  H H     . PHE   A 37  ? 0.13355413 0.15183000 0.00702739 0.00593221  0.00477970  -0.00842722 149 PHE   A H     
681  H HA    . PHE   A 37  ? 0.13749357 0.15277711 0.00669480 0.00693936  0.00513590  -0.00457958 149 PHE   A HA    
682  H HB2   . PHE   A 37  ? 0.14535342 0.16037360 0.00704582 0.01020719  0.00994104  0.00012522  149 PHE   A HB2   
683  H HB3   . PHE   A 37  ? 0.14523070 0.16025247 0.00705245 0.01033166  0.00998084  0.00010214  149 PHE   A HB3   
684  H HD1   . PHE   A 37  ? 0.15828001 0.18469769 0.00768332 0.01662152  0.01377214  0.00575989  149 PHE   A HD1   
685  H HD2   . PHE   A 37  ? 0.15826328 0.18485095 0.01112016 0.01963449  0.01585309  0.01236555  149 PHE   A HD2   
686  H HE1   . PHE   A 37  ? 0.16241850 0.19385868 0.00811329 0.01971703  0.01518606  0.00940874  149 PHE   A HE1   
687  H HE2   . PHE   A 37  ? 0.16365960 0.19401595 0.01320107 0.02349285  0.01472827  0.01510136  149 PHE   A HE2   
688  H HZ    . PHE   A 37  ? 0.16431123 0.19876745 0.00854606 0.02202442  0.01512340  0.01414993  149 PHE   A HZ    
689  N N     . GLN   A 38  ? 0.14327462 0.15017837 0.00672563 0.00481980  0.00138271  -0.00733150 150 GLN   A N     
690  C CA    . GLN   A 38  ? 0.15693603 0.15402657 0.00676543 0.00425262  -0.00091155 -0.00796699 150 GLN   A CA    
691  C C     . GLN   A 38  ? 0.14960575 0.14890149 0.00649877 0.00291385  -0.00311979 -0.00380562 150 GLN   A C     
692  O O     . GLN   A 38  ? 0.15802179 0.15314709 0.00662333 0.00592364  -0.00520276 -0.00426047 150 GLN   A O     
693  C CB    . GLN   A 38  ? 0.17928898 0.16479577 0.02620747 -0.00119357 0.00749284  -0.00703626 150 GLN   A CB    
694  C CG    . GLN   A 38  ? 0.21199781 0.17670308 0.05416156 -0.00089488 0.00807470  -0.01924423 150 GLN   A CG    
695  C CD    . GLN   A 38  ? 0.24131569 0.18905531 0.08232914 -0.00103280 0.00937936  -0.01105645 150 GLN   A CD    
696  O OE1   . GLN   A 38  ? 0.29296607 0.20720914 0.13178481 -0.00874521 0.01397986  -0.03527898 150 GLN   A OE1   
697  N NE2   . GLN   A 38  ? 0.26799974 0.20824467 0.08942248 0.00092041  -0.00011697 -0.01418431 150 GLN   A NE2   
698  H H     . GLN   A 38  ? 0.14419146 0.15065932 0.00667016 0.00480044  0.00093574  -0.00687759 150 GLN   A H     
699  H HA    . GLN   A 38  ? 0.15558800 0.15375860 0.00668451 0.00351365  0.00029327  -0.00718822 150 GLN   A HA    
700  H HB2   . GLN   A 38  ? 0.17895290 0.16389266 0.02466582 0.00003669  0.00626505  -0.00880271 150 GLN   A HB2   
701  H HB3   . GLN   A 38  ? 0.17875703 0.16405568 0.02665901 0.00027903  0.00633972  -0.00862960 150 GLN   A HB3   
702  H HG2   . GLN   A 38  ? 0.20939867 0.17532976 0.05116700 -0.00095308 0.00775729  -0.01472125 150 GLN   A HG2   
703  H HG3   . GLN   A 38  ? 0.20930277 0.17562981 0.05203400 -0.00078865 0.00874088  -0.01482481 150 GLN   A HG3   
704  H HE21  . GLN   A 38  ? 0.25926009 0.20468979 0.08652402 0.00225095  0.00290685  -0.01270458 150 GLN   A HE21  
705  H HE22  . GLN   A 38  ? 0.26120412 0.20510620 0.08956477 0.00176514  0.00196155  -0.01473474 150 GLN   A HE22  
706  N N     . ARG   A 39  ? 0.14970301 0.14956856 0.00670293 0.00472021  -0.00181895 -0.00710891 151 ARG   A N     
707  C CA    . ARG   A 39  ? 0.15289256 0.14831044 0.00671129 0.00355957  0.00045099  -0.00730612 151 ARG   A CA    
708  C C     . ARG   A 39  ? 0.14710034 0.14833346 0.00661909 0.00262459  0.00042421  -0.00635523 151 ARG   A C     
709  O O     . ARG   A 39  ? 0.14512533 0.14572193 0.00645842 0.00020179  0.00304667  -0.00286254 151 ARG   A O     
710  C CB    . ARG   A 39  ? 0.15574691 0.15335920 0.00663829 0.00221495  0.00287570  -0.00602383 151 ARG   A CB    
711  C CG    . ARG   A 39  ? 0.16564265 0.15584096 0.00797369 -0.00052982 0.00318609  -0.00967772 151 ARG   A CG    
712  C CD    . ARG   A 39  ? 0.17330331 0.16280715 0.01577032 -0.00433840 0.00764856  -0.01152564 151 ARG   A CD    
713  N NE    . ARG   A 39  ? 0.18176377 0.16589323 0.02330270 -0.00598741 0.00645991  -0.01681438 151 ARG   A NE    
714  C CZ    . ARG   A 39  ? 0.18643242 0.17259577 0.02030746 -0.00693163 0.00811465  -0.01441239 151 ARG   A CZ    
715  N NH1   . ARG   A 39  ? 0.19483310 0.17657366 0.03161727 -0.00500813 0.01069041  -0.01434786 151 ARG   A NH1   
716  N NH2   . ARG   A 39  ? 0.19122495 0.17577511 0.02515743 -0.00415693 0.00453545  -0.01919627 151 ARG   A NH2   
717  H H     . ARG   A 39  ? 0.15013446 0.14924569 0.00663969 0.00443340  -0.00167802 -0.00645899 151 ARG   A H     
718  H HA    . ARG   A 39  ? 0.15184796 0.14914846 0.00667063 0.00337555  0.00037977  -0.00692741 151 ARG   A HA    
719  H HB2   . ARG   A 39  ? 0.15668966 0.15235309 0.00663471 0.00195675  0.00261147  -0.00608880 151 ARG   A HB2   
720  H HB3   . ARG   A 39  ? 0.15656666 0.15253748 0.00668149 0.00207700  0.00248602  -0.00667302 151 ARG   A HB3   
721  H HG2   . ARG   A 39  ? 0.16470554 0.15634602 0.00827645 -0.00059426 0.00388838  -0.00920554 151 ARG   A HG2   
722  H HG3   . ARG   A 39  ? 0.16489455 0.15641847 0.00787894 -0.00063744 0.00390829  -0.00919643 151 ARG   A HG3   
723  H HD2   . ARG   A 39  ? 0.17337903 0.16194630 0.01555058 -0.00396518 0.00669103  -0.01209785 151 ARG   A HD2   
724  H HD3   . ARG   A 39  ? 0.17386156 0.16226535 0.01583774 -0.00404717 0.00680887  -0.01214599 151 ARG   A HD3   
725  H HE    . ARG   A 39  ? 0.18098280 0.16659684 0.02148473 -0.00582062 0.00680335  -0.01529448 151 ARG   A HE    
726  H HH11  . ARG   A 39  ? 0.19338715 0.17553708 0.03029259 -0.00546134 0.01107629  -0.01424961 151 ARG   A HH11  
727  H HH12  . ARG   A 39  ? 0.19239332 0.17587493 0.02969078 -0.00543504 0.01009264  -0.01345592 151 ARG   A HH12  
728  H HH21  . ARG   A 39  ? 0.19005907 0.17490849 0.02436323 -0.00478623 0.00554090  -0.01791481 151 ARG   A HH21  
729  H HH22  . ARG   A 39  ? 0.18995364 0.17489859 0.02409640 -0.00488672 0.00544255  -0.01791720 151 ARG   A HH22  
730  N N     . GLY   A 40  ? 0.14742368 0.15446578 0.00633402 0.00209458  0.00044839  0.00006089  152 GLY   A N     
731  C CA    . GLY   A 40  ? 0.14933765 0.15866317 0.00633976 0.00025853  0.00083874  0.00058882  152 GLY   A CA    
732  C C     . GLY   A 40  ? 0.15041970 0.16063610 0.00645133 0.00119197  0.00376796  0.00179763  152 GLY   A C     
733  O O     . GLY   A 40  ? 0.15849851 0.16739643 0.00643522 -0.00005613 -0.00039649 -0.00404531 152 GLY   A O     
734  H H     . GLY   A 40  ? 0.14742161 0.15372004 0.00634142 0.00217382  0.00039058  -0.00106357 152 GLY   A H     
735  H HA2   . GLY   A 40  ? 0.14918768 0.15798840 0.00634482 0.00065408  0.00118299  0.00061489  152 GLY   A HA2   
736  H HA3   . GLY   A 40  ? 0.14890350 0.15788504 0.00634033 0.00051392  0.00095952  0.00044653  152 GLY   A HA3   
737  N N     . ASN   A 41  ? 0.15173243 0.15712392 0.00685399 -0.00238918 0.00535232  0.00690508  153 ASN   A N     
738  C CA    . ASN   A 41  ? 0.15911585 0.15977514 0.00694702 -0.00249159 0.00882562  0.00386239  153 ASN   A CA    
739  C C     . ASN   A 41  ? 0.15656625 0.15756905 0.00649439 0.00172452  0.00492584  -0.00015934 153 ASN   A C     
740  O O     . ASN   A 41  ? 0.17319123 0.15607731 0.00910384 -0.00117109 0.00706909  -0.00330359 153 ASN   A O     
741  C CB    . ASN   A 41  ? 0.16653371 0.16415612 0.00748989 -0.00587931 0.01092824  0.00765555  153 ASN   A CB    
742  C CG    . ASN   A 41  ? 0.17608370 0.16560550 0.01031843 -0.00889116 0.01448365  0.00806393  153 ASN   A CG    
743  O OD1   . ASN   A 41  ? 0.18776375 0.16982520 0.02884789 -0.01740345 0.01350378  0.00983316  153 ASN   A OD1   
744  N ND2   . ASN   A 41  ? 0.17824058 0.16680519 0.01830638 -0.00845345 0.01429790  0.00820115  153 ASN   A ND2   
745  H H     . ASN   A 41  ? 0.15267220 0.15825438 0.00675224 -0.00177522 0.00566026  0.00545321  153 ASN   A H     
746  H HA    . ASN   A 41  ? 0.15866414 0.15955012 0.00688035 -0.00212386 0.00796675  0.00437065  153 ASN   A HA    
747  H HB2   . ASN   A 41  ? 0.16656744 0.16354421 0.00749202 -0.00576466 0.01137448  0.00702501  153 ASN   A HB2   
748  H HB3   . ASN   A 41  ? 0.16679056 0.16364166 0.00747502 -0.00583138 0.01128170  0.00699699  153 ASN   A HB3   
749  H HD21  . ASN   A 41  ? 0.17756872 0.16672941 0.01588179 -0.00828090 0.01440382  0.00838343  153 ASN   A HD21  
750  H HD22  . ASN   A 41  ? 0.17766991 0.16671872 0.01606751 -0.00848063 0.01438258  0.00834379  153 ASN   A HD22  
751  N N     . ASP   A 42  ? 0.14666265 0.15559869 0.00653740 0.00428759  0.00378242  -0.00380139 154 ASP   A N     
752  C CA    . ASP   A 42  ? 0.14371182 0.15370350 0.00647821 0.00609296  0.00432751  -0.00097889 154 ASP   A CA    
753  C C     . ASP   A 42  ? 0.14224806 0.15251103 0.00639643 0.00751639  0.00193045  -0.00219778 154 ASP   A C     
754  O O     . ASP   A 42  ? 0.14648119 0.15945964 0.00636629 0.01136341  -0.00013571 -0.00227196 154 ASP   A O     
755  C CB    . ASP   A 42  ? 0.14562917 0.15640032 0.00661037 0.00442136  0.00597849  -0.00159313 154 ASP   A CB    
756  C CG    . ASP   A 42  ? 0.14857811 0.16202936 0.00988956 0.00301381  0.00279084  -0.00078601 154 ASP   A CG    
757  O OD1   . ASP   A 42  ? 0.14748099 0.16588403 0.00662927 -0.00027055 0.00621241  -0.00193843 154 ASP   A OD1   
758  O OD2   . ASP   A 42  ? 0.15237235 0.16656835 0.01773510 0.00110846  -0.00087797 -0.00069832 154 ASP   A OD2   
759  H H     . ASP   A 42  ? 0.14793538 0.15496516 0.00651268 0.00421157  0.00421407  -0.00272472 154 ASP   A H     
760  H HA    . ASP   A 42  ? 0.14449838 0.15405354 0.00646928 0.00602024  0.00401943  -0.00153256 154 ASP   A HA    
761  H HB2   . ASP   A 42  ? 0.14558232 0.15657820 0.00653996 0.00450936  0.00515985  -0.00139157 154 ASP   A HB2   
762  H HB3   . ASP   A 42  ? 0.14528084 0.15667795 0.00656481 0.00449171  0.00549012  -0.00133875 154 ASP   A HB3   
763  N N     . VAL   A 43  ? 0.14160292 0.15118597 0.00640308 0.00777488  0.00075424  -0.00305078 155 VAL   A N     
764  C CA    . VAL   A 43  ? 0.14559191 0.15300182 0.00659397 0.00428336  0.00159344  -0.00592026 155 VAL   A CA    
765  C C     . VAL   A 43  ? 0.14094156 0.15004720 0.00676778 0.00438806  0.00022015  -0.00789422 155 VAL   A C     
766  O O     . VAL   A 43  ? 0.14184211 0.15948829 0.00653864 0.00456469  0.00266182  -0.00476099 155 VAL   A O     
767  C CB    . VAL   A 43  ? 0.15400854 0.15518206 0.00717681 0.00192612  0.00492502  -0.00999552 155 VAL   A CB    
768  C CG1   . VAL   A 43  ? 0.15642610 0.15462878 0.00778570 0.00150649  0.00557455  -0.01353710 155 VAL   A CG1   
769  C CG2   . VAL   A 43  ? 0.15468860 0.15800163 0.01649557 0.00113279  0.00399120  -0.00788879 155 VAL   A CG2   
770  H H     . VAL   A 43  ? 0.14187220 0.15165928 0.00641194 0.00745441  0.00096237  -0.00318926 155 VAL   A H     
771  H HA    . VAL   A 43  ? 0.14539452 0.15249009 0.00663025 0.00453570  0.00176259  -0.00628292 155 VAL   A HA    
772  H HB    . VAL   A 43  ? 0.15349975 0.15523525 0.00710202 0.00204212  0.00450435  -0.00963421 155 VAL   A HB    
773  H HG11  . VAL   A 43  ? 0.15605795 0.15460131 0.00764583 0.00151238  0.00543086  -0.01280946 155 VAL   A HG11  
774  H HG12  . VAL   A 43  ? 0.15588304 0.15457128 0.00763968 0.00168511  0.00529292  -0.01282342 155 VAL   A HG12  
775  H HG13  . VAL   A 43  ? 0.15578236 0.15434662 0.00764374 0.00160688  0.00539744  -0.01279498 155 VAL   A HG13  
776  H HG21  . VAL   A 43  ? 0.15443049 0.15770005 0.01460958 0.00133623  0.00433921  -0.00809925 155 VAL   A HG21  
777  H HG22  . VAL   A 43  ? 0.15444246 0.15730266 0.01611159 0.00136959  0.00458325  -0.00820721 155 VAL   A HG22  
778  H HG23  . VAL   A 43  ? 0.15454568 0.15734804 0.01456022 0.00129194  0.00435287  -0.00824635 155 VAL   A HG23  
779  N N     . ALA   A 44  ? 0.13553713 0.14697145 0.00716212 0.00418650  0.00194601  -0.01054052 156 ALA   A N     
780  C CA    . ALA   A 44  ? 0.13492636 0.14657260 0.01334086 -0.00010986 0.00064165  -0.00950485 156 ALA   A CA    
781  C C     . ALA   A 44  ? 0.13318615 0.14440379 0.01023595 -0.00134753 0.00037596  -0.00649725 156 ALA   A C     
782  O O     . ALA   A 44  ? 0.13054420 0.14111219 0.01503855 -0.00120695 -0.00098989 -0.00673557 156 ALA   A O     
783  C CB    . ALA   A 44  ? 0.13692056 0.14523600 0.01648406 0.00114514  0.00320715  -0.00936032 156 ALA   A CB    
784  H H     . ALA   A 44  ? 0.13588272 0.14741451 0.00704908 0.00378235  0.00151733  -0.00988051 156 ALA   A H     
785  H HA    . ALA   A 44  ? 0.13512945 0.14636590 0.01162715 0.00051660  0.00103441  -0.00933685 156 ALA   A HA    
786  H HB1   . ALA   A 44  ? 0.13649149 0.14541897 0.01618671 0.00089660  0.00278945  -0.00938871 156 ALA   A HB1   
787  H HB2   . ALA   A 44  ? 0.13678685 0.14546859 0.01607810 0.00095804  0.00296747  -0.00931028 156 ALA   A HB2   
788  H HB3   . ALA   A 44  ? 0.13651715 0.14546679 0.01596824 0.00091055  0.00274551  -0.00937613 156 ALA   A HB3   
789  N N     . PHE   A 45  ? 0.12928504 0.14476065 0.00660514 -0.00190216 0.00383346  -0.00466166 157 PHE   A N     
790  C CA    . PHE   A 45  ? 0.13172109 0.14525707 0.00644863 0.00052611  0.00273253  -0.00279039 157 PHE   A CA    
791  C C     . PHE   A 45  ? 0.13136159 0.14354992 0.00646806 0.00090295  0.00393465  -0.00123653 157 PHE   A C     
792  O O     . PHE   A 45  ? 0.13122910 0.14569797 0.00667300 0.00243801  0.00405626  -0.00531290 157 PHE   A O     
793  C CB    . PHE   A 45  ? 0.13514808 0.14407310 0.00744932 0.00114895  0.00207928  -0.00106434 157 PHE   A CB    
794  C CG    . PHE   A 45  ? 0.13567519 0.14412840 0.00636140 0.00162910  0.00175708  0.00084860  157 PHE   A CG    
795  C CD1   . PHE   A 45  ? 0.13560455 0.14797433 0.00634246 0.00411319  -0.00099155 0.00053603  157 PHE   A CD1   
796  C CD2   . PHE   A 45  ? 0.13745295 0.14611745 0.00949699 0.00401995  0.00014241  0.00285570  157 PHE   A CD2   
797  C CE1   . PHE   A 45  ? 0.13708352 0.15221611 0.00642424 0.00676054  0.00268953  -0.00216059 157 PHE   A CE1   
798  C CE2   . PHE   A 45  ? 0.13769449 0.15247804 0.00889104 0.00497374  -0.00073207 0.00221120  157 PHE   A CE2   
799  C CZ    . PHE   A 45  ? 0.13991484 0.15006849 0.00786524 0.00497035  0.00024267  -0.00077665 157 PHE   A CZ    
800  H H     . PHE   A 45  ? 0.12955843 0.14480573 0.00658294 -0.00141268 0.00338280  -0.00470858 157 PHE   A H     
801  H HA    . PHE   A 45  ? 0.13167410 0.14472203 0.00644885 0.00036852  0.00289169  -0.00261034 157 PHE   A HA    
802  H HB2   . PHE   A 45  ? 0.13484985 0.14427052 0.00640207 0.00109493  0.00216795  -0.00106700 157 PHE   A HB2   
803  H HB3   . PHE   A 45  ? 0.13486783 0.14434420 0.00637796 0.00116340  0.00219673  -0.00102059 157 PHE   A HB3   
804  H HD1   . PHE   A 45  ? 0.13522105 0.14788184 0.00633611 0.00435754  -0.00056367 0.00037004  157 PHE   A HD1   
805  H HD2   . PHE   A 45  ? 0.13716088 0.14666627 0.00862123 0.00379804  0.00043178  0.00229321  157 PHE   A HD2   
806  H HE1   . PHE   A 45  ? 0.13706212 0.15092629 0.00636759 0.00627080  0.00159108  -0.00142617 157 PHE   A HE1   
807  H HE2   . PHE   A 45  ? 0.13776572 0.15092252 0.00860153 0.00491012  -0.00053142 0.00183313  157 PHE   A HE2   
808  H HZ    . PHE   A 45  ? 0.13899048 0.15049520 0.00797327 0.00525619  0.00059741  -0.00074230 157 PHE   A HZ    
809  N N     . HIS   A 46  ? 0.13113558 0.14336759 0.00656364 0.00127315  0.00351956  -0.00421394 158 HIS   A N     
810  C CA    . HIS   A 46  ? 0.13045332 0.14289540 0.00667420 0.00151072  0.00458461  -0.00479438 158 HIS   A CA    
811  C C     . HIS   A 46  ? 0.12739663 0.14255436 0.00688612 0.00298991  0.00423875  -0.00732222 158 HIS   A C     
812  O O     . HIS   A 46  ? 0.12486205 0.14876278 0.00749184 0.00325464  0.00236400  -0.01251678 158 HIS   A O     
813  C CB    . HIS   A 46  ? 0.13461171 0.14270708 0.00648646 0.00140076  0.00175706  -0.00418811 158 HIS   A CB    
814  C CG    . HIS   A 46  ? 0.14302029 0.14295217 0.00826963 0.00115513  -0.00044596 -0.00454911 158 HIS   A CG    
815  N ND1   . HIS   A 46  ? 0.14617133 0.14278600 0.00782779 0.00052116  0.00050409  -0.00473678 158 HIS   A ND1   
816  C CD2   . HIS   A 46  ? 0.14665042 0.14494435 0.00902538 0.00134987  0.00156577  -0.00694569 158 HIS   A CD2   
817  C CE1   . HIS   A 46  ? 0.14902310 0.14351912 0.00941657 -0.00120130 -0.00006164 -0.00659285 158 HIS   A CE1   
818  N NE2   . HIS   A 46  ? 0.15236187 0.14302595 0.01577696 0.00111256  0.00040264  -0.00974081 158 HIS   A NE2   
819  H H     . HIS   A 46  ? 0.13102724 0.14323698 0.00654771 0.00127898  0.00370505  -0.00375408 158 HIS   A H     
820  H HA    . HIS   A 46  ? 0.13048162 0.14295730 0.00665494 0.00164048  0.00408732  -0.00501093 158 HIS   A HA    
821  H HB2   . HIS   A 46  ? 0.13531645 0.14279151 0.00651212 0.00140191  0.00194114  -0.00450794 158 HIS   A HB2   
822  H HB3   . HIS   A 46  ? 0.13499470 0.14280373 0.00650804 0.00139001  0.00194046  -0.00444556 158 HIS   A HB3   
823  H HD1   . HIS   A 46  ? 0.10013065 0.10013065 0.10013065 0.00000000  0.00000000  0.00000000  158 HIS   A HD1   
824  H HD2   . HIS   A 46  ? 0.14656723 0.14426771 0.01011928 0.00126956  0.00111710  -0.00696566 158 HIS   A HD2   
825  H HE1   . HIS   A 46  ? 0.14940761 0.14337088 0.01107583 -0.00068608 0.00021304  -0.00676171 158 HIS   A HE1   
826  H HE2   . HIS   A 46  ? 0.10846432 0.10846432 0.10846432 0.00000000  0.00000000  0.00000000  158 HIS   A HE2   
827  N N     . PHE   A 47  ? 0.13118793 0.14407887 0.00690134 0.00207919  0.00377939  -0.00784721 159 PHE   A N     
828  C CA    . PHE   A 47  ? 0.13456382 0.14623992 0.00704704 0.00334352  0.00461314  -0.00863715 159 PHE   A CA    
829  C C     . PHE   A 47  ? 0.13889679 0.14450365 0.00714988 0.00533898  0.00607842  -0.00837507 159 PHE   A C     
830  O O     . PHE   A 47  ? 0.14014494 0.14467797 0.00724414 0.00716998  0.00758413  -0.00774584 159 PHE   A O     
831  C CB    . PHE   A 47  ? 0.13504043 0.14603417 0.00679193 0.00241949  0.00305156  -0.00729433 159 PHE   A CB    
832  C CG    . PHE   A 47  ? 0.13904400 0.14951666 0.00681455 0.00194879  0.00111044  -0.00820973 159 PHE   A CG    
833  C CD1   . PHE   A 47  ? 0.13784537 0.15082744 0.00656089 0.00156951  -0.00035422 -0.00573551 159 PHE   A CD1   
834  C CD2   . PHE   A 47  ? 0.14197388 0.15339036 0.01420306 0.00117299  -0.00068845 -0.00868134 159 PHE   A CD2   
835  C CE1   . PHE   A 47  ? 0.14413325 0.15471657 0.00648932 0.00225762  -0.00013746 -0.00482221 159 PHE   A CE1   
836  C CE2   . PHE   A 47  ? 0.14422895 0.15245342 0.01272810 -0.00027814 -0.00210604 -0.00568976 159 PHE   A CE2   
837  C CZ    . PHE   A 47  ? 0.14621568 0.15448503 0.00658507 0.00228668  -0.00236551 -0.00564877 159 PHE   A CZ    
838  H H     . PHE   A 47  ? 0.13105762 0.14411448 0.00691330 0.00242291  0.00397698  -0.00782971 159 PHE   A H     
839  H HA    . PHE   A 47  ? 0.13453139 0.14555925 0.00699733 0.00335101  0.00451858  -0.00826843 159 PHE   A HA    
840  H HB2   . PHE   A 47  ? 0.13551974 0.14648673 0.00683862 0.00235277  0.00305579  -0.00774020 159 PHE   A HB2   
841  H HB3   . PHE   A 47  ? 0.13540488 0.14668196 0.00684721 0.00243068  0.00314176  -0.00778147 159 PHE   A HB3   
842  H HD1   . PHE   A 47  ? 0.13875049 0.15109621 0.00659393 0.00158316  -0.00023669 -0.00614846 159 PHE   A HD1   
843  H HD2   . PHE   A 47  ? 0.14220537 0.15249595 0.01244816 0.00125723  -0.00089661 -0.00820132 159 PHE   A HD2   
844  H HE1   . PHE   A 47  ? 0.14338402 0.15419269 0.00650898 0.00209265  -0.00036955 -0.00509781 159 PHE   A HE1   
845  H HE2   . PHE   A 47  ? 0.14398061 0.15278007 0.01123039 0.00036836  -0.00191910 -0.00624466 159 PHE   A HE2   
846  H HZ    . PHE   A 47  ? 0.14534898 0.15388218 0.00662149 0.00187002  -0.00198397 -0.00622716 159 PHE   A HZ    
847  N N     . ASN   A 48  ? 0.13807179 0.14506693 0.00744223 0.00656460  0.00964408  -0.00699395 160 ASN   A N     
848  C CA    . ASN   A 48  ? 0.13960063 0.14530592 0.01241477 0.00798125  0.00543286  -0.00854282 160 ASN   A CA    
849  C C     . ASN   A 48  ? 0.14219850 0.14588839 0.01347829 0.00807089  0.00398530  -0.00989210 160 ASN   A C     
850  O O     . ASN   A 48  ? 0.14293554 0.14764458 0.01715133 0.00818226  0.00720781  -0.00860218 160 ASN   A O     
851  C CB    . ASN   A 48  ? 0.14300062 0.14688964 0.01311843 0.01036003  0.00298658  -0.01043418 160 ASN   A CB    
852  C CG    . ASN   A 48  ? 0.14682004 0.14913011 0.01788865 0.01338959  0.00300897  -0.00802865 160 ASN   A CG    
853  O OD1   . ASN   A 48  ? 0.15125170 0.15507537 0.02823456 0.01887688  -0.00301679 -0.01058772 160 ASN   A OD1   
854  N ND2   . ASN   A 48  ? 0.15105969 0.14747597 0.02729652 0.01173355  0.00238944  -0.00984678 160 ASN   A ND2   
855  H H     . ASN   A 48  ? 0.13775110 0.14495245 0.00735468 0.00635547  0.00859525  -0.00756028 160 ASN   A H     
856  H HA    . ASN   A 48  ? 0.13987330 0.14548367 0.01102010 0.00804755  0.00560132  -0.00876694 160 ASN   A HA    
857  H HB2   . ASN   A 48  ? 0.14296217 0.14671600 0.01381587 0.01050924  0.00363114  -0.01000014 160 ASN   A HB2   
858  H HB3   . ASN   A 48  ? 0.14297165 0.14697438 0.01416870 0.01045216  0.00344194  -0.00981388 160 ASN   A HB3   
859  H HD21  . ASN   A 48  ? 0.15018880 0.14794870 0.02474926 0.01175225  0.00291605  -0.00970995 160 ASN   A HD21  
860  H HD22  . ASN   A 48  ? 0.15006292 0.14775616 0.02490111 0.01202395  0.00269426  -0.00960168 160 ASN   A HD22  
861  N N     . PRO   A 49  ? 0.14376535 0.14525218 0.00902437 0.00874944  0.00516576  -0.01024296 161 PRO   A N     
862  C CA    . PRO   A 49  ? 0.14352551 0.14685820 0.01192192 0.00944018  0.00416168  -0.01210658 161 PRO   A CA    
863  C C     . PRO   A 49  ? 0.14951086 0.14818561 0.01123255 0.00900804  0.00258148  -0.01158792 161 PRO   A C     
864  O O     . PRO   A 49  ? 0.14911383 0.15383931 0.02548772 0.00693531  0.00507476  -0.00790515 161 PRO   A O     
865  C CB    . PRO   A 49  ? 0.14311278 0.14794604 0.01236207 0.00782669  0.00318093  -0.01158454 161 PRO   A CB    
866  C CG    . PRO   A 49  ? 0.14405189 0.14915229 0.01154144 0.00816699  0.00297384  -0.01317661 161 PRO   A CG    
867  C CD    . PRO   A 49  ? 0.14375736 0.14623201 0.01053549 0.00888017  0.00549366  -0.01201378 161 PRO   A CD    
868  H HA    . PRO   A 49  ? 0.14404798 0.14693841 0.01146823 0.00906456  0.00403946  -0.01158690 161 PRO   A HA    
869  H HB2   . PRO   A 49  ? 0.14326468 0.14785977 0.01241162 0.00803610  0.00332957  -0.01192413 161 PRO   A HB2   
870  H HB3   . PRO   A 49  ? 0.14326631 0.14787048 0.01276504 0.00814068  0.00342648  -0.01206766 161 PRO   A HB3   
871  H HG2   . PRO   A 49  ? 0.14382362 0.14843236 0.01165338 0.00828057  0.00342659  -0.01280447 161 PRO   A HG2   
872  H HG3   . PRO   A 49  ? 0.14392480 0.14853841 0.01175138 0.00840221  0.00330774  -0.01291096 161 PRO   A HG3   
873  H HD2   . PRO   A 49  ? 0.14361389 0.14645396 0.01060257 0.00865310  0.00508184  -0.01182427 161 PRO   A HD2   
874  H HD3   . PRO   A 49  ? 0.14372310 0.14635183 0.01052695 0.00873589  0.00503277  -0.01183524 161 PRO   A HD3   
875  N N     . ARG   A 50  ? 0.15229829 0.14912269 0.01258312 0.01184357  -0.00364863 -0.01165210 162 ARG   A N     
876  C CA    . ARG   A 50  ? 0.15706313 0.15174504 0.02024576 0.01306393  -0.00343150 -0.01134946 162 ARG   A CA    
877  C C     . ARG   A 50  ? 0.15943226 0.15420322 0.02214207 0.01550875  -0.00405226 -0.01285879 162 ARG   A C     
878  O O     . ARG   A 50  ? 0.15945035 0.15879896 0.02960010 0.01390097  -0.00118198 -0.01651700 162 ARG   A O     
879  C CB    . ARG   A 50  ? 0.15884271 0.15384668 0.02533449 0.01421636  -0.00605518 -0.01049712 162 ARG   A CB    
880  C CG    . ARG   A 50  ? 0.16063362 0.15420684 0.02460314 0.01605628  -0.01112390 -0.01070357 162 ARG   A CG    
881  C CD    . ARG   A 50  ? 0.16252621 0.15116781 0.02137249 0.01818776  -0.01152715 -0.01469761 162 ARG   A CD    
882  N NE    . ARG   A 50  ? 0.16676508 0.15057519 0.02445414 0.02006293  -0.01219575 -0.01673688 162 ARG   A NE    
883  C CZ    . ARG   A 50  ? 0.17025812 0.15058284 0.01811806 0.01878560  -0.01226863 -0.01532499 162 ARG   A CZ    
884  N NH1   . ARG   A 50  ? 0.17241010 0.15222621 0.02257150 0.01961821  -0.01092395 -0.01932649 162 ARG   A NH1   
885  N NH2   . ARG   A 50  ? 0.17345215 0.15215574 0.02341114 0.02131800  -0.01583613 -0.01919298 162 ARG   A NH2   
886  H H     . ARG   A 50  ? 0.15264419 0.14938253 0.01393264 0.01159330  -0.00250684 -0.01167297 162 ARG   A H     
887  H HA    . ARG   A 50  ? 0.15677729 0.15194584 0.02002986 0.01326537  -0.00368323 -0.01148176 162 ARG   A HA    
888  H HB2   . ARG   A 50  ? 0.15872112 0.15346456 0.02439104 0.01436900  -0.00637625 -0.01073266 162 ARG   A HB2   
889  H HB3   . ARG   A 50  ? 0.15874486 0.15354957 0.02437939 0.01436636  -0.00640396 -0.01075245 162 ARG   A HB3   
890  H HG2   . ARG   A 50  ? 0.16086833 0.15355608 0.02427065 0.01612400  -0.01047811 -0.01142675 162 ARG   A HG2   
891  H HG3   . ARG   A 50  ? 0.16067456 0.15362552 0.02415694 0.01606409  -0.01033619 -0.01143157 162 ARG   A HG3   
892  H HD2   . ARG   A 50  ? 0.16276139 0.15151560 0.02259620 0.01813158  -0.01143112 -0.01437927 162 ARG   A HD2   
893  H HD3   . ARG   A 50  ? 0.16294006 0.15140185 0.02264981 0.01816614  -0.01153084 -0.01437606 162 ARG   A HD3   
894  H HE    . ARG   A 50  ? 0.16641103 0.15051161 0.02270059 0.01964305  -0.01207733 -0.01605308 162 ARG   A HE    
895  H HH11  . ARG   A 50  ? 0.17208649 0.15176950 0.02233193 0.01949800  -0.01090247 -0.01834819 162 ARG   A HH11  
896  H HH12  . ARG   A 50  ? 0.17161815 0.15154235 0.02181257 0.01949894  -0.01113981 -0.01853073 162 ARG   A HH12  
897  H HH21  . ARG   A 50  ? 0.17265448 0.15170693 0.02234639 0.02069797  -0.01488028 -0.01825423 162 ARG   A HH21  
898  H HH22  . ARG   A 50  ? 0.17263192 0.15170899 0.02229888 0.02067628  -0.01485812 -0.01822490 162 ARG   A HH22  
899  N N     . PHE   A 51  ? 0.16353965 0.16186059 0.02775403 0.01195063  -0.00272635 -0.01069646 163 PHE   A N     
900  C CA    . PHE   A 51  ? 0.17329770 0.16692133 0.03219049 0.01125504  -0.00196277 -0.01432718 163 PHE   A CA    
901  C C     . PHE   A 51  ? 0.18940100 0.17149466 0.04383311 0.01512502  0.00001790  -0.01414030 163 PHE   A C     
902  O O     . PHE   A 51  ? 0.19983770 0.18093809 0.05034174 0.01896453  0.00138791  -0.02337613 163 PHE   A O     
903  C CB    . PHE   A 51  ? 0.17202371 0.17055058 0.03972621 0.00851409  -0.00556329 -0.01019723 163 PHE   A CB    
904  C CG    . PHE   A 51  ? 0.16652477 0.17412400 0.04659979 0.00578839  -0.00856041 -0.00412885 163 PHE   A CG    
905  C CD1   . PHE   A 51  ? 0.16546553 0.17707276 0.04845193 0.00717102  -0.00579311 -0.00266445 163 PHE   A CD1   
906  C CD2   . PHE   A 51  ? 0.16621467 0.17624146 0.04770395 0.00366193  -0.01170125 -0.00466659 163 PHE   A CD2   
907  C CE1   . PHE   A 51  ? 0.16632679 0.17698073 0.05663047 0.00676050  -0.00238276 0.00024410  163 PHE   A CE1   
908  C CE2   . PHE   A 51  ? 0.16582461 0.17829269 0.05068191 0.00172381  -0.01132156 0.00098942  163 PHE   A CE2   
909  C CZ    . PHE   A 51  ? 0.16706926 0.17945765 0.05797843 0.00428164  -0.00323130 0.00262854  163 PHE   A CZ    
910  H H     . PHE   A 51  ? 0.16401395 0.16098523 0.02716914 0.01243421  -0.00270449 -0.01183516 163 PHE   A H     
911  H HA    . PHE   A 51  ? 0.17313516 0.16703062 0.03416059 0.01160670  -0.00215043 -0.01285020 163 PHE   A HA    
912  H HB2   . PHE   A 51  ? 0.17142281 0.17032313 0.03991831 0.00858143  -0.00551347 -0.01000881 163 PHE   A HB2   
913  H HB3   . PHE   A 51  ? 0.17144084 0.17035446 0.03972854 0.00855116  -0.00547782 -0.01002004 163 PHE   A HB3   
914  H HD1   . PHE   A 51  ? 0.16603684 0.17624043 0.04868593 0.00688004  -0.00587316 -0.00241300 163 PHE   A HD1   
915  H HD2   . PHE   A 51  ? 0.16629067 0.17587608 0.04797994 0.00392687  -0.01079950 -0.00388433 163 PHE   A HD2   
916  H HE1   . PHE   A 51  ? 0.16625136 0.17732768 0.05515188 0.00635804  -0.00328064 0.00011353  163 PHE   A HE1   
917  H HE2   . PHE   A 51  ? 0.16596523 0.17804810 0.05030616 0.00265672  -0.01035434 0.00038503  163 PHE   A HE2   
918  H HZ    . PHE   A 51  ? 0.16677509 0.17892373 0.05614159 0.00411012  -0.00445992 0.00175845  163 PHE   A HZ    
919  N N     . ASN   A 52  ? 0.20121220 0.17930344 0.05180062 0.01694456  -0.00155518 -0.00558242 164 ASN   A N     
920  C CA    . ASN   A 52  ? 0.22115688 0.19547249 0.07599839 0.02485735  -0.00277852 0.00025854  164 ASN   A CA    
921  C C     . ASN   A 52  ? 0.22392473 0.20204979 0.06325845 0.02730052  -0.00153510 0.00685336  164 ASN   A C     
922  O O     . ASN   A 52  ? 0.24268866 0.24226879 0.07650599 0.02131909  0.00339276  0.02789213  164 ASN   A O     
923  C CB    . ASN   A 52  ? 0.24948037 0.21295528 0.11678464 0.01563403  -0.00204860 0.00615892  164 ASN   A CB    
924  C CG    . ASN   A 52  ? 0.27644980 0.23027550 0.16231373 0.02540778  0.00469889  0.01578271  164 ASN   A CG    
925  O OD1   . ASN   A 52  ? 0.30094770 0.26115215 0.20291340 0.03367110  0.03175010  0.02334393  164 ASN   A OD1   
926  N ND2   . ASN   A 52  ? 0.30997509 0.24932986 0.21182740 0.01169600  0.00558482  0.02520667  164 ASN   A ND2   
927  H H     . ASN   A 52  ? 0.20031713 0.17926645 0.05317185 0.01765340  -0.00143427 -0.00644424 164 ASN   A H     
928  H HA    . ASN   A 52  ? 0.22083195 0.19495735 0.07484487 0.02296536  -0.00253483 0.00108698  164 ASN   A HA    
929  H HB2   . ASN   A 52  ? 0.24724492 0.21098097 0.11462484 0.01920591  -0.00063302 0.00641085  164 ASN   A HB2   
930  H HB3   . ASN   A 52  ? 0.24735305 0.21109554 0.11561297 0.01917875  -0.00219447 0.00658345  164 ASN   A HB3   
931  H HD21  . ASN   A 52  ? 0.30633894 0.24526429 0.19802587 0.01504599  0.00442027  0.02367231  164 ASN   A HD21  
932  H HD22  . ASN   A 52  ? 0.30398712 0.24886993 0.19834776 0.01338378  0.00548110  0.02381086  164 ASN   A HD22  
933  N N     . GLU   A 53  ? 0.22129454 0.18614675 0.03186313 0.03169960  -0.00798776 -0.00076174 165 GLU   A N     
934  C CA    . GLU   A 53  ? 0.22509338 0.18461096 0.02356814 0.03379661  -0.00931623 -0.00773747 165 GLU   A CA    
935  C C     . GLU   A 53  ? 0.22800106 0.18263552 0.02488752 0.03548820  -0.00979584 -0.01007059 165 GLU   A C     
936  O O     . GLU   A 53  ? 0.23891388 0.17548078 0.03242561 0.03785542  0.00286535  -0.00655303 165 GLU   A O     
937  C CB    . GLU   A 53  ? 0.22681625 0.18957675 0.03271963 0.03230986  -0.00929151 -0.01501733 165 GLU   A CB    
938  C CG    . GLU   A 53  ? 0.22929484 0.19650102 0.03415753 0.03136130  -0.00961770 -0.02402866 165 GLU   A CG    
939  C CD    . GLU   A 53  ? 0.23958696 0.19997452 0.04561618 0.03090946  -0.00999698 -0.03270727 165 GLU   A CD    
940  O OE1   . GLU   A 53  ? 0.25960046 0.20412844 0.03821627 0.02808873  -0.01013892 -0.03455187 165 GLU   A OE1   
941  O OE2   . GLU   A 53  ? 0.23786241 0.21279867 0.06145504 0.02579483  -0.00913086 -0.05077469 165 GLU   A OE2   
942  H H     . GLU   A 53  ? 0.22273277 0.18741351 0.03408479 0.03129495  -0.00685838 0.00048637  165 GLU   A H     
943  H HA    . GLU   A 53  ? 0.22540331 0.18512540 0.02560828 0.03334835  -0.00869017 -0.00708324 165 GLU   A HA    
944  H HB2   . GLU   A 53  ? 0.22687626 0.18974134 0.03164296 0.03242047  -0.00944531 -0.01518675 165 GLU   A HB2   
945  H HB3   . GLU   A 53  ? 0.22693738 0.18970692 0.03185920 0.03252602  -0.00946750 -0.01524399 165 GLU   A HB3   
946  H HG2   . GLU   A 53  ? 0.23035403 0.19582285 0.03578696 0.03154915  -0.00941073 -0.02373927 165 GLU   A HG2   
947  H HG3   . GLU   A 53  ? 0.23033580 0.19594464 0.03535028 0.03131960  -0.00910525 -0.02366350 165 GLU   A HG3   
948  N N     . ASN   A 54  ? 0.23220652 0.18642576 0.03068970 0.04180580  -0.01704468 -0.01236061 166 ASN   A N     
949  C CA    . ASN   A 54  ? 0.23819138 0.19617812 0.05094219 0.04573064  -0.01728129 -0.01922739 166 ASN   A CA    
950  C C     . ASN   A 54  ? 0.23507534 0.18868449 0.04845535 0.04878149  -0.01417203 -0.01644902 166 ASN   A C     
951  O O     . ASN   A 54  ? 0.23654781 0.19861725 0.05255068 0.04288777  -0.01008901 -0.01296936 166 ASN   A O     
952  C CB    . ASN   A 54  ? 0.24652356 0.21875274 0.08232530 0.04409699  -0.02618047 -0.02509058 166 ASN   A CB    
953  C CG    . ASN   A 54  ? 0.25722164 0.24652392 0.09815076 0.04895299  -0.01998801 -0.03197901 166 ASN   A CG    
954  O OD1   . ASN   A 54  ? 0.27739203 0.29904544 0.15659061 0.03750021  -0.00977854 -0.02706072 166 ASN   A OD1   
955  N ND2   . ASN   A 54  ? 0.26220003 0.24380046 0.10606185 0.06012742  -0.02626045 -0.03385016 166 ASN   A ND2   
956  H H     . ASN   A 54  ? 0.23210071 0.18726833 0.03286855 0.04111305  -0.01541559 -0.01278025 166 ASN   A H     
957  H HA    . ASN   A 54  ? 0.23806737 0.19647843 0.05152199 0.04547398  -0.01778196 -0.01849780 166 ASN   A HA    
958  H HB2   . ASN   A 54  ? 0.24641788 0.21815044 0.08137827 0.04558285  -0.02329005 -0.02470403 166 ASN   A HB2   
959  H HB3   . ASN   A 54  ? 0.24630833 0.21835399 0.07886642 0.04554039  -0.02326739 -0.02516351 166 ASN   A HB3   
960  H HD21  . ASN   A 54  ? 0.26173872 0.24337623 0.10318834 0.05827028  -0.02572230 -0.03352171 166 ASN   A HD21  
961  H HD22  . ASN   A 54  ? 0.26102677 0.24408102 0.10393661 0.05827464  -0.02500314 -0.03360739 166 ASN   A HD22  
962  N N     . ASN   A 55  ? 0.23930305 0.19912410 0.04757865 0.04985407  -0.01511210 -0.01903336 167 ASN   A N     
963  C CA    . ASN   A 55  ? 0.24764630 0.21559052 0.04965407 0.05314470  -0.02076552 -0.01846464 167 ASN   A CA    
964  C C     . ASN   A 55  ? 0.26242030 0.23232511 0.04325567 0.06322312  -0.01557730 -0.00592373 167 ASN   A C     
965  O O     . ASN   A 55  ? 0.28627437 0.25939715 0.04590126 0.07029802  -0.01645049 -0.01656551 167 ASN   A O     
966  C CB    . ASN   A 55  ? 0.24914944 0.21777353 0.08247492 0.05168294  -0.03003799 -0.02930034 167 ASN   A CB    
967  C CG    . ASN   A 55  ? 0.25345147 0.21759978 0.12106823 0.04637931  -0.02013752 -0.02844119 167 ASN   A CG    
968  O OD1   . ASN   A 55  ? 0.26865044 0.22157571 0.13412687 0.05018287  -0.02297253 -0.02060002 167 ASN   A OD1   
969  N ND2   . ASN   A 55  ? 0.25863412 0.23313767 0.16896085 0.04473822  -0.02323308 -0.02435404 167 ASN   A ND2   
970  H H     . ASN   A 55  ? 0.23930404 0.19957505 0.04760393 0.04998944  -0.01558124 -0.01832646 167 ASN   A H     
971  H HA    . ASN   A 55  ? 0.24837005 0.21571968 0.05530706 0.05342749  -0.02005453 -0.01795089 167 ASN   A HA    
972  H HB2   . ASN   A 55  ? 0.24942937 0.21719921 0.08186840 0.05094006  -0.02683976 -0.02688906 167 ASN   A HB2   
973  H HB3   . ASN   A 55  ? 0.24966761 0.21744239 0.08062015 0.05097454  -0.02748861 -0.02736117 167 ASN   A HB3   
974  H HD21  . ASN   A 55  ? 0.25900638 0.23013707 0.15604450 0.04495113  -0.02057797 -0.02634926 167 ASN   A HD21  
975  H HD22  . ASN   A 55  ? 0.25822771 0.23080316 0.15766132 0.04632913  -0.02232764 -0.02682045 167 ASN   A HD22  
976  N N     . ARG   A 56  ? 0.26508924 0.22943860 0.03492322 0.06709791  -0.00581409 0.00998405  168 ARG   A N     
977  C CA    . ARG   A 56  ? 0.27095684 0.22769406 0.05581264 0.06640621  0.00622610  0.01211462  168 ARG   A CA    
978  C C     . ARG   A 56  ? 0.24553388 0.21385986 0.02229489 0.05021817  0.00754538  0.00538310  168 ARG   A C     
979  O O     . ARG   A 56  ? 0.25067598 0.21695894 0.02597568 0.05620725  0.01451177  0.00430331  168 ARG   A O     
980  C CB    . ARG   A 56  ? 0.28417167 0.26042604 0.09543990 0.06258523  0.00869829  0.01217028  168 ARG   A CB    
981  C CG    . ARG   A 56  ? 0.30449715 0.27443814 0.09541514 0.06129002  0.01090681  0.00253609  168 ARG   A CG    
982  C CD    . ARG   A 56  ? 0.31310818 0.30093518 0.11120365 0.05923200  0.01048612  -0.00127860 168 ARG   A CD    
983  N NE    . ARG   A 56  ? 0.33418351 0.31122103 0.12961157 0.05176552  0.00250502  -0.00510010 168 ARG   A NE    
984  C CZ    . ARG   A 56  ? 0.33765426 0.31497413 0.11933824 0.05450939  -0.00464346 -0.01205131 168 ARG   A CZ    
985  N NH1   . ARG   A 56  ? 0.35240838 0.31673902 0.13760868 0.05112225  -0.01362994 -0.00606056 168 ARG   A NH1   
986  N NH2   . ARG   A 56  ? 0.34600204 0.32358140 0.11030912 0.04691602  -0.00687090 -0.01443690 168 ARG   A NH2   
987  H H     . ARG   A 56  ? 0.26496246 0.22927335 0.03654583 0.06592513  -0.00536887 0.00587322  168 ARG   A H     
988  H HA    . ARG   A 56  ? 0.26790941 0.22919989 0.05332213 0.06454775  0.00689330  0.01221226  168 ARG   A HA    
989  H HB2   . ARG   A 56  ? 0.28425777 0.25782341 0.08854182 0.06265692  0.00823723  0.00903989  168 ARG   A HB2   
990  H HB3   . ARG   A 56  ? 0.28553960 0.25846830 0.08829488 0.06211329  0.00764928  0.01122855  168 ARG   A HB3   
991  H HG2   . ARG   A 56  ? 0.30090135 0.27362299 0.09657846 0.06163562  0.01063039  0.00348707  168 ARG   A HG2   
992  H HG3   . ARG   A 56  ? 0.30205590 0.27487817 0.09778191 0.06170126  0.01095380  0.00364140  168 ARG   A HG3   
993  H HD2   . ARG   A 56  ? 0.31551674 0.29875648 0.11215546 0.05843035  0.00955405  -0.00142348 168 ARG   A HD2   
994  H HD3   . ARG   A 56  ? 0.31562352 0.29830563 0.11122549 0.05839730  0.00927133  -0.00128022 168 ARG   A HD3   
995  H HE    . ARG   A 56  ? 0.33082446 0.31019047 0.12475451 0.05387643  0.00282463  -0.00551943 168 ARG   A HE    
996  H HH11  . ARG   A 56  ? 0.35116526 0.31649762 0.13276029 0.05136876  -0.01191351 -0.00728302 168 ARG   A HH11  
997  H HH12  . ARG   A 56  ? 0.34947622 0.31641126 0.13281725 0.05227567  -0.01150726 -0.00736975 168 ARG   A HH12  
998  H HH21  . ARG   A 56  ? 0.34539598 0.32203054 0.11298782 0.04829897  -0.00662945 -0.01344202 168 ARG   A HH21  
999  H HH22  . ARG   A 56  ? 0.34373727 0.32268137 0.11270800 0.04856771  -0.00603593 -0.01325363 168 ARG   A HH22  
1000 N N     . ARG   A 57  ? 0.21499906 0.18990821 0.00992312 0.04065585  0.00491218  -0.00771037 169 ARG   A N     
1001 C CA    . ARG   A 57  ? 0.19966957 0.18221390 0.00731633 0.03029549  0.00342889  -0.01117739 169 ARG   A CA    
1002 C C     . ARG   A 57  ? 0.19022043 0.18379006 0.01281124 0.02447639  0.00689349  -0.01600039 169 ARG   A C     
1003 O O     . ARG   A 57  ? 0.20160325 0.20262063 0.02186567 0.01426887  0.01495241  -0.02389160 169 ARG   A O     
1004 C CB    . ARG   A 57  ? 0.20332928 0.18420810 0.01609396 0.02871595  -0.00340752 -0.01101295 169 ARG   A CB    
1005 C CG    . ARG   A 57  ? 0.21176192 0.19146627 0.02451627 0.02423389  -0.00978929 -0.01323541 169 ARG   A CG    
1006 C CD    . ARG   A 57  ? 0.21342218 0.20194106 0.04868048 0.02587322  -0.01593560 -0.01587568 169 ARG   A CD    
1007 N NE    . ARG   A 57  ? 0.21524888 0.20776662 0.04999480 0.02938978  -0.01796106 -0.01584491 169 ARG   A NE    
1008 C CZ    . ARG   A 57  ? 0.22194046 0.22148503 0.07604857 0.03643326  -0.02172199 -0.00763494 169 ARG   A CZ    
1009 N NH1   . ARG   A 57  ? 0.24140169 0.23002888 0.07879206 0.03273550  -0.01988498 -0.00490647 169 ARG   A NH1   
1010 N NH2   . ARG   A 57  ? 0.22241586 0.23814751 0.09670594 0.03496929  -0.02208588 0.00265898  169 ARG   A NH2   
1011 H H     . ARG   A 57  ? 0.21614331 0.19197080 0.01069582 0.04065383  0.00592198  -0.00589337 169 ARG   A H     
1012 H HA    . ARG   A 57  ? 0.19977525 0.18354231 0.00921972 0.03044204  0.00431985  -0.01082894 169 ARG   A HA    
1013 H HB2   . ARG   A 57  ? 0.20388347 0.18495005 0.01622790 0.02829994  -0.00307798 -0.01131099 169 ARG   A HB2   
1014 H HB3   . ARG   A 57  ? 0.20350471 0.18454713 0.01615752 0.02835468  -0.00298127 -0.01132729 169 ARG   A HB3   
1015 H HG2   . ARG   A 57  ? 0.21047705 0.19146797 0.02630660 0.02509148  -0.00908443 -0.01260566 169 ARG   A HG2   
1016 H HG3   . ARG   A 57  ? 0.21085575 0.19191673 0.02692277 0.02515119  -0.00949180 -0.01283807 169 ARG   A HG3   
1017 H HD2   . ARG   A 57  ? 0.21391430 0.20138615 0.04496365 0.02595446  -0.01534237 -0.01487672 169 ARG   A HD2   
1018 H HD3   . ARG   A 57  ? 0.21352123 0.20103596 0.04443191 0.02620978  -0.01503321 -0.01512875 169 ARG   A HD3   
1019 H HE    . ARG   A 57  ? 0.21549162 0.20867130 0.05372518 0.03016853  -0.01794983 -0.01435230 169 ARG   A HE    
1020 H HH11  . ARG   A 57  ? 0.23781691 0.22820306 0.07926424 0.03336412  -0.01929531 -0.00608626 169 ARG   A HH11  
1021 H HH12  . ARG   A 57  ? 0.23853759 0.22762275 0.07798724 0.03389919  -0.02024619 -0.00582340 169 ARG   A HH12  
1022 H HH21  . ARG   A 57  ? 0.22292286 0.23393029 0.09141352 0.03512707  -0.02144273 -0.00049583 169 ARG   A HH21  
1023 H HH22  . ARG   A 57  ? 0.22244596 0.23363233 0.09124748 0.03565709  -0.02220739 -0.00103912 169 ARG   A HH22  
1024 N N     . VAL   A 58  ? 0.17445870 0.17415884 0.01954125 0.01911601  0.00727539  -0.01797553 170 VAL   A N     
1025 C CA    . VAL   A 58  ? 0.16922280 0.17469476 0.03221071 0.01690836  0.00554455  -0.01935031 170 VAL   A CA    
1026 C C     . VAL   A 58  ? 0.15967028 0.16853119 0.03480912 0.01331317  0.00378882  -0.01953912 170 VAL   A C     
1027 O O     . VAL   A 58  ? 0.16499773 0.16619228 0.04904924 0.00956242  0.01279060  -0.02492625 170 VAL   A O     
1028 C CB    . VAL   A 58  ? 0.16980347 0.18115985 0.05086621 0.01871579  0.00140228  -0.01648107 170 VAL   A CB    
1029 C CG1   . VAL   A 58  ? 0.17332874 0.18323167 0.05222748 0.01678221  -0.00238537 -0.01308222 170 VAL   A CG1   
1030 C CG2   . VAL   A 58  ? 0.17481942 0.18546365 0.06668524 0.01817671  0.00040960  -0.01608733 170 VAL   A CG2   
1031 H H     . VAL   A 58  ? 0.17566048 0.17600179 0.02037594 0.01962616  0.00750768  -0.01749501 170 VAL   A H     
1032 H HA    . VAL   A 58  ? 0.16878334 0.17444184 0.03287845 0.01691759  0.00521520  -0.01869151 170 VAL   A HA    
1033 H HB    . VAL   A 58  ? 0.17070082 0.18092701 0.04993383 0.01833437  0.00163689  -0.01640178 170 VAL   A HB    
1034 H HG11  . VAL   A 58  ? 0.17282262 0.18307255 0.05217370 0.01676265  -0.00181693 -0.01347292 170 VAL   A HG11  
1035 H HG12  . VAL   A 58  ? 0.17265524 0.18279766 0.05188043 0.01721377  -0.00157502 -0.01373612 170 VAL   A HG12  
1036 H HG13  . VAL   A 58  ? 0.17274497 0.18283103 0.05194297 0.01723305  -0.00172751 -0.01377300 170 VAL   A HG13  
1037 H HG21  . VAL   A 58  ? 0.17427471 0.18456224 0.06389964 0.01801262  0.00095921  -0.01637733 170 VAL   A HG21  
1038 H HG22  . VAL   A 58  ? 0.17406940 0.18463320 0.06491083 0.01841480  0.00005205  -0.01664254 170 VAL   A HG22  
1039 H HG23  . VAL   A 58  ? 0.17393316 0.18487687 0.06355436 0.01781635  0.00039848  -0.01592647 170 VAL   A HG23  
1040 N N     . ILE   A 59  ? 0.15872046 0.16932496 0.03579883 0.01062397  0.00211546  -0.02096396 171 ILE   A N     
1041 C CA    . ILE   A 59  ? 0.16246751 0.16951163 0.04183297 0.01232683  -0.00123545 -0.02078958 171 ILE   A CA    
1042 C C     . ILE   A 59  ? 0.15478791 0.16602936 0.03235345 0.00914457  0.00487450  -0.01693558 171 ILE   A C     
1043 O O     . ILE   A 59  ? 0.15981224 0.17583999 0.02846458 0.00218339  0.00742596  -0.01577556 171 ILE   A O     
1044 C CB    . ILE   A 59  ? 0.18107823 0.17739810 0.05947204 0.01312459  -0.00481682 -0.01472722 171 ILE   A CB    
1045 C CG1   . ILE   A 59  ? 0.19203019 0.18542874 0.06137834 0.01399896  -0.00527457 -0.01725463 171 ILE   A CG1   
1046 C CG2   . ILE   A 59  ? 0.18762738 0.17759074 0.06514721 0.01502015  -0.00893109 -0.01686993 171 ILE   A CG2   
1047 C CD1   . ILE   A 59  ? 0.19432816 0.19058967 0.07367875 0.01448821  -0.00128999 -0.02336404 171 ILE   A CD1   
1048 H H     . ILE   A 59  ? 0.15948020 0.16921727 0.03651012 0.01127826  0.00235925  -0.02053671 171 ILE   A H     
1049 H HA    . ILE   A 59  ? 0.16292037 0.16976534 0.04160393 0.01193061  -0.00019035 -0.01942347 171 ILE   A HA    
1050 H HB    . ILE   A 59  ? 0.18032643 0.17739190 0.05723413 0.01334979  -0.00464355 -0.01636322 171 ILE   A HB    
1051 H HG12  . ILE   A 59  ? 0.19019863 0.18489525 0.06285597 0.01365643  -0.00453934 -0.01727366 171 ILE   A HG12  
1052 H HG13  . ILE   A 59  ? 0.19035639 0.18465799 0.06301676 0.01392010  -0.00445716 -0.01743593 171 ILE   A HG13  
1053 H HG21  . ILE   A 59  ? 0.18628812 0.17767918 0.06405444 0.01468466  -0.00792731 -0.01664291 171 ILE   A HG21  
1054 H HG22  . ILE   A 59  ? 0.18688425 0.17771491 0.06406842 0.01495504  -0.00808944 -0.01662453 171 ILE   A HG22  
1055 H HG23  . ILE   A 59  ? 0.18619908 0.17748818 0.06405388 0.01473360  -0.00783811 -0.01646356 171 ILE   A HG23  
1056 H HD11  . ILE   A 59  ? 0.19372424 0.18952852 0.07140315 0.01449709  -0.00204080 -0.02211184 171 ILE   A HD11  
1057 H HD12  . ILE   A 59  ? 0.19389887 0.18962082 0.07293205 0.01459268  -0.00157241 -0.02194495 171 ILE   A HD12  
1058 H HD13  . ILE   A 59  ? 0.19376779 0.19031332 0.07177783 0.01459433  -0.00204159 -0.02267059 171 ILE   A HD13  
1059 N N     . VAL   A 60  ? 0.14289291 0.15992197 0.03072135 0.00642306  0.00199319  -0.01959502 172 VAL   A N     
1060 C CA    . VAL   A 60  ? 0.14264396 0.15748802 0.02784275 0.00608677  0.00000455  -0.01070325 172 VAL   A CA    
1061 C C     . VAL   A 60  ? 0.13403827 0.15450858 0.01767394 0.00573417  -0.00053211 -0.00969498 172 VAL   A C     
1062 O O     . VAL   A 60  ? 0.13249375 0.16042913 0.03818830 0.00469182  -0.00002289 -0.01166752 172 VAL   A O     
1063 C CB    . VAL   A 60  ? 0.15119080 0.16334434 0.03434389 0.00399919  0.00048071  -0.00531594 172 VAL   A CB    
1064 C CG1   . VAL   A 60  ? 0.15686597 0.16820551 0.03430594 0.00392839  -0.00363434 0.00029765  172 VAL   A CG1   
1065 C CG2   . VAL   A 60  ? 0.15720654 0.16630888 0.04386253 0.00568954  0.00154430  -0.00475276 172 VAL   A CG2   
1066 H H     . VAL   A 60  ? 0.14419156 0.16059560 0.03074713 0.00659799  0.00238745  -0.01744151 172 VAL   A H     
1067 H HA    . VAL   A 60  ? 0.14246887 0.15811566 0.02744446 0.00593015  0.00028417  -0.01116947 172 VAL   A HA    
1068 H HB    . VAL   A 60  ? 0.15102813 0.16332506 0.03444875 0.00454110  0.00011159  -0.00528859 172 VAL   A HB    
1069 H HG11  . VAL   A 60  ? 0.15619773 0.16715351 0.03446241 0.00402304  -0.00290226 -0.00087189 172 VAL   A HG11  
1070 H HG12  . VAL   A 60  ? 0.15576814 0.16762704 0.03448572 0.00361878  -0.00291618 -0.00059591 172 VAL   A HG12  
1071 H HG13  . VAL   A 60  ? 0.15570666 0.16694126 0.03430736 0.00391174  -0.00277500 -0.00065728 172 VAL   A HG13  
1072 H HG21  . VAL   A 60  ? 0.15603925 0.16578923 0.04243296 0.00558318  0.00146595  -0.00528667 172 VAL   A HG21  
1073 H HG22  . VAL   A 60  ? 0.15623988 0.16563904 0.04283778 0.00571459  0.00199502  -0.00474332 172 VAL   A HG22  
1074 H HG23  . VAL   A 60  ? 0.15655734 0.16573039 0.04225765 0.00560579  0.00142106  -0.00504917 172 VAL   A HG23  
1075 N N     . CYS   A 61  ? 0.13218872 0.15230516 0.01443749 0.00719406  0.00219692  -0.00782629 173 CYS   A N     
1076 C CA    . CYS   A 61  ? 0.13679497 0.15492557 0.00852457 0.00820472  -0.00047278 -0.00895654 173 CYS   A CA    
1077 C C     . CYS   A 61  ? 0.13478610 0.15316699 0.00683866 0.00803851  0.00245488  -0.00804341 173 CYS   A C     
1078 O O     . CYS   A 61  ? 0.13682704 0.16296791 0.00717540 0.00903568  0.00259241  -0.01093148 173 CYS   A O     
1079 C CB    . CYS   A 61  ? 0.14828683 0.15691723 0.00910923 0.00947113  -0.00218308 -0.00762582 173 CYS   A CB    
1080 S SG    . CYS   A 61  ? 0.16841201 0.17072219 0.01143087 0.01209042  -0.01156633 -0.00890774 173 CYS   A SG    
1081 H H     . CYS   A 61  ? 0.13257058 0.15326312 0.01452487 0.00713318  0.00135759  -0.00848154 173 CYS   A H     
1082 H HA    . CYS   A 61  ? 0.13697834 0.15441887 0.00924305 0.00818240  0.00031901  -0.00846145 173 CYS   A HA    
1083 H HB2   . CYS   A 61  ? 0.14821309 0.15820152 0.00941348 0.00963739  -0.00304778 -0.00811875 173 CYS   A HB2   
1084 H HB3   . CYS   A 61  ? 0.14850169 0.15787108 0.00934928 0.00966035  -0.00309899 -0.00824509 173 CYS   A HB3   
1085 H HG    . CYS   A 61  ? 0.11990095 0.11990095 0.11990095 0.00000000  0.00000000  0.00000000  173 CYS   A HG    
1086 N N     . ASN   A 62  ? 0.13116118 0.14755563 0.00731778 0.00719525  0.00149346  -0.00921653 174 ASN   A N     
1087 C CA    . ASN   A 62  ? 0.13329414 0.14874125 0.00673242 0.00703632  0.00102014  -0.00740139 174 ASN   A CA    
1088 C C     . ASN   A 62  ? 0.13385859 0.14905754 0.00656000 0.00567420  0.00315044  -0.00447641 174 ASN   A C     
1089 O O     . ASN   A 62  ? 0.13436842 0.15265639 0.00685237 0.00522729  0.00533271  -0.00637735 174 ASN   A O     
1090 C CB    . ASN   A 62  ? 0.13811150 0.14866260 0.00803098 0.00699481  -0.00144383 -0.00730944 174 ASN   A CB    
1091 C CG    . ASN   A 62  ? 0.14156976 0.15006857 0.00669326 0.00792340  -0.00191903 -0.00702438 174 ASN   A CG    
1092 O OD1   . ASN   A 62  ? 0.14150564 0.15046015 0.01840497 0.00988148  0.00018512  -0.00416193 174 ASN   A OD1   
1093 N ND2   . ASN   A 62  ? 0.14615904 0.15136698 0.01302802 0.00761687  -0.00286579 -0.00506275 174 ASN   A ND2   
1094 H H     . ASN   A 62  ? 0.13181628 0.14877313 0.00689453 0.00747516  0.00159972  -0.00867392 174 ASN   A H     
1095 H HA    . ASN   A 62  ? 0.13365284 0.14868860 0.00670997 0.00687063  0.00109757  -0.00716858 174 ASN   A HA    
1096 H HB2   . ASN   A 62  ? 0.13783044 0.14901498 0.00743177 0.00720999  -0.00113352 -0.00723235 174 ASN   A HB2   
1097 H HB3   . ASN   A 62  ? 0.13802031 0.14892557 0.00733033 0.00725476  -0.00123909 -0.00732497 174 ASN   A HB3   
1098 H HD21  . ASN   A 62  ? 0.14495336 0.15112264 0.01120373 0.00794197  -0.00226714 -0.00537132 174 ASN   A HD21  
1099 H HD22  . ASN   A 62  ? 0.14532149 0.15111402 0.01160000 0.00784204  -0.00207505 -0.00542611 174 ASN   A HD22  
1100 N N     . THR   A 63  ? 0.13505363 0.15080008 0.00639924 0.00732940  0.00115563  -0.00278182 175 THR   A N     
1101 C CA    . THR   A 63  ? 0.14025608 0.15233530 0.00638257 0.00676918  0.00125398  -0.00229726 175 THR   A CA    
1102 C C     . THR   A 63  ? 0.14415675 0.15730147 0.00635728 0.00639424  -0.00177634 0.00043962  175 THR   A C     
1103 O O     . THR   A 63  ? 0.14756930 0.16047305 0.00665455 0.00919173  0.00465965  0.00538584  175 THR   A O     
1104 C CB    . THR   A 63  ? 0.14253078 0.15209515 0.00635838 0.00442809  -0.00063600 -0.00184436 175 THR   A CB    
1105 O OG1   . THR   A 63  ? 0.14440046 0.15331936 0.00635918 0.00100338  0.00098969  0.00170068  175 THR   A OG1   
1106 C CG2   . THR   A 63  ? 0.14476874 0.15063250 0.00641061 0.00548125  0.00071453  -0.00324471 175 THR   A CG2   
1107 H H     . THR   A 63  ? 0.13531710 0.15062331 0.00641674 0.00715232  0.00140258  -0.00307112 175 THR   A H     
1108 H HA    . THR   A 63  ? 0.14025933 0.15275411 0.00636057 0.00639843  0.00063189  -0.00188166 175 THR   A HA    
1109 H HB    . THR   A 63  ? 0.14266288 0.15213548 0.00634900 0.00437862  0.00005929  -0.00154371 175 THR   A HB    
1110 H HG1   . THR   A 63  ? 0.10116919 0.10116919 0.10116919 0.00000000  0.00000000  0.00000000  175 THR   A HG1   
1111 H HG21  . THR   A 63  ? 0.14427507 0.15091610 0.00639492 0.00526505  0.00037139  -0.00296191 175 THR   A HG21  
1112 H HG22  . THR   A 63  ? 0.14435667 0.15092579 0.00639543 0.00519179  0.00039105  -0.00297130 175 THR   A HG22  
1113 H HG23  . THR   A 63  ? 0.14440483 0.15107352 0.00640116 0.00518928  0.00040757  -0.00310555 175 THR   A HG23  
1114 N N     . LYS   A 64  ? 0.14895511 0.16055267 0.00647941 0.00670425  0.00085904  0.00470967  176 LYS   A N     
1115 C CA    . LYS   A 64  ? 0.16065264 0.16573182 0.00663857 0.00536124  0.00076266  0.00696322  176 LYS   A CA    
1116 C C     . LYS   A 64  ? 0.15790987 0.16594708 0.00953662 0.00558286  -0.00098286 0.00416923  176 LYS   A C     
1117 O O     . LYS   A 64  ? 0.15924016 0.17180277 0.01849037 0.00776184  -0.00317844 -0.00056254 176 LYS   A O     
1118 C CB    . LYS   A 64  ? 0.17421749 0.17477971 0.01354995 -0.00020389 0.00342613  0.00562171  176 LYS   A CB    
1119 C CG    . LYS   A 64  ? 0.19356067 0.18542571 0.02336397 -0.00231880 0.00540053  0.01250097  176 LYS   A CG    
1120 C CD    . LYS   A 64  ? 0.21441972 0.21018809 0.05701479 -0.01392771 0.00747431  0.01495831  176 LYS   A CD    
1121 C CE    . LYS   A 64  ? 0.23931463 0.22536582 0.08008592 -0.01430250 0.00825556  0.02215949  176 LYS   A CE    
1122 N NZ    . LYS   A 64  ? 0.25342679 0.25216511 0.11369143 -0.02151237 0.00507596  0.01956903  176 LYS   A NZ    
1123 H H     . LYS   A 64  ? 0.14956556 0.16038029 0.00645144 0.00652721  0.00028632  0.00427777  176 LYS   A H     
1124 H HA    . LYS   A 64  ? 0.15981770 0.16598210 0.00654956 0.00509874  0.00078419  0.00585409  176 LYS   A HA    
1125 H HB2   . LYS   A 64  ? 0.17419928 0.17405272 0.01262499 0.00046965  0.00321980  0.00670828  176 LYS   A HB2   
1126 H HB3   . LYS   A 64  ? 0.17421430 0.17421478 0.01295320 0.00039218  0.00320836  0.00699222  176 LYS   A HB3   
1127 H HG2   . LYS   A 64  ? 0.19169183 0.18595459 0.02519673 -0.00319073 0.00540725  0.01118776  176 LYS   A HG2   
1128 H HG3   . LYS   A 64  ? 0.19185247 0.18616426 0.02563699 -0.00319235 0.00548761  0.01140359  176 LYS   A HG3   
1129 H HD2   . LYS   A 64  ? 0.21326165 0.20663740 0.05477748 -0.01130656 0.00836041  0.01662261  176 LYS   A HD2   
1130 H HD3   . LYS   A 64  ? 0.21397069 0.20728859 0.05325999 -0.01217186 0.00715477  0.01668511  176 LYS   A HD3   
1131 H HE2   . LYS   A 64  ? 0.23654962 0.22526142 0.08041976 -0.01444404 0.00823762  0.02094299  176 LYS   A HE2   
1132 H HE3   . LYS   A 64  ? 0.23666123 0.22580238 0.07993542 -0.01505359 0.00786799  0.02105853  176 LYS   A HE3   
1133 H HZ1   . LYS   A 64  ? 0.25135967 0.24773058 0.10661034 -0.02094556 0.00588660  0.02130940  176 LYS   A HZ1   
1134 H HZ2   . LYS   A 64  ? 0.25038034 0.24662837 0.10950039 -0.01952132 0.00792745  0.02110777  176 LYS   A HZ2   
1135 H HZ3   . LYS   A 64  ? 0.25018886 0.24955764 0.10702107 -0.01993977 0.00685119  0.01896323  176 LYS   A HZ3   
1136 N N     . LEU   A 65  ? 0.15858559 0.16664460 0.01344920 0.00782526  -0.00328345 -0.00072881 177 LEU   A N     
1137 C CA    . LEU   A 65  ? 0.16591549 0.17045355 0.01115289 0.00709663  -0.00347045 -0.00093350 177 LEU   A CA    
1138 C C     . LEU   A 65  ? 0.17327259 0.17592907 0.00898882 0.01196443  -0.00632137 -0.00122979 177 LEU   A C     
1139 O O     . LEU   A 65  ? 0.17275020 0.17838645 0.01280942 0.01435754  -0.00671462 0.00027601  177 LEU   A O     
1140 C CB    . LEU   A 65  ? 0.16875044 0.17608699 0.02879463 0.00273516  -0.00541678 -0.00375648 177 LEU   A CB    
1141 C CG    . LEU   A 65  ? 0.17428772 0.17726749 0.03775668 -0.00106277 0.00145200  -0.00065075 177 LEU   A CG    
1142 C CD1   . LEU   A 65  ? 0.17704855 0.18254499 0.05587734 -0.00267391 0.00177432  0.00010992  177 LEU   A CD1   
1143 C CD2   . LEU   A 65  ? 0.17929533 0.17501186 0.03964540 -0.00095734 0.00223418  0.00462090  177 LEU   A CD2   
1144 H H     . LEU   A 65  ? 0.15933669 0.16674820 0.01240205 0.00755734  -0.00279004 0.00031209  177 LEU   A H     
1145 H HA    . LEU   A 65  ? 0.16602892 0.17135444 0.01409778 0.00734784  -0.00392551 -0.00121260 177 LEU   A HA    
1146 H HB2   . LEU   A 65  ? 0.16909222 0.17517275 0.02656595 0.00287571  -0.00396651 -0.00249666 177 LEU   A HB2   
1147 H HB3   . LEU   A 65  ? 0.16900910 0.17517197 0.02679135 0.00289737  -0.00395623 -0.00242514 177 LEU   A HB3   
1148 H HG    . LEU   A 65  ? 0.17446430 0.17727226 0.03861792 -0.00051364 0.00073198  -0.00082140 177 LEU   A HG    
1149 H HD11  . LEU   A 65  ? 0.17666531 0.18181504 0.05232752 -0.00247432 0.00186610  0.00007558  177 LEU   A HD11  
1150 H HD12  . LEU   A 65  ? 0.17644528 0.18201995 0.05408251 -0.00212394 0.00165385  -0.00070776 177 LEU   A HD12  
1151 H HD13  . LEU   A 65  ? 0.17643492 0.18218203 0.05319821 -0.00213601 0.00193622  0.00081381  177 LEU   A HD13  
1152 H HD21  . LEU   A 65  ? 0.17833969 0.17547239 0.03895813 -0.00071915 0.00199829  0.00356419  177 LEU   A HD21  
1153 H HD22  . LEU   A 65  ? 0.17821160 0.17572370 0.03961668 -0.00090231 0.00205717  0.00393434  177 LEU   A HD22  
1154 H HD23  . LEU   A 65  ? 0.17819983 0.17531779 0.03893285 -0.00095356 0.00212412  0.00385995  177 LEU   A HD23  
1155 N N     . ASP   A 66  ? 0.18017563 0.18239379 0.01030610 0.01538504  -0.00641433 -0.00199623 178 ASP   A N     
1156 C CA    . ASP   A 66  ? 0.19586605 0.19522169 0.01509310 0.01367904  -0.00804861 0.00548989  178 ASP   A CA    
1157 C C     . ASP   A 66  ? 0.20473737 0.19626051 0.02145666 0.01153322  -0.00648437 0.00968659  178 ASP   A C     
1158 O O     . ASP   A 66  ? 0.21694495 0.20368823 0.02659627 0.01004218  -0.01443728 0.01476743  178 ASP   A O     
1159 C CB    . ASP   A 66  ? 0.20320505 0.20578694 0.02261586 0.01342010  -0.01127933 -0.00002635 178 ASP   A CB    
1160 C CG    . ASP   A 66  ? 0.21494985 0.21031559 0.04513911 0.01404329  -0.01121325 0.00008228  178 ASP   A CG    
1161 O OD1   . ASP   A 66  ? 0.21545961 0.21996218 0.05155817 0.01296797  -0.00654319 0.00101222  178 ASP   A OD1   
1162 O OD2   . ASP   A 66  ? 0.23296767 0.22686151 0.09971363 0.00645502  -0.01660804 -0.00550789 178 ASP   A OD2   
1163 H H     . ASP   A 66  ? 0.18054315 0.18226638 0.01092697 0.01442900  -0.00657859 -0.00041373 178 ASP   A H     
1164 H HA    . ASP   A 66  ? 0.19539079 0.19448233 0.01680159 0.01350981  -0.00805328 0.00398631  178 ASP   A HA    
1165 H HB2   . ASP   A 66  ? 0.20344841 0.20414077 0.02452330 0.01371349  -0.01053845 0.00103834  178 ASP   A HB2   
1166 H HB3   . ASP   A 66  ? 0.20380798 0.20432954 0.02463723 0.01369038  -0.01056706 0.00113743  178 ASP   A HB3   
1167 N N     . ASN   A 67  ? 0.21115643 0.19713765 0.02407246 0.00674451  -0.00690609 0.01157064  179 ASN   A N     
1168 C CA    . ASN   A 67  ? 0.23265666 0.19789213 0.04108498 0.00811265  -0.00153834 0.01435655  179 ASN   A CA    
1169 C C     . ASN   A 67  ? 0.24135615 0.19605075 0.04247485 0.01090136  -0.00213020 0.00840825  179 ASN   A C     
1170 O O     . ASN   A 67  ? 0.27995598 0.20333999 0.10133817 0.00671697  0.00208067  0.00270923  179 ASN   A O     
1171 C CB    . ASN   A 67  ? 0.24203502 0.20109038 0.04907387 0.00651916  0.00237054  0.01760908  179 ASN   A CB    
1172 C CG    . ASN   A 67  ? 0.24405265 0.20525208 0.07825009 0.00814882  0.01002582  0.01661297  179 ASN   A CG    
1173 O OD1   . ASN   A 67  ? 0.25493318 0.19695994 0.08824435 0.01634081  0.01309604  0.01666209  179 ASN   A OD1   
1174 N ND2   . ASN   A 67  ? 0.24531725 0.21039705 0.10792109 0.00697930  0.01266437  0.02460954  179 ASN   A ND2   
1175 H H     . ASN   A 67  ? 0.21216977 0.19661139 0.02598416 0.00820867  -0.00593619 0.01179215  179 ASN   A H     
1176 H HA    . ASN   A 67  ? 0.23171811 0.19808428 0.04055178 0.00812324  -0.00123578 0.01365871  179 ASN   A HA    
1177 H HB2   . ASN   A 67  ? 0.24037975 0.20094888 0.05173631 0.00718202  0.00277191  0.01656657  179 ASN   A HB2   
1178 H HB3   . ASN   A 67  ? 0.24175064 0.20166311 0.05367642 0.00741870  0.00301536  0.01703734  179 ASN   A HB3   
1179 H HD21  . ASN   A 67  ? 0.24572361 0.20936394 0.10016165 0.00686500  0.01333784  0.02207433  179 ASN   A HD21  
1180 H HD22  . ASN   A 67  ? 0.24527815 0.20911726 0.09987622 0.00746864  0.01266817  0.02258378  179 ASN   A HD22  
1181 N N     . ASN   A 68  ? 0.23074135 0.19542354 0.03439837 0.01592792  -0.00377829 0.00363385  180 ASN   A N     
1182 C CA    . ASN   A 68  ? 0.23244061 0.20300826 0.03143845 0.02087446  -0.00824765 0.00560481  180 ASN   A CA    
1183 C C     . ASN   A 68  ? 0.21076655 0.18957184 0.02816279 0.01911567  -0.01069984 -0.00143557 180 ASN   A C     
1184 O O     . ASN   A 68  ? 0.20216836 0.18774883 0.01671500 0.01966262  -0.01102886 -0.00206202 180 ASN   A O     
1185 C CB    . ASN   A 68  ? 0.24601081 0.23109385 0.06432054 0.01883388  -0.01581646 -0.00013317 180 ASN   A CB    
1186 C CG    . ASN   A 68  ? 0.28113854 0.26447111 0.06748142 0.01882719  -0.02071832 0.00284998  180 ASN   A CG    
1187 O OD1   . ASN   A 68  ? 0.31687462 0.30709428 0.08774166 0.00985734  -0.02106293 -0.01791184 180 ASN   A OD1   
1188 N ND2   . ASN   A 68  ? 0.30510101 0.27145410 0.07071394 0.01937180  -0.02392429 0.01336799  180 ASN   A ND2   
1189 H H     . ASN   A 68  ? 0.23212333 0.19585052 0.03530916 0.01573560  -0.00429835 0.00495861  180 ASN   A H     
1190 H HA    . ASN   A 68  ? 0.23092076 0.20258000 0.03629721 0.01970927  -0.00901017 0.00368178  180 ASN   A HA    
1191 H HB2   . ASN   A 68  ? 0.24773887 0.23067153 0.05696149 0.01979194  -0.01464337 0.00182292  180 ASN   A HB2   
1192 H HB3   . ASN   A 68  ? 0.24806884 0.23007973 0.05713305 0.01960267  -0.01478758 0.00207380  180 ASN   A HB3   
1193 H HD21  . ASN   A 68  ? 0.29749545 0.26985651 0.07054389 0.01987530  -0.02224863 0.01254271  180 ASN   A HD21  
1194 H HD22  . ASN   A 68  ? 0.29890481 0.26995537 0.07043912 0.01961640  -0.02275397 0.01132002  180 ASN   A HD22  
1195 N N     . TRP   A 69  ? 0.19805476 0.18382052 0.02231617 0.01745822  -0.01244241 0.00259661  181 TRP   A N     
1196 C CA    . TRP   A 69  ? 0.19172551 0.18135130 0.02289150 0.01363858  -0.01150340 0.00252975  181 TRP   A CA    
1197 C C     . TRP   A 69  ? 0.18504155 0.18137969 0.02582924 0.01868682  -0.01433727 0.00403099  181 TRP   A C     
1198 O O     . TRP   A 69  ? 0.19261953 0.20224123 0.03901394 0.02480666  -0.01809047 0.01497827  181 TRP   A O     
1199 C CB    . TRP   A 69  ? 0.19406110 0.18062092 0.02169845 0.01009883  -0.00720055 0.00060988  181 TRP   A CB    
1200 C CG    . TRP   A 69  ? 0.19380082 0.18156981 0.01604592 0.00665350  -0.00362369 -0.00766469 181 TRP   A CG    
1201 C CD1   . TRP   A 69  ? 0.19839188 0.18578112 0.02143548 0.00326150  -0.00226725 -0.00600637 181 TRP   A CD1   
1202 C CD2   . TRP   A 69  ? 0.18992995 0.18342720 0.00889967 0.00401141  -0.00193532 -0.01167727 181 TRP   A CD2   
1203 N NE1   . TRP   A 69  ? 0.19721958 0.18855257 0.02597689 -0.00078083 0.00176708  -0.00906858 181 TRP   A NE1   
1204 C CE2   . TRP   A 69  ? 0.19320513 0.18785460 0.01826566 0.00219358  -0.00097279 -0.01334394 181 TRP   A CE2   
1205 C CE3   . TRP   A 69  ? 0.18866009 0.18489397 0.01600416 0.00246993  -0.00207960 -0.01044225 181 TRP   A CE3   
1206 C CZ2   . TRP   A 69  ? 0.18964815 0.18980956 0.01234538 0.00098769  0.00264141  -0.01415469 181 TRP   A CZ2   
1207 C CZ3   . TRP   A 69  ? 0.18862015 0.18527980 0.01264811 0.00229738  -0.00207892 -0.01080371 181 TRP   A CZ3   
1208 C CH2   . TRP   A 69  ? 0.18793955 0.18917038 0.00768531 0.00321949  0.00382019  -0.01515588 181 TRP   A CH2   
1209 H H     . TRP   A 69  ? 0.19950107 0.18379879 0.02375273 0.01697300  -0.01188562 0.00189365  181 TRP   A H     
1210 H HA    . TRP   A 69  ? 0.19202280 0.18165952 0.02310786 0.01433223  -0.01139307 0.00232721  181 TRP   A HA    
1211 H HB2   . TRP   A 69  ? 0.19357519 0.18054764 0.02099941 0.01021936  -0.00733604 -0.00043498 181 TRP   A HB2   
1212 H HB3   . TRP   A 69  ? 0.19357559 0.18072903 0.02148018 0.01012369  -0.00727674 -0.00052703 181 TRP   A HB3   
1213 H HD1   . TRP   A 69  ? 0.19725189 0.18521664 0.02115561 0.00334501  -0.00193337 -0.00673842 181 TRP   A HD1   
1214 H HE1   . TRP   A 69  ? 0.19625464 0.18758720 0.02332018 0.00042000  0.00067060  -0.00916613 181 TRP   A HE1   
1215 H HE3   . TRP   A 69  ? 0.18874821 0.18472445 0.01420013 0.00268645  -0.00201578 -0.01062809 181 TRP   A HE3   
1216 H HZ2   . TRP   A 69  ? 0.18966094 0.18923825 0.01270903 0.00146201  0.00217343  -0.01404002 181 TRP   A HZ2   
1217 H HZ3   . TRP   A 69  ? 0.18854176 0.18544240 0.01228874 0.00249235  -0.00096348 -0.01123411 181 TRP   A HZ3   
1218 H HH2   . TRP   A 69  ? 0.18850128 0.18862578 0.00967434 0.00269574  0.00268407  -0.01419309 181 TRP   A HH2   
1219 N N     . GLY   A 70  ? 0.17596331 0.17628361 0.01902286 0.01472976  -0.01249174 -0.00156689 182 GLY   A N     
1220 C CA    . GLY   A 70  ? 0.16919962 0.17450523 0.02476003 0.01297932  -0.01469511 -0.00283530 182 GLY   A CA    
1221 C C     . GLY   A 70  ? 0.16002670 0.17636955 0.02547933 0.01105879  -0.01469099 -0.00279336 182 GLY   A C     
1222 O O     . GLY   A 70  ? 0.15736179 0.17401376 0.02347832 0.01181166  -0.01298438 -0.00048262 182 GLY   A O     
1223 H H     . GLY   A 70  ? 0.17653576 0.17697936 0.02145403 0.01507345  -0.01318628 -0.00068012 182 GLY   A H     
1224 H HA2   . GLY   A 70  ? 0.16892834 0.17511420 0.02427525 0.01300973  -0.01427270 -0.00246590 182 GLY   A HA2   
1225 H HA3   . GLY   A 70  ? 0.16874999 0.17488873 0.02407904 0.01294690  -0.01426618 -0.00252670 182 GLY   A HA3   
1226 N N     . ARG   A 71  ? 0.15674628 0.17857438 0.03265372 0.01001307  -0.01366506 -0.00328490 183 ARG   A N     
1227 C CA    . ARG   A 71  ? 0.15640649 0.18121994 0.03587977 0.00978049  -0.01068259 -0.00302468 183 ARG   A CA    
1228 C C     . ARG   A 71  ? 0.15240687 0.17202145 0.03008112 0.01011793  -0.00629607 -0.00288338 183 ARG   A C     
1229 O O     . ARG   A 71  ? 0.15656888 0.17094965 0.02801002 0.01259217  -0.00064576 -0.00278099 183 ARG   A O     
1230 C CB    . ARG   A 71  ? 0.16393450 0.19513285 0.05763998 0.00540061  -0.00805431 -0.00093146 183 ARG   A CB    
1231 C CG    . ARG   A 71  ? 0.17269906 0.21229586 0.07255236 0.00688759  -0.00026720 -0.00272437 183 ARG   A CG    
1232 C CD    . ARG   A 71  ? 0.18549401 0.22285122 0.08045956 0.01094164  -0.00159991 0.00003972  183 ARG   A CD    
1233 N NE    . ARG   A 71  ? 0.19529076 0.24619973 0.10393916 0.01129951  -0.01812577 -0.00927252 183 ARG   A NE    
1234 C CZ    . ARG   A 71  ? 0.21147509 0.26504874 0.10857255 0.01764347  -0.02479609 -0.00275258 183 ARG   A CZ    
1235 N NH1   . ARG   A 71  ? 0.22381064 0.28309691 0.12263066 0.01959099  -0.03658869 -0.00700013 183 ARG   A NH1   
1236 N NH2   . ARG   A 71  ? 0.21103421 0.26398125 0.10710318 0.02179628  -0.02538912 0.00662198  183 ARG   A NH2   
1237 H H     . ARG   A 71  ? 0.15758148 0.17851499 0.03200744 0.01016267  -0.01323796 -0.00312077 183 ARG   A H     
1238 H HA    . ARG   A 71  ? 0.15681867 0.18091519 0.03738256 0.00939811  -0.01011660 -0.00267531 183 ARG   A HA    
1239 H HB2   . ARG   A 71  ? 0.16380732 0.19473639 0.05571562 0.00666034  -0.00686407 -0.00168596 183 ARG   A HB2   
1240 H HB3   . ARG   A 71  ? 0.16359188 0.19481349 0.05502803 0.00650899  -0.00707865 -0.00179261 183 ARG   A HB3   
1241 H HG2   . ARG   A 71  ? 0.17292485 0.21018276 0.07124808 0.00736989  -0.00184311 -0.00183399 183 ARG   A HG2   
1242 H HG3   . ARG   A 71  ? 0.17320687 0.20991328 0.07211783 0.00739311  -0.00108383 -0.00170269 183 ARG   A HG3   
1243 H HD2   . ARG   A 71  ? 0.18397619 0.22457579 0.08132346 0.01065364  -0.00311609 -0.00208096 183 ARG   A HD2   
1244 H HD3   . ARG   A 71  ? 0.18439600 0.22433162 0.08180334 0.01054761  -0.00406358 -0.00172307 183 ARG   A HD3   
1245 H HE    . ARG   A 71  ? 0.19581269 0.24425220 0.10039647 0.01215016  -0.01595368 -0.00620109 183 ARG   A HE    
1246 H HH11  . ARG   A 71  ? 0.22069234 0.27963832 0.12147439 0.01987009  -0.03374905 -0.00744158 183 ARG   A HH11  
1247 H HH12  . ARG   A 71  ? 0.22128126 0.27925605 0.11931599 0.02045416  -0.03329938 -0.00613941 183 ARG   A HH12  
1248 H HH21  . ARG   A 71  ? 0.21109322 0.26352236 0.10639472 0.02080752  -0.02497439 0.00516731  183 ARG   A HH21  
1249 H HH22  . ARG   A 71  ? 0.21039715 0.26244366 0.10653342 0.02068059  -0.02427882 0.00458933  183 ARG   A HH22  
1250 N N     . GLU   A 72  ? 0.14721565 0.16826813 0.02714653 0.01062114  -0.00341333 -0.00165389 184 GLU   A N     
1251 C CA    . GLU   A 72  ? 0.14458728 0.17056768 0.02905390 0.00865120  -0.00178367 -0.00382005 184 GLU   A CA    
1252 C C     . GLU   A 72  ? 0.14258604 0.17501514 0.03392885 0.00946337  0.00531434  -0.00570580 184 GLU   A C     
1253 O O     . GLU   A 72  ? 0.14587225 0.19288661 0.04891597 0.01236229  0.00746168  -0.00507476 184 GLU   A O     
1254 C CB    . GLU   A 72  ? 0.14961047 0.16844055 0.03177189 0.00872942  -0.00308506 -0.00230540 184 GLU   A CB    
1255 C CG    . GLU   A 72  ? 0.15177818 0.16748908 0.03328096 0.00893747  -0.00184497 -0.00286939 184 GLU   A CG    
1256 C CD    . GLU   A 72  ? 0.15688406 0.16552031 0.03983494 0.01166119  -0.00396351 -0.00175623 184 GLU   A CD    
1257 O OE1   . GLU   A 72  ? 0.16949889 0.17051528 0.05016953 0.01150671  0.00547720  -0.00313731 184 GLU   A OE1   
1258 O OE2   . GLU   A 72  ? 0.16223833 0.15914512 0.03879668 0.01083889  -0.00471609 -0.00205177 184 GLU   A OE2   
1259 H H     . GLU   A 72  ? 0.14776869 0.16889414 0.02856045 0.01053754  -0.00394098 -0.00197721 184 GLU   A H     
1260 H HA    . GLU   A 72  ? 0.14531228 0.17060713 0.02981964 0.00909767  -0.00099319 -0.00364685 184 GLU   A HA    
1261 H HB2   . GLU   A 72  ? 0.14963445 0.16910423 0.03257512 0.00886308  -0.00251781 -0.00268103 184 GLU   A HB2   
1262 H HB3   . GLU   A 72  ? 0.14900877 0.16863881 0.03180747 0.00873260  -0.00278124 -0.00266606 184 GLU   A HB3   
1263 H HG2   . GLU   A 72  ? 0.15222239 0.16731000 0.03424207 0.00930595  -0.00249334 -0.00262909 184 GLU   A HG2   
1264 H HG3   . GLU   A 72  ? 0.15219700 0.16743721 0.03409138 0.00927157  -0.00278012 -0.00271337 184 GLU   A HG3   
1265 N N     . GLU   A 73  ? 0.14083835 0.17652881 0.02577524 0.00859183  0.00963051  -0.00759009 185 GLU   A N     
1266 C CA    . GLU   A 73  ? 0.14605980 0.17830081 0.02735807 0.00602147  0.00995892  -0.00662149 185 GLU   A CA    
1267 C C     . GLU   A 73  ? 0.14841232 0.18593143 0.03872599 0.00388365  0.01154292  -0.01614308 185 GLU   A C     
1268 O O     . GLU   A 73  ? 0.14604095 0.19724108 0.04183828 0.00418328  0.01457654  -0.02884384 185 GLU   A O     
1269 C CB    . GLU   A 73  ? 0.15192984 0.17790037 0.03467224 0.00752913  0.01023188  -0.00400019 185 GLU   A CB    
1270 C CG    . GLU   A 73  ? 0.16106172 0.17763785 0.04732151 0.00685252  0.00839444  -0.00370035 185 GLU   A CG    
1271 C CD    . GLU   A 73  ? 0.16907458 0.17976888 0.05886268 0.00709739  0.00775418  0.00456001  185 GLU   A CD    
1272 O OE1   . GLU   A 73  ? 0.18801589 0.17752950 0.06432930 0.00846162  0.00143093  0.00856467  185 GLU   A OE1   
1273 O OE2   . GLU   A 73  ? 0.18251517 0.17644627 0.05783429 0.01159685  0.01068686  0.00956496  185 GLU   A OE2   
1274 H H     . GLU   A 73  ? 0.14106570 0.17655824 0.02777833 0.00853675  0.00913508  -0.00703288 185 GLU   A H     
1275 H HA    . GLU   A 73  ? 0.14622356 0.17913568 0.03025645 0.00633549  0.01002316  -0.00783244 185 GLU   A HA    
1276 H HB2   . GLU   A 73  ? 0.15190694 0.17789146 0.03534414 0.00718202  0.00996466  -0.00424956 185 GLU   A HB2   
1277 H HB3   . GLU   A 73  ? 0.15214325 0.17784631 0.03485046 0.00713056  0.01013902  -0.00395109 185 GLU   A HB3   
1278 H HG2   . GLU   A 73  ? 0.16086240 0.17800695 0.04704691 0.00708222  0.00867016  -0.00241748 185 GLU   A HG2   
1279 H HG3   . GLU   A 73  ? 0.16069055 0.17800541 0.04781176 0.00715321  0.00863474  -0.00248395 185 GLU   A HG3   
1280 N N     . ARG   A 74  ? 0.15777545 0.19232915 0.04188519 0.00334132  0.01465827  -0.02060076 186 ARG   A N     
1281 C CA    . ARG   A 74  ? 0.17407075 0.20205203 0.05310047 0.00116358  0.01224239  -0.02659328 186 ARG   A CA    
1282 C C     . ARG   A 74  ? 0.19506016 0.21871425 0.05595145 -0.00389339 0.02111229  -0.02437642 186 ARG   A C     
1283 O O     . ARG   A 74  ? 0.20678245 0.23761702 0.06851337 -0.01683488 0.02829411  -0.02666671 186 ARG   A O     
1284 C CB    . ARG   A 74  ? 0.18082759 0.20186333 0.05819823 0.00669025  0.01536369  -0.02954821 186 ARG   A CB    
1285 C CG    . ARG   A 74  ? 0.18729766 0.20045836 0.05757302 0.00797959  0.01029622  -0.02692828 186 ARG   A CG    
1286 C CD    . ARG   A 74  ? 0.19254106 0.20151487 0.05678470 0.00993068  0.00515734  -0.02523418 186 ARG   A CD    
1287 N NE    . ARG   A 74  ? 0.19583839 0.19899446 0.05758303 0.01217239  0.00513000  -0.02414957 186 ARG   A NE    
1288 C CZ    . ARG   A 74  ? 0.19895948 0.19494340 0.06091445 0.01621152  0.00392260  -0.02463382 186 ARG   A CZ    
1289 N NH1   . ARG   A 74  ? 0.20507443 0.20337534 0.06358216 0.01421759  0.00594639  -0.02876448 186 ARG   A NH1   
1290 N NH2   . ARG   A 74  ? 0.19873695 0.19446290 0.05843006 0.01673210  0.00012575  -0.02172538 186 ARG   A NH2   
1291 H H     . ARG   A 74  ? 0.15784368 0.19223276 0.04297051 0.00304438  0.01358490  -0.02036093 186 ARG   A H     
1292 H HA    . ARG   A 74  ? 0.17470059 0.20230150 0.05199264 0.00175218  0.01409083  -0.02547824 186 ARG   A HA    
1293 H HB2   . ARG   A 74  ? 0.18080761 0.20163350 0.05713291 0.00606650  0.01409833  -0.02851843 186 ARG   A HB2   
1294 H HB3   . ARG   A 74  ? 0.18069015 0.20171671 0.05723157 0.00600730  0.01416294  -0.02848550 186 ARG   A HB3   
1295 H HG2   . ARG   A 74  ? 0.18689817 0.20051268 0.05749542 0.00816131  0.01018314  -0.02689488 186 ARG   A HG2   
1296 H HG3   . ARG   A 74  ? 0.18680681 0.20066211 0.05752172 0.00805625  0.01027586  -0.02700575 186 ARG   A HG3   
1297 H HD2   . ARG   A 74  ? 0.19216660 0.20085604 0.05720916 0.00996710  0.00601045  -0.02531927 186 ARG   A HD2   
1298 H HD3   . ARG   A 74  ? 0.19258755 0.20124161 0.05765868 0.00999645  0.00598565  -0.02527530 186 ARG   A HD3   
1299 H HE    . ARG   A 74  ? 0.19580278 0.19861268 0.05811081 0.01251426  0.00475873  -0.02461314 186 ARG   A HE    
1300 H HH11  . ARG   A 74  ? 0.20370325 0.20173770 0.06295409 0.01504324  0.00538769  -0.02762626 186 ARG   A HH11  
1301 H HH12  . ARG   A 74  ? 0.20344698 0.20157889 0.06354067 0.01480196  0.00522587  -0.02791907 186 ARG   A HH12  
1302 H HH21  . ARG   A 74  ? 0.19898194 0.19464931 0.05918037 0.01659928  0.00106552  -0.02268112 186 ARG   A HH21  
1303 H HH22  . ARG   A 74  ? 0.19874701 0.19459224 0.05930752 0.01650665  0.00110301  -0.02268423 186 ARG   A HH22  
1304 N N     . GLN   A 75  ? 0.21026643 0.22725882 0.05603725 -0.00930915 0.02135551  -0.02883291 187 GLN   A N     
1305 C CA    . GLN   A 75  ? 0.22967616 0.23205426 0.06176338 -0.00969081 0.01966403  -0.01862565 187 GLN   A CA    
1306 C C     . GLN   A 75  ? 0.23410127 0.23040524 0.05559292 -0.01255015 0.02810629  -0.01451220 187 GLN   A C     
1307 O O     . GLN   A 75  ? 0.24639833 0.23189655 0.06147258 -0.01821581 0.03910378  -0.01799500 187 GLN   A O     
1308 C CB    . GLN   A 75  ? 0.23817226 0.23822492 0.09030651 -0.00608049 0.02115344  -0.01540973 187 GLN   A CB    
1309 C CG    . GLN   A 75  ? 0.25808966 0.24931601 0.10920757 -0.00152732 0.01092062  -0.01019859 187 GLN   A CG    
1310 C CD    . GLN   A 75  ? 0.26676226 0.25568712 0.14954907 -0.00721760 0.02345330  -0.00276005 187 GLN   A CD    
1311 O OE1   . GLN   A 75  ? 0.26996428 0.26353681 0.19584754 -0.00016982 0.03137068  0.01107089  187 GLN   A OE1   
1312 N NE2   . GLN   A 75  ? 0.28929010 0.26862985 0.18275917 -0.00061532 0.02458585  0.00627428  187 GLN   A NE2   
1313 H H     . GLN   A 75  ? 0.20986885 0.22608389 0.05691817 -0.00796892 0.02090702  -0.02615724 187 GLN   A H     
1314 H HA    . GLN   A 75  ? 0.22852650 0.23153824 0.06398816 -0.00915109 0.02089322  -0.01936070 187 GLN   A HA    
1315 H HB2   . GLN   A 75  ? 0.23898849 0.23862576 0.08698179 -0.00605533 0.01919269  -0.01508335 187 GLN   A HB2   
1316 H HB3   . GLN   A 75  ? 0.23807633 0.23797250 0.08646502 -0.00599498 0.01920691  -0.01512427 187 GLN   A HB3   
1317 H HG2   . GLN   A 75  ? 0.25581348 0.24844334 0.11202749 -0.00302931 0.01547812  -0.00944639 187 GLN   A HG2   
1318 H HG3   . GLN   A 75  ? 0.25530052 0.24816096 0.11100268 -0.00274386 0.01556413  -0.00943896 187 GLN   A HG3   
1319 H HE21  . GLN   A 75  ? 0.28490442 0.26613191 0.17353584 -0.00297337 0.02321339  0.00495416  187 GLN   A HE21  
1320 H HE22  . GLN   A 75  ? 0.28567886 0.26576528 0.17609815 -0.00127891 0.02224273  0.00389806  187 GLN   A HE22  
1321 N N     . SER   A 76  ? 0.22492792 0.23083380 0.05301090 -0.00382796 0.02520343  -0.00360927 188 SER   A N     
1322 C CA    . SER   A 76  ? 0.22431833 0.22527909 0.05080205 0.00514591  0.02111150  -0.00187571 188 SER   A CA    
1323 C C     . SER   A 76  ? 0.21928370 0.21392387 0.05147928 0.00884458  0.02408781  0.00172265  188 SER   A C     
1324 O O     . SER   A 76  ? 0.22724956 0.21227551 0.07357623 0.01140010  0.02367365  -0.00765501 188 SER   A O     
1325 C CB    . SER   A 76  ? 0.22939634 0.23163718 0.05284059 0.00987085  0.01759947  -0.00373852 188 SER   A CB    
1326 O OG    . SER   A 76  ? 0.24506718 0.24523008 0.06148640 0.00948834  0.00298526  -0.00496867 188 SER   A OG    
1327 H H     . SER   A 76  ? 0.22565538 0.22968276 0.05356970 -0.00407994 0.02517019  -0.00544505 188 SER   A H     
1328 H HA    . SER   A 76  ? 0.22448656 0.22533622 0.05181259 0.00489876  0.02180619  -0.00195047 188 SER   A HA    
1329 H HB2   . SER   A 76  ? 0.23084944 0.23244369 0.05384143 0.00868623  0.01616879  -0.00328556 188 SER   A HB2   
1330 H HB3   . SER   A 76  ? 0.23109475 0.23258296 0.05402163 0.00895423  0.01590096  -0.00360911 188 SER   A HB3   
1331 H HG    . SER   A 76  ? 0.19782959 0.19782959 0.19782959 0.00000000  0.00000000  0.00000000  188 SER   A HG    
1332 N N     . VAL   A 77  ? 0.21270776 0.21035293 0.05005572 0.00959352  0.01996973  0.00410016  189 VAL   A N     
1333 C CA    . VAL   A 77  ? 0.20970502 0.20886993 0.04888831 0.01050598  0.02253166  0.00671640  189 VAL   A CA    
1334 C C     . VAL   A 77  ? 0.20327336 0.19026311 0.04047467 0.01397087  0.02087423  0.00113200  189 VAL   A C     
1335 O O     . VAL   A 77  ? 0.21281809 0.18887912 0.04876616 0.01353483  0.02395632  -0.00538686 189 VAL   A O     
1336 C CB    . VAL   A 77  ? 0.22776294 0.21929240 0.06442019 0.00625996  0.02542853  0.01458890  189 VAL   A CB    
1337 C CG1   . VAL   A 77  ? 0.23207884 0.22559297 0.06791256 0.00581539  0.02410267  0.02040289  189 VAL   A CG1   
1338 C CG2   . VAL   A 77  ? 0.23309678 0.23235197 0.08158998 0.00466077  0.03030766  0.02208492  189 VAL   A CG2   
1339 H H     . VAL   A 77  ? 0.21359715 0.21074082 0.05076608 0.00914302  0.02123086  0.00400700  189 VAL   A H     
1340 H HA    . VAL   A 77  ? 0.21100143 0.20730546 0.04981131 0.01059674  0.02224746  0.00662224  189 VAL   A HA    
1341 H HB    . VAL   A 77  ? 0.22599928 0.21957156 0.06444652 0.00675756  0.02553402  0.01481539  189 VAL   A HB    
1342 H HG11  . VAL   A 77  ? 0.23120135 0.22467792 0.06801102 0.00608190  0.02443965  0.01978896  189 VAL   A HG11  
1343 H HG12  . VAL   A 77  ? 0.23152679 0.22403933 0.06745714 0.00604107  0.02404431  0.01916258  189 VAL   A HG12  
1344 H HG13  . VAL   A 77  ? 0.23119466 0.22440428 0.06740686 0.00603269  0.02434181  0.01917959  189 VAL   A HG13  
1345 H HG21  . VAL   A 77  ? 0.23193818 0.23045768 0.07790866 0.00512031  0.02946647  0.02040203  189 VAL   A HG21  
1346 H HG22  . VAL   A 77  ? 0.23259825 0.22954573 0.07800485 0.00489759  0.03007666  0.02038804  189 VAL   A HG22  
1347 H HG23  . VAL   A 77  ? 0.23192972 0.23077747 0.07928460 0.00509446  0.02953451  0.02197886  189 VAL   A HG23  
1348 N N     . PHE   A 78  ? 0.19779778 0.18300205 0.04013408 0.01619269  0.01535391  0.00311747  190 PHE   A N     
1349 C CA    . PHE   A 78  ? 0.18899459 0.17480168 0.03955225 0.01556724  0.00607361  -0.00026202 190 PHE   A CA    
1350 C C     . PHE   A 78  ? 0.19664298 0.17859188 0.04254254 0.01384494  -0.00184146 -0.00014594 190 PHE   A C     
1351 O O     . PHE   A 78  ? 0.21511544 0.18900518 0.04552796 0.01682872  -0.01035323 -0.00533751 190 PHE   A O     
1352 C CB    . PHE   A 78  ? 0.17878957 0.17011824 0.03592208 0.01576766  0.00447570  -0.00078208 190 PHE   A CB    
1353 C CG    . PHE   A 78  ? 0.17337567 0.16170298 0.03152394 0.01691754  0.00287667  -0.00246761 190 PHE   A CG    
1354 C CD1   . PHE   A 78  ? 0.17222098 0.15978438 0.03268043 0.01861569  0.00177112  -0.00212447 190 PHE   A CD1   
1355 C CD2   . PHE   A 78  ? 0.17022933 0.15919715 0.03136550 0.01618909  0.00261645  -0.00141522 190 PHE   A CD2   
1356 C CE1   . PHE   A 78  ? 0.16864446 0.15726371 0.03206103 0.01687126  -0.00044024 -0.00194141 190 PHE   A CE1   
1357 C CE2   . PHE   A 78  ? 0.16772413 0.15619355 0.03101251 0.01687417  0.00229834  -0.00111918 190 PHE   A CE2   
1358 C CZ    . PHE   A 78  ? 0.16805449 0.15660983 0.03084577 0.01642022  0.00094554  0.00136595  190 PHE   A CZ    
1359 H H     . PHE   A 78  ? 0.19731940 0.18281201 0.04069899 0.01554106  0.01473329  0.00195791  190 PHE   A H     
1360 H HA    . PHE   A 78  ? 0.18974087 0.17558157 0.03953013 0.01553965  0.00615609  -0.00025319 190 PHE   A HA    
1361 H HB2   . PHE   A 78  ? 0.17912963 0.16912819 0.03601087 0.01594090  0.00438593  -0.00095520 190 PHE   A HB2   
1362 H HB3   . PHE   A 78  ? 0.17947342 0.16930722 0.03635495 0.01593055  0.00437430  -0.00084533 190 PHE   A HB3   
1363 H HD1   . PHE   A 78  ? 0.17195866 0.15994021 0.03295448 0.01801243  0.00130296  -0.00224933 190 PHE   A HD1   
1364 H HD2   . PHE   A 78  ? 0.17024757 0.15909103 0.03134281 0.01635814  0.00257321  -0.00155721 190 PHE   A HD2   
1365 H HE1   . PHE   A 78  ? 0.16874428 0.15756750 0.03214239 0.01688544  0.00007124  -0.00147396 190 PHE   A HE1   
1366 H HE2   . PHE   A 78  ? 0.16818973 0.15679935 0.03111879 0.01669891  0.00201637  -0.00091167 190 PHE   A HE2   
1367 H HZ    . PHE   A 78  ? 0.16794857 0.15667471 0.03107068 0.01646508  0.00114418  0.00042285  190 PHE   A HZ    
1368 N N     . PRO   A 79  ? 0.19200642 0.17795874 0.05406343 0.00970281  -0.00590593 0.00102629  191 PRO   A N     
1369 C CA    . PRO   A 79  ? 0.19779852 0.18291301 0.05709561 0.00977109  -0.01075855 0.00676201  191 PRO   A CA    
1370 C C     . PRO   A 79  ? 0.19726494 0.18171352 0.05436933 0.00761150  -0.01436736 0.00802255  191 PRO   A C     
1371 O O     . PRO   A 79  ? 0.21120057 0.21927343 0.08474198 0.00317376  -0.03128339 0.01714576  191 PRO   A O     
1372 C CB    . PRO   A 79  ? 0.20447290 0.18352328 0.07395326 0.01047606  -0.00864979 0.01005954  191 PRO   A CB    
1373 C CG    . PRO   A 79  ? 0.20456579 0.18296506 0.07698683 0.01106087  -0.01032976 0.00524136  191 PRO   A CG    
1374 C CD    . PRO   A 79  ? 0.19982956 0.18054068 0.06269175 0.01032367  -0.00547845 -0.00023757 191 PRO   A CD    
1375 H HA    . PRO   A 79  ? 0.19765334 0.18206781 0.05812703 0.00969271  -0.00995432 0.00638849  191 PRO   A HA    
1376 H HB2   . PRO   A 79  ? 0.20392464 0.18348828 0.07128478 0.01039179  -0.00909086 0.00884520  191 PRO   A HB2   
1377 H HB3   . PRO   A 79  ? 0.20405844 0.18371060 0.07166081 0.01064532  -0.00890619 0.00893556  191 PRO   A HB3   
1378 H HG2   . PRO   A 79  ? 0.20448944 0.18240380 0.07409146 0.01093358  -0.00983818 0.00492380  191 PRO   A HG2   
1379 H HG3   . PRO   A 79  ? 0.20391615 0.18271090 0.07394379 0.01097713  -0.00932435 0.00510438  191 PRO   A HG3   
1380 H HD2   . PRO   A 79  ? 0.19897029 0.18037680 0.06321470 0.01053254  -0.00602381 0.00081720  191 PRO   A HD2   
1381 H HD3   . PRO   A 79  ? 0.19907939 0.18044969 0.06309873 0.01055659  -0.00599836 0.00076054  191 PRO   A HD3   
1382 N N     . PHE   A 80  ? 0.18377195 0.17143950 0.04916329 0.00924038  -0.00975915 0.00038642  192 PHE   A N     
1383 C CA    . PHE   A 80  ? 0.17694330 0.16389483 0.04603012 0.01168548  -0.01444339 -0.00012594 192 PHE   A CA    
1384 C C     . PHE   A 80  ? 0.17611954 0.16814928 0.05283943 0.01234563  -0.01687098 -0.00640366 192 PHE   A C     
1385 O O     . PHE   A 80  ? 0.18026978 0.17867628 0.07690726 0.01530166  -0.01942176 -0.01636069 192 PHE   A O     
1386 C CB    . PHE   A 80  ? 0.17425047 0.16020374 0.04620370 0.01114009  -0.01348070 0.00186872  192 PHE   A CB    
1387 C CG    . PHE   A 80  ? 0.16768652 0.15789151 0.03385645 0.01011840  -0.01138633 0.00391040  192 PHE   A CG    
1388 C CD1   . PHE   A 80  ? 0.16623320 0.15895858 0.03850975 0.00964133  -0.01234238 0.00415943  192 PHE   A CD1   
1389 C CD2   . PHE   A 80  ? 0.16350591 0.15759495 0.04332316 0.01115081  -0.00943939 0.00187351  192 PHE   A CD2   
1390 C CE1   . PHE   A 80  ? 0.16545850 0.15958986 0.03725289 0.01096836  -0.00916560 0.00398678  192 PHE   A CE1   
1391 C CE2   . PHE   A 80  ? 0.16665106 0.15764643 0.04144146 0.00827149  -0.00837668 0.00090357  192 PHE   A CE2   
1392 C CZ    . PHE   A 80  ? 0.16526029 0.15564492 0.03469152 0.00814303  -0.00754719 0.00355248  192 PHE   A CZ    
1393 H H     . PHE   A 80  ? 0.18515751 0.17174600 0.04965937 0.00942133  -0.01087070 0.00166915  192 PHE   A H     
1394 H HA    . PHE   A 80  ? 0.17696960 0.16497132 0.04792933 0.01175992  -0.01434863 -0.00044728 192 PHE   A HA    
1395 H HB2   . PHE   A 80  ? 0.17357838 0.16041204 0.04376617 0.01097727  -0.01307106 0.00185335  192 PHE   A HB2   
1396 H HB3   . PHE   A 80  ? 0.17368910 0.16040975 0.04378116 0.01117337  -0.01324334 0.00189621  192 PHE   A HB3   
1397 H HD1   . PHE   A 80  ? 0.16601554 0.15876673 0.03778850 0.00989601  -0.01165816 0.00406176  192 PHE   A HD1   
1398 H HD2   . PHE   A 80  ? 0.16427514 0.15745679 0.04143994 0.01094173  -0.00960522 0.00212797  192 PHE   A HD2   
1399 H HE1   . PHE   A 80  ? 0.16536437 0.15864414 0.03709991 0.01038882  -0.00949321 0.00384145  192 PHE   A HE1   
1400 H HE2   . PHE   A 80  ? 0.16594705 0.15732938 0.04055380 0.00886197  -0.00836702 0.00167587  192 PHE   A HE2   
1401 H HZ    . PHE   A 80  ? 0.16560879 0.15616171 0.03648572 0.00862150  -0.00794654 0.00307759  192 PHE   A HZ    
1402 N N     . GLU   A 81  ? 0.17386125 0.17212477 0.04730632 0.01595698  -0.01656712 -0.01038766 193 GLU   A N     
1403 C CA    . GLU   A 81  ? 0.17950118 0.17790133 0.04075937 0.01406711  -0.01874990 -0.01247509 193 GLU   A CA    
1404 C C     . GLU   A 81  ? 0.18401879 0.17559010 0.04247702 0.01343592  -0.01557140 -0.00952522 193 GLU   A C     
1405 O O     . GLU   A 81  ? 0.18490574 0.17549503 0.04144804 0.01384640  -0.01222955 -0.01358814 193 GLU   A O     
1406 C CB    . GLU   A 81  ? 0.18048348 0.18796623 0.04122191 0.01572540  -0.02039742 -0.01227718 193 GLU   A CB    
1407 C CG    . GLU   A 81  ? 0.18945603 0.20322964 0.06162203 0.01529825  -0.01402352 -0.00749621 193 GLU   A CG    
1408 C CD    . GLU   A 81  ? 0.19865090 0.21856275 0.07769031 0.02074327  -0.01208615 -0.01114706 193 GLU   A CD    
1409 O OE1   . GLU   A 81  ? 0.20754594 0.24067928 0.10749152 0.01349553  -0.01283303 -0.01215051 193 GLU   A OE1   
1410 O OE2   . GLU   A 81  ? 0.21479717 0.22166936 0.08288720 0.02235493  -0.01477908 -0.01427511 193 GLU   A OE2   
1411 H H     . GLU   A 81  ? 0.17471755 0.17185688 0.04726313 0.01547825  -0.01684133 -0.00988645 193 GLU   A H     
1412 H HA    . GLU   A 81  ? 0.17967883 0.17818543 0.04259890 0.01448762  -0.01808179 -0.01159179 193 GLU   A HA    
1413 H HB2   . GLU   A 81  ? 0.18087749 0.18763137 0.04427588 0.01561357  -0.01897096 -0.01150101 193 GLU   A HB2   
1414 H HB3   . GLU   A 81  ? 0.18137723 0.18773673 0.04459394 0.01535788  -0.01900256 -0.01171419 193 GLU   A HB3   
1415 H HG2   . GLU   A 81  ? 0.18889441 0.20240170 0.05995989 0.01658069  -0.01467596 -0.00856436 193 GLU   A HG2   
1416 H HG3   . GLU   A 81  ? 0.18901274 0.20215867 0.06143877 0.01640172  -0.01444859 -0.00885503 193 GLU   A HG3   
1417 N N     A SER   A 82  ? 0.18980347 0.17843878 0.04960360 0.01523127  -0.01518694 -0.00496988 194 SER   A N     
1418 N N     B SER   A 82  ? 0.18746071 0.17781651 0.05041569 0.01367890  -0.01344797 -0.00557329 194 SER   A N     
1419 C CA    A SER   A 82  ? 0.19770864 0.18132201 0.04965557 0.01223305  -0.01286011 -0.00312313 194 SER   A CA    
1420 C CA    B SER   A 82  ? 0.19422302 0.18086800 0.05128137 0.01000281  -0.01032778 -0.00451396 194 SER   A CA    
1421 C C     A SER   A 82  ? 0.19455576 0.17499490 0.03765683 0.00898556  -0.00867059 -0.00584018 194 SER   A C     
1422 C C     B SER   A 82  ? 0.19308805 0.17441247 0.03893323 0.00755309  -0.00757537 -0.00629655 194 SER   A C     
1423 O O     A SER   A 82  ? 0.20711929 0.18190511 0.03948929 0.00398247  -0.00604862 -0.01050359 194 SER   A O     
1424 O O     B SER   A 82  ? 0.20508617 0.18054642 0.04038372 0.00296191  -0.00514793 -0.01057845 194 SER   A O     
1425 C CB    A SER   A 82  ? 0.20953283 0.18733789 0.06263535 0.01388659  -0.01450561 0.00359236  194 SER   A CB    
1426 C CB    B SER   A 82  ? 0.20224997 0.18655746 0.06582563 0.00980955  -0.01056654 0.00223607  194 SER   A CB    
1427 O OG    A SER   A 82  ? 0.22225910 0.19692600 0.07411615 0.01679521  -0.02386876 0.00745834  194 SER   A OG    
1428 O OG    B SER   A 82  ? 0.21114919 0.19311067 0.07383243 0.00818397  -0.01121241 -0.00253942 194 SER   A OG    
1429 H H     A SER   A 82  ? 0.18954448 0.17819937 0.04834712 0.01462187  -0.01494587 -0.00553701 194 SER   A H     
1430 H H     B SER   A 82  ? 0.18745968 0.17770487 0.04913107 0.01330026  -0.01340063 -0.00615805 194 SER   A H     
1431 H HA    A SER   A 82  ? 0.19702426 0.18043083 0.04963706 0.01222957  -0.01240535 -0.00286449 194 SER   A HA    
1432 H HA    B SER   A 82  ? 0.19367279 0.17987865 0.05113711 0.01006904  -0.01006991 -0.00410210 194 SER   A HA    
1433 H HB2   A SER   A 82  ? 0.20917980 0.18768884 0.06224545 0.01415139  -0.01561774 0.00323519  194 SER   A HB2   
1434 H HB2   B SER   A 82  ? 0.20216714 0.18638149 0.06439392 0.00968701  -0.01046167 0.00037544  194 SER   A HB2   
1435 H HB3   A SER   A 82  ? 0.20899054 0.18759951 0.06204272 0.01404756  -0.01549833 0.00323156  194 SER   A HB3   
1436 H HB3   B SER   A 82  ? 0.20232730 0.18639897 0.06445181 0.00971359  -0.01046120 0.00034343  194 SER   A HB3   
1437 H HG    A SER   A 82  ? 0.20076792 0.20076792 0.20076792 0.00000000  0.00000000  0.00000000  194 SER   A HG    
1438 H HG    B SER   A 82  ? 0.18867271 0.18867271 0.18867271 0.00000000  0.00000000  0.00000000  194 SER   A HG    
1439 N N     . GLY   A 83  ? 0.18841915 0.16676962 0.03274748 0.00565572  -0.00807977 -0.00468067 195 GLY   A N     
1440 C CA    . GLY   A 83  ? 0.17934850 0.16342977 0.02938800 0.00410190  -0.00132730 -0.00458400 195 GLY   A CA    
1441 C C     . GLY   A 83  ? 0.16839719 0.16022280 0.02409698 0.00240254  0.00088890  -0.00631317 195 GLY   A C     
1442 O O     . GLY   A 83  ? 0.17141005 0.18101206 0.03532161 -0.00300951 -0.00188914 0.00907957  195 GLY   A O     
1443 H H     . GLY   A 83  ? 0.18869641 0.16845112 0.03322555 0.00630238  -0.00711222 -0.00556162 195 GLY   A H     
1444 H HA2   . GLY   A 83  ? 0.17869163 0.16344158 0.02909257 0.00390157  -0.00195178 -0.00488750 195 GLY   A HA2   
1445 H HA3   . GLY   A 83  ? 0.17901890 0.16366544 0.02939087 0.00399906  -0.00214084 -0.00483084 195 GLY   A HA3   
1446 N N     . LYS   A 84  ? 0.16185327 0.15470545 0.01799902 0.00432483  0.00045163  -0.00594473 196 LYS   A N     
1447 C CA    . LYS   A 84  ? 0.15686332 0.15251470 0.01580883 0.00328697  -0.00053714 -0.00644738 196 LYS   A CA    
1448 C C     . LYS   A 84  ? 0.15839903 0.14976196 0.01474048 -0.00004323 -0.00209553 -0.00801643 196 LYS   A C     
1449 O O     . LYS   A 84  ? 0.16683169 0.14693558 0.01612292 0.00076464  -0.00494050 -0.00967804 196 LYS   A O     
1450 C CB    . LYS   A 84  ? 0.15226316 0.15431300 0.01210180 0.00482493  -0.00273217 -0.00633427 196 LYS   A CB    
1451 C CG    . LYS   A 84  ? 0.15072799 0.15650333 0.00657918 0.00577503  -0.00334525 -0.00516920 196 LYS   A CG    
1452 C CD    . LYS   A 84  ? 0.15065105 0.15781662 0.00666205 0.00716908  -0.00385938 -0.00603935 196 LYS   A CD    
1453 C CE    . LYS   A 84  ? 0.15226080 0.15986788 0.00673082 0.00725362  -0.00202179 -0.00763113 196 LYS   A CE    
1454 N NZ    . LYS   A 84  ? 0.15403575 0.16493730 0.00667545 0.00817935  -0.00264485 -0.00698291 196 LYS   A NZ    
1455 H H     . LYS   A 84  ? 0.16220090 0.15549098 0.01902582 0.00375751  0.00001851  -0.00609441 196 LYS   A H     
1456 H HA    . LYS   A 84  ? 0.15738115 0.15274541 0.01576883 0.00317048  -0.00088205 -0.00650642 196 LYS   A HA    
1457 H HB2   . LYS   A 84  ? 0.15246822 0.15434833 0.01157638 0.00466909  -0.00251136 -0.00613592 196 LYS   A HB2   
1458 H HB3   . LYS   A 84  ? 0.15263480 0.15439090 0.01163600 0.00467110  -0.00242618 -0.00617071 196 LYS   A HB3   
1459 H HG2   . LYS   A 84  ? 0.15087280 0.15627569 0.00660969 0.00586967  -0.00338458 -0.00558001 196 LYS   A HG2   
1460 H HG3   . LYS   A 84  ? 0.15092058 0.15620357 0.00660510 0.00595517  -0.00339258 -0.00551240 196 LYS   A HG3   
1461 H HD2   . LYS   A 84  ? 0.15085906 0.15793367 0.00665907 0.00699464  -0.00357784 -0.00617223 196 LYS   A HD2   
1462 H HD3   . LYS   A 84  ? 0.15069929 0.15778655 0.00664664 0.00714229  -0.00363703 -0.00597745 196 LYS   A HD3   
1463 H HE2   . LYS   A 84  ? 0.15223494 0.16019961 0.00670978 0.00728470  -0.00249882 -0.00728943 196 LYS   A HE2   
1464 H HE3   . LYS   A 84  ? 0.15237121 0.16029167 0.00671270 0.00724263  -0.00238980 -0.00735592 196 LYS   A HE3   
1465 H HZ1   . LYS   A 84  ? 0.15350035 0.16367020 0.00668186 0.00806287  -0.00253475 -0.00706357 196 LYS   A HZ1   
1466 H HZ2   . LYS   A 84  ? 0.15368548 0.16382052 0.00667688 0.00816627  -0.00244136 -0.00704301 196 LYS   A HZ2   
1467 H HZ3   . LYS   A 84  ? 0.15361103 0.16388814 0.00667544 0.00793166  -0.00255510 -0.00698663 196 LYS   A HZ3   
1468 N N     . PRO   A 85  ? 0.16254804 0.14820457 0.01576564 0.00044040  -0.00165446 -0.00892040 197 PRO   A N     
1469 C CA    . PRO   A 85  ? 0.16545567 0.14920503 0.01405161 -0.00062919 -0.00177604 -0.01004387 197 PRO   A CA    
1470 C C     . PRO   A 85  ? 0.16500418 0.14784047 0.00705440 -0.00274488 -0.00192902 -0.00990607 197 PRO   A C     
1471 O O     . PRO   A 85  ? 0.17359586 0.16264500 0.00680357 -0.01121961 0.00180122  -0.00850233 197 PRO   A O     
1472 C CB    . PRO   A 85  ? 0.16906989 0.15572891 0.03543529 0.00361641  -0.00471463 -0.00510066 197 PRO   A CB    
1473 C CG    . PRO   A 85  ? 0.17357537 0.16007417 0.03495183 0.00533427  -0.00465329 -0.00690072 197 PRO   A CG    
1474 C CD    . PRO   A 85  ? 0.16489378 0.15380739 0.01916176 0.00104044  -0.00545292 -0.00719918 197 PRO   A CD    
1475 H HA    . PRO   A 85  ? 0.16520104 0.14952454 0.01484077 -0.00033140 -0.00125318 -0.00914174 197 PRO   A HA    
1476 H HB2   . PRO   A 85  ? 0.16919120 0.15529761 0.03115689 0.00327471  -0.00420629 -0.00636137 197 PRO   A HB2   
1477 H HB3   . PRO   A 85  ? 0.16969272 0.15512301 0.03143295 0.00308741  -0.00451027 -0.00616121 197 PRO   A HB3   
1478 H HG2   . PRO   A 85  ? 0.17145729 0.15854356 0.03415430 0.00476131  -0.00499923 -0.00743096 197 PRO   A HG2   
1479 H HG3   . PRO   A 85  ? 0.17221694 0.15833330 0.03230898 0.00494182  -0.00482451 -0.00675333 197 PRO   A HG3   
1480 H HD2   . PRO   A 85  ? 0.16545293 0.15351130 0.02096630 0.00156927  -0.00430637 -0.00738425 197 PRO   A HD2   
1481 H HD3   . PRO   A 85  ? 0.16543205 0.15339211 0.02097116 0.00152511  -0.00435053 -0.00736698 197 PRO   A HD3   
1482 N N     . PHE   A 86  ? 0.16295069 0.14524704 0.00965345 -0.00450128 0.00073748  -0.01359981 198 PHE   A N     
1483 C CA    . PHE   A 86  ? 0.16067001 0.14557220 0.00807977 -0.00410189 -0.00604859 -0.00972771 198 PHE   A CA    
1484 C C     . PHE   A 86  ? 0.15189491 0.14696196 0.00749947 -0.00374734 -0.00697570 -0.01063744 198 PHE   A C     
1485 O O     . PHE   A 86  ? 0.14851400 0.14552674 0.00774831 -0.00612722 -0.00733530 -0.00818642 198 PHE   A O     
1486 C CB    . PHE   A 86  ? 0.16776258 0.14886555 0.02130696 -0.00499329 -0.01407067 -0.00561321 198 PHE   A CB    
1487 C CG    . PHE   A 86  ? 0.17652509 0.15342900 0.01796814 -0.00699949 -0.01863556 -0.00111006 198 PHE   A CG    
1488 C CD1   . PHE   A 86  ? 0.17969866 0.15614443 0.02428612 -0.00867568 -0.01800572 -0.00328560 198 PHE   A CD1   
1489 C CD2   . PHE   A 86  ? 0.18673882 0.15368377 0.03110702 -0.01045723 -0.02322552 0.00106007  198 PHE   A CD2   
1490 C CE1   . PHE   A 86  ? 0.18749031 0.15807915 0.02564226 -0.00904347 -0.01518566 -0.00179783 198 PHE   A CE1   
1491 C CE2   . PHE   A 86  ? 0.19181573 0.16416898 0.03381135 -0.01215116 -0.02027435 0.00330591  198 PHE   A CE2   
1492 C CZ    . PHE   A 86  ? 0.19160658 0.16421992 0.03057348 -0.01116540 -0.01758681 0.00326787  198 PHE   A CZ    
1493 H H     . PHE   A 86  ? 0.16252159 0.14586128 0.00816827 -0.00411059 -0.00055593 -0.01225747 198 PHE   A H     
1494 H HA    . PHE   A 86  ? 0.16026253 0.14633207 0.00903574 -0.00421752 -0.00550870 -0.00973250 198 PHE   A HA    
1495 H HB2   . PHE   A 86  ? 0.16783321 0.14894260 0.01806495 -0.00512051 -0.01319594 -0.00568172 198 PHE   A HB2   
1496 H HB3   . PHE   A 86  ? 0.16780710 0.14897867 0.01807255 -0.00516340 -0.01319891 -0.00565300 198 PHE   A HB3   
1497 H HD1   . PHE   A 86  ? 0.17985195 0.15627269 0.02333491 -0.00824389 -0.01730313 -0.00274387 198 PHE   A HD1   
1498 H HD2   . PHE   A 86  ? 0.18557410 0.15485980 0.02889989 -0.00989856 -0.02135161 0.00067473  198 PHE   A HD2   
1499 H HE1   . PHE   A 86  ? 0.18668866 0.15811536 0.02631932 -0.00931518 -0.01623399 -0.00146611 198 PHE   A HE1   
1500 H HE2   . PHE   A 86  ? 0.19074555 0.16243592 0.03271640 -0.01136327 -0.02030776 0.00268991  198 PHE   A HE2   
1501 H HZ    . PHE   A 86  ? 0.19059275 0.16282214 0.03066278 -0.01087127 -0.01772715 0.00233886  198 PHE   A HZ    
1502 N N     . LYS   A 87  ? 0.14902459 0.14924759 0.00711198 -0.00300787 -0.00274673 -0.01012967 199 LYS   A N     
1503 C CA    . LYS   A 87  ? 0.15078373 0.15393145 0.01193297 -0.00294054 -0.00069827 -0.01221084 199 LYS   A CA    
1504 C C     . LYS   A 87  ? 0.14791228 0.15593472 0.01267752 -0.00492429 0.00090915  -0.01461622 199 LYS   A C     
1505 O O     . LYS   A 87  ? 0.14945534 0.16922900 0.00780994 -0.00625580 0.00060031  -0.01226279 199 LYS   A O     
1506 C CB    . LYS   A 87  ? 0.16204199 0.15751162 0.01897167 -0.00158783 -0.00247676 -0.00873172 199 LYS   A CB    
1507 C CG    . LYS   A 87  ? 0.17213327 0.16158000 0.03152068 -0.00104116 -0.00473883 -0.00841465 199 LYS   A CG    
1508 C CD    . LYS   A 87  ? 0.18431693 0.17016783 0.04204783 0.00281948  -0.00680826 -0.00276278 199 LYS   A CD    
1509 C CE    . LYS   A 87  ? 0.19376956 0.18829012 0.05410830 0.00388887  -0.00102000 -0.00000270 199 LYS   A CE    
1510 N NZ    . LYS   A 87  ? 0.21706472 0.20577650 0.07510743 0.01362259  -0.00029511 0.00845858  199 LYS   A NZ    
1511 H H     . LYS   A 87  ? 0.14942719 0.14950702 0.00719945 -0.00297442 -0.00280995 -0.01071953 199 LYS   A H     
1512 H HA    . LYS   A 87  ? 0.15098689 0.15380955 0.01177660 -0.00303891 -0.00078051 -0.01180966 199 LYS   A HA    
1513 H HB2   . LYS   A 87  ? 0.16157229 0.15748377 0.01992104 -0.00162899 -0.00231258 -0.00931164 199 LYS   A HB2   
1514 H HB3   . LYS   A 87  ? 0.16153188 0.15760806 0.01996882 -0.00164764 -0.00233333 -0.00930425 199 LYS   A HB3   
1515 H HG2   . LYS   A 87  ? 0.17175157 0.16197237 0.03070751 -0.00054379 -0.00481126 -0.00750276 199 LYS   A HG2   
1516 H HG3   . LYS   A 87  ? 0.17192096 0.16196202 0.03099250 -0.00051902 -0.00494918 -0.00742269 199 LYS   A HG3   
1517 H HD2   . LYS   A 87  ? 0.18308020 0.17077023 0.04163192 0.00229309  -0.00530065 -0.00337437 199 LYS   A HD2   
1518 H HD3   . LYS   A 87  ? 0.18320560 0.17074594 0.04162128 0.00236752  -0.00523377 -0.00340079 199 LYS   A HD3   
1519 H HE2   . LYS   A 87  ? 0.19403106 0.18648235 0.05427562 0.00521953  -0.00193664 0.00109339  199 LYS   A HE2   
1520 H HE3   . LYS   A 87  ? 0.19417308 0.18647680 0.05443969 0.00531191  -0.00206935 0.00084781  199 LYS   A HE3   
1521 H HZ1   . LYS   A 87  ? 0.21369332 0.20167281 0.07008973 0.01244280  0.00059477  0.00728024  199 LYS   A HZ1   
1522 H HZ2   . LYS   A 87  ? 0.21152529 0.20351011 0.07031279 0.01161353  -0.00040129 0.00810709  199 LYS   A HZ2   
1523 H HZ3   . LYS   A 87  ? 0.21299180 0.20151886 0.07167122 0.01187345  -0.00193457 0.00682205  199 LYS   A HZ3   
1524 N N     . ILE   A 88  ? 0.14237624 0.15532844 0.01246563 -0.00424478 0.00380970  -0.01427030 200 ILE   A N     
1525 C CA    . ILE   A 88  ? 0.14191130 0.15718453 0.00759072 -0.00304745 0.00288220  -0.01349867 200 ILE   A CA    
1526 C C     . ILE   A 88  ? 0.13786647 0.15598428 0.01195814 -0.00458038 0.00148284  -0.01686320 200 ILE   A C     
1527 O O     . ILE   A 88  ? 0.13704610 0.15851291 0.01810441 -0.00329980 0.00286095  -0.01983001 200 ILE   A O     
1528 C CB    . ILE   A 88  ? 0.14642128 0.16376340 0.00714838 -0.00228934 0.00246405  -0.01106666 200 ILE   A CB    
1529 C CG1   . ILE   A 88  ? 0.15134953 0.16623025 0.00725486 -0.00296412 0.00381501  -0.00832080 200 ILE   A CG1   
1530 C CG2   . ILE   A 88  ? 0.14770308 0.16506688 0.01440924 -0.00248710 0.00126819  -0.00994377 200 ILE   A CG2   
1531 C CD1   . ILE   A 88  ? 0.15463389 0.16927147 0.00771084 -0.00164099 0.00499698  -0.00692819 200 ILE   A CD1   
1532 H H     . ILE   A 88  ? 0.14296073 0.15567647 0.01108675 -0.00417405 0.00336010  -0.01405048 200 ILE   A H     
1533 H HA    . ILE   A 88  ? 0.14154747 0.15753688 0.00819788 -0.00327006 0.00312468  -0.01396147 200 ILE   A HA    
1534 H HB    . ILE   A 88  ? 0.14627634 0.16321152 0.00760117 -0.00244807 0.00277283  -0.01096779 200 ILE   A HB    
1535 H HG12  . ILE   A 88  ? 0.15110223 0.16611697 0.00741952 -0.00267609 0.00367149  -0.00858208 200 ILE   A HG12  
1536 H HG13  . ILE   A 88  ? 0.15124406 0.16598853 0.00757331 -0.00267274 0.00361950  -0.00855288 200 ILE   A HG13  
1537 H HG21  . ILE   A 88  ? 0.14744924 0.16480571 0.01362611 -0.00246344 0.00160029  -0.01039392 200 ILE   A HG21  
1538 H HG22  . ILE   A 88  ? 0.14775348 0.16471981 0.01319614 -0.00248986 0.00117533  -0.01017192 200 ILE   A HG22  
1539 H HG23  . ILE   A 88  ? 0.14740178 0.16483973 0.01295649 -0.00247728 0.00145034  -0.01020412 200 ILE   A HG23  
1540 H HD11  . ILE   A 88  ? 0.15400504 0.16857181 0.00789272 -0.00190366 0.00471472  -0.00717678 200 ILE   A HD11  
1541 H HD12  . ILE   A 88  ? 0.15388863 0.16880204 0.00785534 -0.00189370 0.00477448  -0.00714792 200 ILE   A HD12  
1542 H HD13  . ILE   A 88  ? 0.15410776 0.16857345 0.00804981 -0.00177672 0.00495961  -0.00714270 200 ILE   A HD13  
1543 N N     . GLN   A 89  ? 0.13966358 0.15443182 0.01326293 -0.00443539 0.00212814  -0.01807722 201 GLN   A N     
1544 C CA    . GLN   A 89  ? 0.14745127 0.15670182 0.02139130 -0.00363816 0.00114544  -0.02085548 201 GLN   A CA    
1545 C C     . GLN   A 89  ? 0.14167118 0.15372758 0.01787104 -0.00186933 0.00409922  -0.02226660 201 GLN   A C     
1546 O O     . GLN   A 89  ? 0.14158233 0.17680243 0.03098493 0.00090130  0.00240463  -0.03228385 201 GLN   A O     
1547 C CB    . GLN   A 89  ? 0.16583954 0.15953045 0.03662849 -0.00327865 -0.00935423 -0.01437755 201 GLN   A CB    
1548 C CG    . GLN   A 89  ? 0.18046781 0.17319365 0.05564072 -0.00523979 -0.01979673 -0.01636214 201 GLN   A CG    
1549 C CD    . GLN   A 89  ? 0.20833224 0.18130958 0.06394985 -0.00883432 -0.02792736 -0.01175561 201 GLN   A CD    
1550 O OE1   . GLN   A 89  ? 0.25027657 0.20228235 0.05157782 -0.02106832 -0.01860525 -0.01209603 201 GLN   A OE1   
1551 N NE2   . GLN   A 89  ? 0.22216702 0.19033794 0.08885432 -0.00097499 -0.03443264 -0.00745326 201 GLN   A NE2   
1552 H H     . GLN   A 89  ? 0.14013416 0.15505272 0.01437847 -0.00411409 0.00215775  -0.01834388 201 GLN   A H     
1553 H HA    . GLN   A 89  ? 0.14709674 0.15630926 0.02145434 -0.00332217 0.00074142  -0.01964460 201 GLN   A HA    
1554 H HB2   . GLN   A 89  ? 0.16451743 0.16087072 0.03698515 -0.00378760 -0.00934938 -0.01581859 201 GLN   A HB2   
1555 H HB3   . GLN   A 89  ? 0.16409864 0.16054088 0.03670388 -0.00362337 -0.00890342 -0.01598210 201 GLN   A HB3   
1556 H HG2   . GLN   A 89  ? 0.18192968 0.17181605 0.05343437 -0.00518983 -0.01913663 -0.01470821 201 GLN   A HG2   
1557 H HG3   . GLN   A 89  ? 0.18147340 0.17197040 0.05270826 -0.00505167 -0.01879266 -0.01470474 201 GLN   A HG3   
1558 H HE21  . GLN   A 89  ? 0.21932408 0.18751740 0.08551835 -0.00307819 -0.03466552 -0.00817885 201 GLN   A HE21  
1559 H HE22  . GLN   A 89  ? 0.21897691 0.18834606 0.08501139 -0.00315621 -0.03285707 -0.00916527 201 GLN   A HE22  
1560 N N     . VAL   A 90  ? 0.13094786 0.15070499 0.00942737 -0.00341654 0.00552729  -0.01413758 202 VAL   A N     
1561 C CA    . VAL   A 90  ? 0.13423093 0.14889266 0.00729336 -0.00313048 0.00415951  -0.01094715 202 VAL   A CA    
1562 C C     . VAL   A 90  ? 0.13822669 0.14811106 0.00717009 -0.00423880 -0.00206742 -0.01061235 202 VAL   A C     
1563 O O     . VAL   A 90  ? 0.14102569 0.14642011 0.02485467 -0.00144444 0.00140601  -0.00592003 202 VAL   A O     
1564 C CB    . VAL   A 90  ? 0.13707872 0.15092541 0.00734007 -0.00369569 0.00607221  -0.01041001 202 VAL   A CB    
1565 C CG1   . VAL   A 90  ? 0.14108631 0.15439132 0.00805066 -0.00418331 0.00179588  -0.00890719 202 VAL   A CG1   
1566 C CG2   . VAL   A 90  ? 0.13908273 0.15176806 0.00718266 -0.00446049 0.00844106  -0.00703091 202 VAL   A CG2   
1567 H H     . VAL   A 90  ? 0.13238923 0.15100412 0.01011419 -0.00288138 0.00542389  -0.01517416 202 VAL   A H     
1568 H HA    . VAL   A 90  ? 0.13441603 0.14943950 0.00738981 -0.00319910 0.00395568  -0.01166338 202 VAL   A HA    
1569 H HB    . VAL   A 90  ? 0.13703930 0.15104651 0.00722920 -0.00359790 0.00574108  -0.00981194 202 VAL   A HB    
1570 H HG11  . VAL   A 90  ? 0.14080918 0.15374091 0.00747561 -0.00426245 0.00248473  -0.00923328 202 VAL   A HG11  
1571 H HG12  . VAL   A 90  ? 0.14029181 0.15390772 0.00735750 -0.00408792 0.00272007  -0.00930842 202 VAL   A HG12  
1572 H HG13  . VAL   A 90  ? 0.14029509 0.15370052 0.00790072 -0.00407881 0.00272489  -0.00937791 202 VAL   A HG13  
1573 H HG21  . VAL   A 90  ? 0.13865326 0.15121193 0.00714546 -0.00432248 0.00802501  -0.00713317 202 VAL   A HG21  
1574 H HG22  . VAL   A 90  ? 0.13885519 0.15142724 0.00720357 -0.00419971 0.00810784  -0.00762945 202 VAL   A HG22  
1575 H HG23  . VAL   A 90  ? 0.13871300 0.15140881 0.00718338 -0.00432530 0.00792777  -0.00764157 202 VAL   A HG23  
1576 N N     . LEU   A 91  ? 0.14579374 0.14701115 0.01057351 -0.00611687 0.00070073  -0.01041632 203 LEU   A N     
1577 C CA    . LEU   A 91  ? 0.15477948 0.14916241 0.02215972 -0.00754298 0.00027177  -0.00928006 203 LEU   A CA    
1578 C C     . LEU   A 91  ? 0.15172130 0.14654046 0.02456620 -0.00409891 -0.00169635 -0.00922693 203 LEU   A C     
1579 O O     . LEU   A 91  ? 0.15360160 0.14943212 0.02945709 -0.00069389 -0.00571688 -0.01017635 203 LEU   A O     
1580 C CB    . LEU   A 91  ? 0.16827461 0.15726171 0.02803609 -0.00958928 0.00347264  -0.00191389 203 LEU   A CB    
1581 C CG    . LEU   A 91  ? 0.18800096 0.16302560 0.05111970 -0.01084777 0.00343367  0.00371652  203 LEU   A CG    
1582 C CD1   . LEU   A 91  ? 0.19164471 0.16350752 0.05371933 -0.00999217 0.00238774  0.00607537  203 LEU   A CD1   
1583 C CD2   . LEU   A 91  ? 0.20381725 0.17126667 0.05890590 -0.01165992 0.01350983  0.00805905  203 LEU   A CD2   
1584 H H     . LEU   A 91  ? 0.14543229 0.14755183 0.01172946 -0.00584622 0.00023976  -0.01029564 203 LEU   A H     
1585 H HA    . LEU   A 91  ? 0.15451035 0.14937830 0.02140855 -0.00714417 0.00051924  -0.00834419 203 LEU   A HA    
1586 H HB2   . LEU   A 91  ? 0.16794732 0.15638073 0.03032280 -0.00927865 0.00279255  -0.00242698 203 LEU   A HB2   
1587 H HB3   . LEU   A 91  ? 0.16810496 0.15656568 0.03045730 -0.00932200 0.00278801  -0.00239007 203 LEU   A HB3   
1588 H HG    . LEU   A 91  ? 0.18656893 0.16298290 0.04809117 -0.01035870 0.00490631  0.00387531  203 LEU   A HG    
1589 H HD11  . LEU   A 91  ? 0.19002531 0.16297524 0.05367469 -0.01000494 0.00243679  0.00542166  203 LEU   A HD11  
1590 H HD12  . LEU   A 91  ? 0.19062132 0.16322964 0.05333693 -0.01008477 0.00258853  0.00557862  203 LEU   A HD12  
1591 H HD13  . LEU   A 91  ? 0.19084598 0.16322187 0.05347810 -0.00999354 0.00275679  0.00568851  203 LEU   A HD13  
1592 H HD21  . LEU   A 91  ? 0.20146337 0.16966277 0.05729915 -0.01170783 0.01138747  0.00733405  203 LEU   A HD21  
1593 H HD22  . LEU   A 91  ? 0.20157959 0.16978268 0.05809403 -0.01076403 0.01240318  0.00779446  203 LEU   A HD22  
1594 H HD23  . LEU   A 91  ? 0.20153759 0.17041349 0.05722310 -0.01150583 0.01165486  0.00722420  203 LEU   A HD23  
1595 N N     . VAL   A 92  ? 0.15136717 0.14872400 0.02110583 -0.00211944 -0.00340905 -0.00870021 204 VAL   A N     
1596 C CA    . VAL   A 92  ? 0.15486625 0.14959636 0.02665044 -0.00345314 -0.00756219 -0.00727361 204 VAL   A CA    
1597 C C     . VAL   A 92  ? 0.15913650 0.15274037 0.02873007 -0.00506331 -0.00775955 -0.00211636 204 VAL   A C     
1598 O O     . VAL   A 92  ? 0.16156444 0.14939760 0.04949799 -0.00423399 -0.00525296 0.00039914  204 VAL   A O     
1599 C CB    . VAL   A 92  ? 0.15847200 0.15481988 0.02868614 -0.00075118 -0.00736295 -0.01116442 204 VAL   A CB    
1600 C CG1   . VAL   A 92  ? 0.16342662 0.15808119 0.02335265 0.00036138  -0.00760031 -0.01007022 204 VAL   A CG1   
1601 C CG2   . VAL   A 92  ? 0.16222724 0.15776555 0.02641184 -0.00148851 -0.00479273 -0.01172900 204 VAL   A CG2   
1602 H H     . VAL   A 92  ? 0.15169716 0.14867517 0.02299216 -0.00260264 -0.00375511 -0.00856064 204 VAL   A H     
1603 H HA    . VAL   A 92  ? 0.15545130 0.15039743 0.02654684 -0.00301879 -0.00694367 -0.00701744 204 VAL   A HA    
1604 H HB    . VAL   A 92  ? 0.15894479 0.15474615 0.02755008 -0.00104114 -0.00698252 -0.01044923 204 VAL   A HB    
1605 H HG11  . VAL   A 92  ? 0.16242160 0.15746969 0.02475981 0.00009850  -0.00746807 -0.01038316 204 VAL   A HG11  
1606 H HG12  . VAL   A 92  ? 0.16242789 0.15754423 0.02479229 0.00022923  -0.00753303 -0.01039058 204 VAL   A HG12  
1607 H HG13  . VAL   A 92  ? 0.16229840 0.15739442 0.02466317 0.00018610  -0.00739579 -0.01041102 204 VAL   A HG13  
1608 H HG21  . VAL   A 92  ? 0.16139685 0.15706970 0.02692172 -0.00132013 -0.00504742 -0.01169664 204 VAL   A HG21  
1609 H HG22  . VAL   A 92  ? 0.16143331 0.15700780 0.02723453 -0.00134247 -0.00511170 -0.01152187 204 VAL   A HG22  
1610 H HG23  . VAL   A 92  ? 0.16156273 0.15726995 0.02714624 -0.00152951 -0.00518060 -0.01167036 204 VAL   A HG23  
1611 N N     A GLU   A 93  ? 0.16310012 0.15634689 0.03531237 -0.00722901 -0.00802616 -0.00103411 205 GLU   A N     
1612 N N     B GLU   A 93  ? 0.16245386 0.15489975 0.02524390 -0.00621764 -0.01164570 0.00228665  205 GLU   A N     
1613 C CA    A GLU   A 93  ? 0.17058645 0.15985617 0.03571634 -0.00982391 -0.00795721 0.00124886  205 GLU   A CA    
1614 C CA    B GLU   A 93  ? 0.16826031 0.15740898 0.01945489 -0.00723883 -0.01369246 0.00701845  205 GLU   A CA    
1615 C C     A GLU   A 93  ? 0.16850241 0.15569879 0.02795118 -0.00999720 -0.00536726 0.00489826  205 GLU   A C     
1616 C C     B GLU   A 93  ? 0.16658592 0.15427859 0.01669810 -0.00893208 -0.01035467 0.00715801  205 GLU   A C     
1617 O O     A GLU   A 93  ? 0.16627984 0.15365636 0.02441433 -0.01044513 -0.00541824 0.00185618  205 GLU   A O     
1618 O O     B GLU   A 93  ? 0.16504844 0.15257397 0.01413905 -0.00911425 -0.00967327 0.00467659  205 GLU   A O     
1619 C CB    A GLU   A 93  ? 0.17889541 0.16800326 0.04700838 -0.00784151 -0.00205975 0.00150545  205 GLU   A CB    
1620 C CB    B GLU   A 93  ? 0.17320877 0.16223575 0.01515717 -0.00450335 -0.01533215 0.01165240  205 GLU   A CB    
1621 C CG    A GLU   A 93  ? 0.19142908 0.17816302 0.05087105 -0.00928161 -0.00470183 0.00247479  205 GLU   A CG    
1622 C CG    B GLU   A 93  ? 0.18195069 0.16789635 0.01154707 -0.00397159 -0.01725790 0.01671218  205 GLU   A CG    
1623 C CD    A GLU   A 93  ? 0.20504671 0.19258484 0.07427415 -0.00856479 0.01010631  0.00430963  205 GLU   A CD    
1624 C CD    B GLU   A 93  ? 0.19028349 0.17525972 0.01927495 -0.00338670 -0.01781841 0.02524639  205 GLU   A CD    
1625 O OE1   A GLU   A 93  ? 0.21423560 0.20711257 0.09138440 -0.00684229 0.00532555  0.00865157  205 GLU   A OE1   
1626 O OE1   B GLU   A 93  ? 0.19926131 0.17567047 0.02353190 -0.00027554 -0.01893604 0.03012102  205 GLU   A OE1   
1627 O OE2   A GLU   A 93  ? 0.23059130 0.21414201 0.08312629 -0.01301978 0.00200175  0.00402428  205 GLU   A OE2   
1628 O OE2   B GLU   A 93  ? 0.20505844 0.18663780 0.01737363 -0.00028987 -0.01941567 0.03080336  205 GLU   A OE2   
1629 H H     A GLU   A 93  ? 0.16333804 0.15618223 0.03417356 -0.00724547 -0.00797159 -0.00102624 205 GLU   A H     
1630 H H     B GLU   A 93  ? 0.16261025 0.15472800 0.02514892 -0.00610602 -0.01128271 0.00212928  205 GLU   A H     
1631 H HA    A GLU   A 93  ? 0.17000115 0.15955751 0.03593557 -0.00924630 -0.00659176 0.00144486  205 GLU   A HA    
1632 H HA    B GLU   A 93  ? 0.16770107 0.15706970 0.01981605 -0.00697898 -0.01287329 0.00685825  205 GLU   A HA    
1633 H HB2   A GLU   A 93  ? 0.17903921 0.16792691 0.04537193 -0.00847155 -0.00369251 0.00161395  205 GLU   A HB2   
1634 H HB2   B GLU   A 93  ? 0.17355762 0.16208199 0.01539407 -0.00479931 -0.01546571 0.01179386  205 GLU   A HB2   
1635 H HB3   A GLU   A 93  ? 0.17900999 0.16775924 0.04513821 -0.00836174 -0.00372928 0.00171822  205 GLU   A HB3   
1636 H HB3   B GLU   A 93  ? 0.17360929 0.16216682 0.01552849 -0.00485684 -0.01536411 0.01171017  205 GLU   A HB3   
1637 H HG2   A GLU   A 93  ? 0.19083537 0.17804702 0.05346768 -0.00858769 -0.00159317 0.00280390  205 GLU   A HG2   
1638 H HG2   B GLU   A 93  ? 0.18169688 0.16800435 0.01374662 -0.00383598 -0.01688743 0.01711497  205 GLU   A HG2   
1639 H HG3   A GLU   A 93  ? 0.19088149 0.17813763 0.05347477 -0.00859469 -0.00158548 0.00277980  205 GLU   A HG3   
1640 H HG3   B GLU   A 93  ? 0.18158197 0.16791947 0.01369027 -0.00380224 -0.01681336 0.01706928  205 GLU   A HG3   
1641 N N     . PRO   A 94  ? 0.16965491 0.15353939 0.02303317 -0.01119725 -0.00512059 0.00506593  206 PRO   A N     
1642 C CA    . PRO   A 94  ? 0.16824913 0.15332855 0.02465286 -0.01380477 -0.00002022 -0.00001382 206 PRO   A CA    
1643 C C     . PRO   A 94  ? 0.16112667 0.14745311 0.02395178 -0.01559988 0.00367903  -0.00274349 206 PRO   A C     
1644 O O     . PRO   A 94  ? 0.16372898 0.14914791 0.02367074 -0.01237480 0.00158968  0.00167138  206 PRO   A O     
1645 C CB    . PRO   A 94  ? 0.17302871 0.15584998 0.03586306 -0.01337726 0.00191757  0.00558032  206 PRO   A CB    
1646 C CG    . PRO   A 94  ? 0.17469405 0.15872099 0.03376376 -0.01402521 0.00202818  0.00736146  206 PRO   A CG    
1647 C CD    . PRO   A 94  ? 0.17062254 0.15674637 0.02970108 -0.01271035 -0.00381611 0.00973116  206 PRO   A CD    
1648 H HA    . PRO   A 94  ? 0.16773920 0.15265261 0.02565323 -0.01352382 0.00021161  0.00103511  206 PRO   A HA    
1649 H HB2   . PRO   A 94  ? 0.17255825 0.15581824 0.03358106 -0.01352226 0.00153805  0.00508439  206 PRO   A HB2   
1650 H HB3   . PRO   A 94  ? 0.17239198 0.15629932 0.03405153 -0.01344880 0.00161776  0.00556575  206 PRO   A HB3   
1651 H HG2   . PRO   A 94  ? 0.17368105 0.15774512 0.03353627 -0.01375987 0.00099317  0.00751760  206 PRO   A HG2   
1652 H HG3   . PRO   A 94  ? 0.17382601 0.15781140 0.03353054 -0.01382735 0.00092378  0.00752231  206 PRO   A HG3   
1653 H HD2   . PRO   A 94  ? 0.17124757 0.15662317 0.02939506 -0.01265896 -0.00352151 0.00862102  206 PRO   A HD2   
1654 H HD3   . PRO   A 94  ? 0.17072083 0.15653279 0.02911392 -0.01252195 -0.00346711 0.00848051  206 PRO   A HD3   
1655 N N     . ASP   A 95  ? 0.15997884 0.14921978 0.01839486 -0.01734041 0.00523078  -0.00292588 207 ASP   A N     
1656 C CA    . ASP   A 95  ? 0.16003969 0.14870562 0.02007181 -0.01608393 0.00450990  -0.00484171 207 ASP   A CA    
1657 C C     . ASP   A 95  ? 0.15800533 0.14584786 0.01697118 -0.01462656 0.00383888  -0.00475617 207 ASP   A C     
1658 O O     . ASP   A 95  ? 0.15980791 0.14393312 0.02565347 -0.01374707 -0.00057392 -0.00671679 207 ASP   A O     
1659 C CB    . ASP   A 95  ? 0.16093044 0.15533015 0.02511996 -0.01853140 0.00544288  -0.00398083 207 ASP   A CB    
1660 C CG    . ASP   A 95  ? 0.16696882 0.16237433 0.02767561 -0.02268675 0.00398709  -0.00473300 207 ASP   A CG    
1661 O OD1   . ASP   A 95  ? 0.17319670 0.17049478 0.03209940 -0.02529424 0.00412081  -0.01302461 207 ASP   A OD1   
1662 O OD2   . ASP   A 95  ? 0.17572208 0.17836532 0.04672757 -0.03063327 0.01079868  -0.00316818 207 ASP   A OD2   
1663 H H     . ASP   A 95  ? 0.16015846 0.14877209 0.01889687 -0.01658653 0.00419156  -0.00330956 207 ASP   A H     
1664 H HA    . ASP   A 95  ? 0.15997791 0.14921898 0.02006671 -0.01650304 0.00454537  -0.00471598 207 ASP   A HA    
1665 H HB2   . ASP   A 95  ? 0.16178462 0.15519193 0.02529414 -0.01867618 0.00489156  -0.00412706 207 ASP   A HB2   
1666 H HB3   . ASP   A 95  ? 0.16168109 0.15499175 0.02490635 -0.01865236 0.00494622  -0.00419637 207 ASP   A HB3   
1667 N N     A HIS   A 96  ? 0.15710083 0.14095891 0.01316245 -0.01528899 0.00633562  -0.00459233 208 HIS   A N     
1668 N N     B HIS   A 96  ? 0.16095880 0.14961287 0.02456890 -0.01383340 0.00168025  -0.00719057 208 HIS   A N     
1669 C CA    A HIS   A 96  ? 0.15672067 0.14083160 0.01253750 -0.01399484 0.00841408  -0.00412360 208 HIS   A CA    
1670 C CA    B HIS   A 96  ? 0.16512007 0.15217049 0.03456221 -0.01137106 0.00257622  -0.00732788 208 HIS   A CA    
1671 C C     A HIS   A 96  ? 0.15605323 0.14218843 0.01022423 -0.01117268 0.00477445  -0.00384587 208 HIS   A C     
1672 C C     B HIS   A 96  ? 0.16102171 0.14588113 0.02013433 -0.01026878 0.00238586  -0.00563976 208 HIS   A C     
1673 O O     A HIS   A 96  ? 0.15960419 0.14141157 0.01249718 -0.01068285 0.00364821  -0.00170466 208 HIS   A O     
1674 O O     B HIS   A 96  ? 0.16286303 0.14629403 0.02155663 -0.00968578 0.00251281  -0.00311060 208 HIS   A O     
1675 C CB    A HIS   A 96  ? 0.15854822 0.14110628 0.01438313 -0.01491920 0.01294390  -0.00209294 208 HIS   A CB    
1676 C CB    B HIS   A 96  ? 0.17543267 0.16367511 0.04527939 -0.00596413 0.00755804  -0.01269620 208 HIS   A CB    
1677 C CG    A HIS   A 96  ? 0.16075785 0.14052005 0.01573450 -0.01747003 0.01573836  0.00003186  208 HIS   A CG    
1678 C CG    B HIS   A 96  ? 0.18388787 0.17991799 0.06961627 -0.00467175 0.01220658  -0.00923128 208 HIS   A CG    
1679 N ND1   A HIS   A 96  ? 0.16607408 0.14259717 0.02136237 -0.01944942 0.01908628  0.00205194  208 HIS   A ND1   
1680 N ND1   B HIS   A 96  ? 0.19464812 0.18916395 0.08451150 0.00261076  0.01078803  -0.00893868 208 HIS   A ND1   
1681 C CD2   A HIS   A 96  ? 0.16199401 0.14386004 0.01504058 -0.01673643 0.01635670  0.00355092  208 HIS   A CD2   
1682 C CD2   B HIS   A 96  ? 0.19147739 0.18306987 0.07655548 -0.00398277 0.01361154  -0.00782450 208 HIS   A CD2   
1683 C CE1   A HIS   A 96  ? 0.16879426 0.14452666 0.02272741 -0.01798442 0.02064351  0.00503597  208 HIS   A CE1   
1684 C CE1   B HIS   A 96  ? 0.19410551 0.19667420 0.08994764 0.00273766  0.01517281  -0.00759911 208 HIS   A CE1   
1685 N NE2   A HIS   A 96  ? 0.16902791 0.14664689 0.01792721 -0.01623609 0.01831843  0.00607909  208 HIS   A NE2   
1686 N NE2   B HIS   A 96  ? 0.19807927 0.19293544 0.09449288 0.00349944  0.01601916  -0.01179221 208 HIS   A NE2   
1687 H H     A HIS   A 96  ? 0.15718293 0.14184415 0.01393274 -0.01497554 0.00618778  -0.00442884 208 HIS   A H     
1688 H H     B HIS   A 96  ? 0.16105112 0.14929447 0.02454233 -0.01373490 0.00234746  -0.00662542 208 HIS   A H     
1689 H HA    A HIS   A 96  ? 0.15684675 0.14103074 0.01290160 -0.01379403 0.00800269  -0.00395239 208 HIS   A HA    
1690 H HA    B HIS   A 96  ? 0.16473664 0.15210165 0.03237808 -0.01094793 0.00339269  -0.00800011 208 HIS   A HA    
1691 H HB2   A HIS   A 96  ? 0.15856841 0.14103836 0.01448900 -0.01507025 0.01260948  -0.00198704 208 HIS   A HB2   
1692 H HB2   B HIS   A 96  ? 0.17462324 0.16357303 0.04690378 -0.00667747 0.00726603  -0.01110706 208 HIS   A HB2   
1693 H HB3   A HIS   A 96  ? 0.15863518 0.14108701 0.01455828 -0.01510718 0.01261204  -0.00199759 208 HIS   A HB3   
1694 H HB3   B HIS   A 96  ? 0.17462774 0.16362061 0.04687619 -0.00668512 0.00727419  -0.01110722 208 HIS   A HB3   
1695 H HD1   A HIS   A 96  ? 0.11603808 0.11603808 0.11603808 0.00000000  0.00000000  0.00000000  208 HIS   A HD1   
1696 H HD1   B HIS   A 96  ? 0.18910331 0.18910331 0.18910331 0.00000000  0.00000000  0.00000000  208 HIS   A HD1   
1697 H HD2   A HIS   A 96  ? 0.16253340 0.14366235 0.01590448 -0.01682227 0.01665940  0.00339967  208 HIS   A HD2   
1698 H HD2   B HIS   A 96  ? 0.19133748 0.18396218 0.07756305 -0.00295150 0.01390174  -0.00861464 208 HIS   A HD2   
1699 H HE1   A HIS   A 96  ? 0.16840896 0.14445549 0.02174732 -0.01792085 0.02014172  0.00484668  208 HIS   A HE1   
1700 H HE1   B HIS   A 96  ? 0.19475013 0.19532976 0.08971084 0.00312363  0.01475089  -0.00813291 208 HIS   A HE1   
1701 H HE2   A HIS   A 96  ? 0.12159807 0.12159807 0.12159807 0.00000000  0.00000000  0.00000000  208 HIS   A HE2   
1702 H HE2   B HIS   A 96  ? 0.20536536 0.20536536 0.20536536 0.00000000  0.00000000  0.00000000  208 HIS   A HE2   
1703 N N     . PHE   A 97  ? 0.15346856 0.14384343 0.01056253 -0.01038267 0.00305666  -0.00324511 209 PHE   A N     
1704 C CA    . PHE   A 97  ? 0.15293477 0.14878491 0.02007056 -0.00930743 -0.00073081 -0.00275727 209 PHE   A CA    
1705 C C     . PHE   A 97  ? 0.15099001 0.15172797 0.02233798 -0.00434058 -0.00124070 -0.00332328 209 PHE   A C     
1706 O O     . PHE   A 97  ? 0.15802580 0.16463771 0.02193966 0.00603081  -0.00490701 -0.00783071 209 PHE   A O     
1707 C CB    . PHE   A 97  ? 0.15630677 0.14881442 0.02543822 -0.01158874 0.00172170  -0.00338397 209 PHE   A CB    
1708 C CG    . PHE   A 97  ? 0.17187797 0.15153064 0.02165104 -0.01624971 0.00198213  -0.00174417 209 PHE   A CG    
1709 C CD1   . PHE   A 97  ? 0.18097220 0.15607116 0.01918134 -0.01311783 0.00420337  -0.00628722 209 PHE   A CD1   
1710 C CD2   . PHE   A 97  ? 0.18235195 0.15345997 0.02827075 -0.01926613 -0.00560855 -0.00258567 209 PHE   A CD2   
1711 C CE1   . PHE   A 97  ? 0.19192725 0.16396081 0.01885121 -0.01351758 0.00585836  -0.00724084 209 PHE   A CE1   
1712 C CE2   . PHE   A 97  ? 0.19384278 0.15793343 0.02634227 -0.02052638 -0.00629895 -0.00402825 209 PHE   A CE2   
1713 C CZ    . PHE   A 97  ? 0.19973774 0.15979990 0.01915135 -0.01759754 0.00195327  -0.00893374 209 PHE   A CZ    
1714 H H     . PHE   A 97  ? 0.15474805 0.14427152 0.01338017 -0.01004050 0.00244469  -0.00320273 209 PHE   A H     
1715 H HA    . PHE   A 97  ? 0.15329774 0.14844862 0.01970296 -0.00898396 0.00020294  -0.00299123 209 PHE   A HA    
1716 H HB2   . PHE   A 97  ? 0.15792568 0.14902604 0.02396413 -0.01162543 0.00134756  -0.00295495 209 PHE   A HB2   
1717 H HB3   . PHE   A 97  ? 0.15787686 0.14917943 0.02390685 -0.01185309 0.00132505  -0.00303264 209 PHE   A HB3   
1718 H HD1   . PHE   A 97  ? 0.18088649 0.15642469 0.01985312 -0.01365577 0.00393138  -0.00558393 209 PHE   A HD1   
1719 H HD2   . PHE   A 97  ? 0.18252097 0.15385959 0.02670549 -0.01879572 -0.00399148 -0.00266675 209 PHE   A HD2   
1720 H HE1   . PHE   A 97  ? 0.19115978 0.16173337 0.01935892 -0.01411076 0.00482538  -0.00706963 209 PHE   A HE1   
1721 H HE2   . PHE   A 97  ? 0.19222677 0.15747623 0.02518548 -0.01956099 -0.00474016 -0.00442744 209 PHE   A HE2   
1722 H HZ    . PHE   A 97  ? 0.19693911 0.15975678 0.01946735 -0.01715725 0.00196360  -0.00818110 209 PHE   A HZ    
1723 N N     . LYS   A 98  ? 0.14979292 0.15831222 0.02966958 -0.00253970 -0.00321787 -0.00184097 210 LYS   A N     
1724 C CA    . LYS   A 98  ? 0.15782374 0.17229974 0.03490357 -0.00563237 0.00132236  -0.00701416 210 LYS   A CA    
1725 C C     . LYS   A 98  ? 0.14920704 0.16673806 0.03125162 -0.00328868 0.00320158  -0.01154928 210 LYS   A C     
1726 O O     . LYS   A 98  ? 0.15175998 0.17343153 0.06756482 -0.00223393 -0.00129769 -0.03099824 210 LYS   A O     
1727 C CB    . LYS   A 98  ? 0.17687885 0.19131282 0.06652231 -0.00763025 0.00413876  0.01006394  210 LYS   A CB    
1728 C CG    . LYS   A 98  ? 0.20600978 0.22227961 0.08051663 -0.00670075 0.01470148  0.00173266  210 LYS   A CG    
1729 C CD    . LYS   A 98  ? 0.23932000 0.24156258 0.11629554 -0.01020745 0.02303577  0.01556112  210 LYS   A CD    
1730 C CE    . LYS   A 98  ? 0.25497040 0.27143359 0.15776980 -0.00892248 0.02074514  0.01451192  210 LYS   A CE    
1731 N NZ    . LYS   A 98  ? 0.28388551 0.28373408 0.18546055 -0.01176536 0.02842540  0.02043541  210 LYS   A NZ    
1732 H H     . LYS   A 98  ? 0.15094358 0.15860373 0.02885244 -0.00310577 -0.00181574 -0.00320471 210 LYS   A H     
1733 H HA    . LYS   A 98  ? 0.15713529 0.17054158 0.03634061 -0.00523775 0.00104552  -0.00456734 210 LYS   A HA    
1734 H HB2   . LYS   A 98  ? 0.17655617 0.19122693 0.06060219 -0.00656634 0.00567331  0.00538955  210 LYS   A HB2   
1735 H HB3   . LYS   A 98  ? 0.17646231 0.19067432 0.05999552 -0.00715871 0.00546101  0.00523236  210 LYS   A HB3   
1736 H HG2   . LYS   A 98  ? 0.20409442 0.21762308 0.08225700 -0.00691158 0.01400094  0.00617323  210 LYS   A HG2   
1737 H HG3   . LYS   A 98  ? 0.20411539 0.21814395 0.08227579 -0.00780696 0.01398320  0.00617287  210 LYS   A HG3   
1738 H HD2   . LYS   A 98  ? 0.23439384 0.24231523 0.11363544 -0.00966921 0.02144902  0.01369409  210 LYS   A HD2   
1739 H HD3   . LYS   A 98  ? 0.23426357 0.24160647 0.11608373 -0.00889017 0.02234439  0.01387230  210 LYS   A HD3   
1740 H HE2   . LYS   A 98  ? 0.25596556 0.26748610 0.15355277 -0.00961745 0.02224506  0.01678437  210 LYS   A HE2   
1741 H HE3   . LYS   A 98  ? 0.25474718 0.26584598 0.15465751 -0.00906401 0.02334094  0.01597333  210 LYS   A HE3   
1742 H HZ1   . LYS   A 98  ? 0.27768201 0.28078824 0.18330419 -0.01103078 0.02816189  0.01933873  210 LYS   A HZ1   
1743 H HZ2   . LYS   A 98  ? 0.27746296 0.28139043 0.17910396 -0.01188265 0.02623307  0.02073854  210 LYS   A HZ2   
1744 H HZ3   . LYS   A 98  ? 0.28039145 0.28085819 0.17927358 -0.01044568 0.02730912  0.01966321  210 LYS   A HZ3   
1745 N N     . VAL   A 99  ? 0.13939452 0.16241021 0.01796167 -0.00353175 0.00111900  -0.00727291 211 VAL   A N     
1746 C CA    . VAL   A 99  ? 0.14125772 0.16171873 0.01043955 -0.00320679 -0.00244871 -0.00464257 211 VAL   A CA    
1747 C C     . VAL   A 99  ? 0.13693821 0.15789875 0.01019225 -0.00359276 -0.00212929 -0.00410122 211 VAL   A C     
1748 O O     . VAL   A 99  ? 0.13553810 0.16661584 0.01801242 -0.00548146 -0.00197900 -0.00341844 211 VAL   A O     
1749 C CB    . VAL   A 99  ? 0.14635976 0.16446066 0.01106372 -0.00108456 -0.00607971 -0.00099379 211 VAL   A CB    
1750 C CG1   . VAL   A 99  ? 0.14753406 0.16478829 0.01052695 -0.00076870 -0.00842774 0.00227566  211 VAL   A CG1   
1751 C CG2   . VAL   A 99  ? 0.15137783 0.16643903 0.01118876 -0.00147098 -0.00837527 -0.00070956 211 VAL   A CG2   
1752 H H     . VAL   A 99  ? 0.14060737 0.16301930 0.01918077 -0.00313492 0.00100930  -0.00758306 211 VAL   A H     
1753 H HA    . VAL   A 99  ? 0.14106351 0.16168748 0.01218672 -0.00309291 -0.00233051 -0.00462557 211 VAL   A HA    
1754 H HB    . VAL   A 99  ? 0.14632569 0.16434667 0.01082658 -0.00131670 -0.00610489 -0.00106345 211 VAL   A HB    
1755 H HG11  . VAL   A 99  ? 0.14736721 0.16455907 0.01091679 -0.00094118 -0.00792440 0.00156284  211 VAL   A HG11  
1756 H HG12  . VAL   A 99  ? 0.14717226 0.16444297 0.01109584 -0.00087669 -0.00784719 0.00141585  211 VAL   A HG12  
1757 H HG13  . VAL   A 99  ? 0.14719236 0.16423897 0.01076758 -0.00081066 -0.00788967 0.00170417  211 VAL   A HG13  
1758 H HG21  . VAL   A 99  ? 0.15032052 0.16602847 0.01130302 -0.00140869 -0.00784807 -0.00079738 211 VAL   A HG21  
1759 H HG22  . VAL   A 99  ? 0.15042135 0.16603166 0.01130437 -0.00128741 -0.00779123 -0.00074988 211 VAL   A HG22  
1760 H HG23  . VAL   A 99  ? 0.15063611 0.16604041 0.01130495 -0.00155917 -0.00796748 -0.00069117 211 VAL   A HG23  
1761 N N     . ALA   A 100 ? 0.13903353 0.15544495 0.00663614 -0.00356274 -0.00117736 -0.00657741 212 ALA   A N     
1762 C CA    . ALA   A 100 ? 0.14945868 0.15721096 0.00676366 -0.00342419 0.00002697  -0.00806321 212 ALA   A CA    
1763 C C     . ALA   A 100 ? 0.15341270 0.15394400 0.00684121 -0.00371607 0.00318208  -0.00813499 212 ALA   A C     
1764 O O     . ALA   A 100 ? 0.15291689 0.16110243 0.02122916 -0.00587222 0.00880664  -0.01345059 212 ALA   A O     
1765 C CB    . ALA   A 100 ? 0.15715089 0.16008788 0.00822913 -0.00303036 -0.00717660 -0.00676083 212 ALA   A CB    
1766 H H     . ALA   A 100 ? 0.13975078 0.15613112 0.00662459 -0.00322854 -0.00074083 -0.00654746 212 ALA   A H     
1767 H HA    . ALA   A 100 ? 0.14918824 0.15693957 0.00672118 -0.00336512 -0.00031863 -0.00763371 212 ALA   A HA    
1768 H HB1   . ALA   A 100 ? 0.15619726 0.16008243 0.00686748 -0.00302332 -0.00563914 -0.00692878 212 ALA   A HB1   
1769 H HB2   . ALA   A 100 ? 0.15619555 0.15977088 0.00686253 -0.00344999 -0.00571939 -0.00678202 212 ALA   A HB2   
1770 H HB3   . ALA   A 100 ? 0.15564245 0.15971661 0.00750395 -0.00309111 -0.00542390 -0.00653353 212 ALA   A HB3   
1771 N N     . VAL   A 101 ? 0.15470035 0.15155815 0.00673783 -0.00382761 0.00305457  -0.00712774 213 VAL   A N     
1772 C CA    . VAL   A 101 ? 0.15796745 0.15303174 0.00696376 -0.00406960 0.00535232  -0.00819541 213 VAL   A CA    
1773 C C     . VAL   A 101 ? 0.16096136 0.15624771 0.00757691 -0.00404158 0.00954881  -0.01015290 213 VAL   A C     
1774 O O     . VAL   A 101 ? 0.16861159 0.16076848 0.00770828 -0.00629501 0.01287607  -0.00788812 213 VAL   A O     
1775 C CB    . VAL   A 101 ? 0.15574317 0.15355644 0.01236096 -0.00351164 0.00339782  -0.00458209 213 VAL   A CB    
1776 C CG1   . VAL   A 101 ? 0.15810093 0.15419899 0.02164456 -0.00298654 0.00051209  -0.00430003 213 VAL   A CG1   
1777 C CG2   . VAL   A 101 ? 0.15572962 0.15640852 0.01468214 -0.00358599 -0.00062107 -0.00330268 213 VAL   A CG2   
1778 H H     . VAL   A 101 ? 0.15490992 0.15235516 0.00678862 -0.00379319 0.00327817  -0.00756665 213 VAL   A H     
1779 H HA    . VAL   A 101 ? 0.15754533 0.15337549 0.00693423 -0.00392606 0.00547374  -0.00784232 213 VAL   A HA    
1780 H HB    . VAL   A 101 ? 0.15652519 0.15441729 0.01271638 -0.00325960 0.00329059  -0.00492796 213 VAL   A HB    
1781 H HG11  . VAL   A 101 ? 0.15803783 0.15395544 0.02012356 -0.00322819 0.00090620  -0.00426068 213 VAL   A HG11  
1782 H HG12  . VAL   A 101 ? 0.15770222 0.15393828 0.02137769 -0.00312533 0.00119213  -0.00431317 213 VAL   A HG12  
1783 H HG13  . VAL   A 101 ? 0.15780626 0.15403661 0.02014511 -0.00310205 0.00110225  -0.00431056 213 VAL   A HG13  
1784 H HG21  . VAL   A 101 ? 0.15577774 0.15573725 0.01431109 -0.00363818 0.00024130  -0.00357036 213 VAL   A HG21  
1785 H HG22  . VAL   A 101 ? 0.15580606 0.15570801 0.01424461 -0.00355250 0.00024696  -0.00355043 213 VAL   A HG22  
1786 H HG23  . VAL   A 101 ? 0.15603450 0.15571001 0.01445208 -0.00370588 0.00001282  -0.00347252 213 VAL   A HG23  
1787 N N     . ASN   A 102 ? 0.16361886 0.15855485 0.00661263 -0.00462347 0.00493691  -0.00450694 214 ASN   A N     
1788 C CA    . ASN   A 102 ? 0.16989067 0.15986605 0.00641462 -0.00655863 0.00205276  -0.00301949 214 ASN   A CA    
1789 C C     . ASN   A 102 ? 0.18486694 0.16550559 0.00652558 -0.00920162 0.00399380  0.00385014  214 ASN   A C     
1790 O O     . ASN   A 102 ? 0.19363861 0.17981218 0.00649823 -0.00908869 0.00451306  0.00291923  214 ASN   A O     
1791 C CB    . ASN   A 102 ? 0.16793209 0.16211811 0.00685743 -0.00359832 0.00292654  -0.00863665 214 ASN   A CB    
1792 C CG    . ASN   A 102 ? 0.16362235 0.16297770 0.00721629 -0.00203472 0.00474137  -0.01083266 214 ASN   A CG    
1793 O OD1   . ASN   A 102 ? 0.15923429 0.15975437 0.01834442 -0.00317015 0.00734604  -0.01997956 214 ASN   A OD1   
1794 N ND2   . ASN   A 102 ? 0.17112283 0.16725685 0.00897188 0.00107736  0.01235865  -0.01074405 214 ASN   A ND2   
1795 H H     . ASN   A 102 ? 0.16362855 0.15834787 0.00671347 -0.00473399 0.00565465  -0.00536397 214 ASN   A H     
1796 H HA    . ASN   A 102 ? 0.17022553 0.16060257 0.00644707 -0.00622433 0.00301830  -0.00312691 214 ASN   A HA    
1797 H HB2   . ASN   A 102 ? 0.16762266 0.16185552 0.00681144 -0.00381556 0.00324644  -0.00809396 214 ASN   A HB2   
1798 H HB3   . ASN   A 102 ? 0.16761544 0.16190521 0.00680558 -0.00381347 0.00310299  -0.00808969 214 ASN   A HB3   
1799 H HD21  . ASN   A 102 ? 0.16905166 0.16588728 0.00772897 0.00046313  0.01025310  -0.01091240 214 ASN   A HD21  
1800 H HD22  . ASN   A 102 ? 0.16919968 0.16608317 0.00774307 0.00056276  0.01013567  -0.01112564 214 ASN   A HD22  
1801 N N     . ASP   A 103 ? 0.19631839 0.16891754 0.01161724 -0.01542537 0.00135191  0.00465497  215 ASP   A N     
1802 C CA    . ASP   A 103 ? 0.21007110 0.17666912 0.02335532 -0.02004053 -0.00051432 0.00964340  215 ASP   A CA    
1803 C C     . ASP   A 103 ? 0.21459243 0.18543485 0.02523444 -0.01929378 0.00399082  0.00440096  215 ASP   A C     
1804 O O     . ASP   A 103 ? 0.23511620 0.20179464 0.05319858 -0.02531477 0.01836024  0.01897724  215 ASP   A O     
1805 C CB    . ASP   A 103 ? 0.21878193 0.18297137 0.04034955 -0.01969200 -0.01033907 0.01497456  215 ASP   A CB    
1806 C CG    . ASP   A 103 ? 0.21826923 0.19136083 0.06437571 -0.02043049 -0.01619870 0.01800289  215 ASP   A CG    
1807 O OD1   . ASP   A 103 ? 0.22119115 0.19632815 0.08508880 -0.01761986 -0.01735815 0.01225549  215 ASP   A OD1   
1808 O OD2   . ASP   A 103 ? 0.22880907 0.21135420 0.10697002 -0.03059556 -0.02848558 0.01741794  215 ASP   A OD2   
1809 H H     . ASP   A 103 ? 0.19508849 0.16915433 0.01199831 -0.01467063 0.00187763  0.00490283  215 ASP   A H     
1810 H HA    . ASP   A 103 ? 0.20940404 0.17737460 0.02442060 -0.01907234 -0.00106456 0.00880486  215 ASP   A HA    
1811 H HB2   . ASP   A 103 ? 0.21696055 0.18305643 0.04081232 -0.01963182 -0.00916198 0.01446775  215 ASP   A HB2   
1812 H HB3   . ASP   A 103 ? 0.21727517 0.18317437 0.04100392 -0.01967450 -0.00912685 0.01440751  215 ASP   A HB3   
1813 N N     . ALA   A 104 ? 0.20607132 0.18727420 0.01300106 -0.01960609 0.01069777  0.00248145  216 ALA   A N     
1814 C CA    . ALA   A 104 ? 0.20395035 0.19368504 0.01551831 -0.02135399 0.01578212  0.00144900  216 ALA   A CA    
1815 C C     . ALA   A 104 ? 0.19720198 0.19210777 0.01036496 -0.01808106 0.01956400  0.00157582  216 ALA   A C     
1816 O O     . ALA   A 104 ? 0.18872860 0.19743824 0.00829577 -0.01451223 0.01877212  -0.00392718 216 ALA   A O     
1817 C CB    . ALA   A 104 ? 0.20950839 0.19971308 0.02340564 -0.01885661 0.02074865  -0.00404364 216 ALA   A CB    
1818 H H     . ALA   A 104 ? 0.20644547 0.18695347 0.01510638 -0.01997081 0.01056836  0.00314859  216 ALA   A H     
1819 H HA    . ALA   A 104 ? 0.20395735 0.19310203 0.01568955 -0.02041916 0.01630477  0.00134295  216 ALA   A HA    
1820 H HB1   . ALA   A 104 ? 0.20881838 0.19855009 0.02329152 -0.01913936 0.02023078  -0.00266983 216 ALA   A HB1   
1821 H HB2   . ALA   A 104 ? 0.20963709 0.19949260 0.02398706 -0.01893658 0.01981838  -0.00297810 216 ALA   A HB2   
1822 H HB3   . ALA   A 104 ? 0.20874810 0.19853140 0.02225494 -0.01923919 0.01969066  -0.00281433 216 ALA   A HB3   
1823 N N     . HIS   A 105 ? 0.19169140 0.20158255 0.00938179 -0.01963811 0.01969335  0.00206340  217 HIS   A N     
1824 C CA    . HIS   A 105 ? 0.18921480 0.20327786 0.01990155 -0.01466698 0.01521606  -0.00290808 217 HIS   A CA    
1825 C C     . HIS   A 105 ? 0.18268053 0.19929005 0.01630545 -0.00893515 0.02479362  -0.00662716 217 HIS   A C     
1826 O O     . HIS   A 105 ? 0.19696707 0.21493760 0.01956757 -0.00469918 0.02971862  -0.01416354 217 HIS   A O     
1827 C CB    . HIS   A 105 ? 0.19624346 0.21492904 0.03697924 -0.02130263 0.01119101  0.00240213  217 HIS   A CB    
1828 C CG    . HIS   A 105 ? 0.20289230 0.22532344 0.04714737 -0.02447933 0.00377788  0.00722384  217 HIS   A CG    
1829 N ND1   . HIS   A 105 ? 0.21267243 0.23592322 0.06054845 -0.01864527 -0.00084141 -0.00349183 217 HIS   A ND1   
1830 C CD2   . HIS   A 105 ? 0.20846465 0.23881315 0.06635072 -0.02126300 0.00571878  0.00283020  217 HIS   A CD2   
1831 C CE1   . HIS   A 105 ? 0.21356562 0.23906696 0.06051561 -0.02095556 -0.00235511 -0.00241857 217 HIS   A CE1   
1832 N NE2   . HIS   A 105 ? 0.21082255 0.23981249 0.06897913 -0.02461261 0.00273106  0.00178473  217 HIS   A NE2   
1833 H H     . HIS   A 105 ? 0.19243853 0.19947983 0.01044230 -0.01889232 0.01923103  0.00248612  217 HIS   A H     
1834 H HA    . HIS   A 105 ? 0.18943492 0.20352665 0.02026952 -0.01531059 0.01681060  -0.00194060 217 HIS   A HA    
1835 H HB2   . HIS   A 105 ? 0.19596727 0.21482082 0.03557904 -0.02077781 0.01047009  0.00219068  217 HIS   A HB2   
1836 H HB3   . HIS   A 105 ? 0.19600585 0.21460126 0.03590040 -0.02071809 0.01023674  0.00238856  217 HIS   A HB3   
1837 H HD1   . HIS   A 105 ? 0.18036436 0.18036436 0.18036436 0.00000000  0.00000000  0.00000000  217 HIS   A HD1   
1838 H HD2   . HIS   A 105 ? 0.20783679 0.23651215 0.06286800 -0.02246305 0.00466674  0.00350806  217 HIS   A HD2   
1839 H HE1   . HIS   A 105 ? 0.21266717 0.23757766 0.06106279 -0.02083906 -0.00098004 -0.00221060 217 HIS   A HE1   
1840 H HE2   . HIS   A 105 ? 0.18440455 0.18440455 0.18440455 0.00000000  0.00000000  0.00000000  217 HIS   A HE2   
1841 N N     . LEU   A 106 ? 0.16828315 0.18575367 0.01521254 -0.00287400 0.02406363  -0.01042984 218 LEU   A N     
1842 C CA    . LEU   A 106 ? 0.16220823 0.18506195 0.02578555 0.00112665  0.01574749  -0.01259601 218 LEU   A CA    
1843 C C     . LEU   A 106 ? 0.15632747 0.18172511 0.03043311 0.00591819  0.01460350  -0.01269946 218 LEU   A C     
1844 O O     . LEU   A 106 ? 0.15575653 0.20165896 0.05120760 0.01054000  0.01405813  -0.02148766 218 LEU   A O     
1845 C CB    . LEU   A 106 ? 0.16415241 0.18401085 0.03356274 -0.00227456 0.01138932  -0.00965522 218 LEU   A CB    
1846 C CG    . LEU   A 106 ? 0.17257565 0.18401831 0.04635597 -0.00246319 0.01033894  -0.00745066 218 LEU   A CG    
1847 C CD1   . LEU   A 106 ? 0.18156901 0.18197381 0.05745631 -0.00177421 0.01029009  -0.00925517 218 LEU   A CD1   
1848 C CD2   . LEU   A 106 ? 0.17437455 0.18566677 0.05235912 -0.00343718 0.01206043  -0.00437842 218 LEU   A CD2   
1849 H H     . LEU   A 106 ? 0.16942689 0.18687117 0.01697492 -0.00261366 0.02320254  -0.01102748 218 LEU   A H     
1850 H HA    . LEU   A 106 ? 0.16286378 0.18452223 0.02598500 0.00084545  0.01645433  -0.01208623 218 LEU   A HA    
1851 H HB2   . LEU   A 106 ? 0.16450697 0.18416329 0.03404096 -0.00184655 0.01154387  -0.00992441 218 LEU   A HB2   
1852 H HB3   . LEU   A 106 ? 0.16489814 0.18417954 0.03433684 -0.00174185 0.01184289  -0.00977429 218 LEU   A HB3   
1853 H HG    . LEU   A 106 ? 0.17232773 0.18397650 0.04638692 -0.00239366 0.01068801  -0.00756314 218 LEU   A HG    
1854 H HD11  . LEU   A 106 ? 0.18030484 0.18257749 0.05521880 -0.00141762 0.01017145  -0.00907429 218 LEU   A HD11  
1855 H HD12  . LEU   A 106 ? 0.17994571 0.18261266 0.05530074 -0.00176603 0.01059973  -0.00898814 218 LEU   A HD12  
1856 H HD13  . LEU   A 106 ? 0.18030943 0.18244916 0.05561566 -0.00155287 0.01078602  -0.00869192 218 LEU   A HD13  
1857 H HD21  . LEU   A 106 ? 0.17385179 0.18536274 0.05128051 -0.00334989 0.01151503  -0.00451346 218 LEU   A HD21  
1858 H HD22  . LEU   A 106 ? 0.17430769 0.18523763 0.05137769 -0.00311827 0.01200383  -0.00488176 218 LEU   A HD22  
1859 H HD23  . LEU   A 106 ? 0.17403334 0.18530153 0.05122983 -0.00324944 0.01179374  -0.00500999 218 LEU   A HD23  
1860 N N     . LEU   A 107 ? 0.15025644 0.17591491 0.02352915 0.00651634  0.01111942  -0.00708006 219 LEU   A N     
1861 C CA    . LEU   A 107 ? 0.15070011 0.17388096 0.03034078 0.00478129  0.00768374  -0.00461414 219 LEU   A CA    
1862 C C     . LEU   A 107 ? 0.15255310 0.17285861 0.02340248 0.00316522  0.00696080  -0.00267717 219 LEU   A C     
1863 O O     . LEU   A 107 ? 0.15386908 0.16813833 0.02429992 0.00397921  0.00949651  -0.00755346 219 LEU   A O     
1864 C CB    . LEU   A 107 ? 0.15165436 0.17534862 0.02778871 0.00690534  0.00518860  -0.00399161 219 LEU   A CB    
1865 C CG    . LEU   A 107 ? 0.15025628 0.17601258 0.03289488 0.00729341  0.00259270  0.00257374  219 LEU   A CG    
1866 C CD1   . LEU   A 107 ? 0.15394461 0.17518510 0.03367958 0.00835690  0.00591841  0.00449409  219 LEU   A CD1   
1867 C CD2   . LEU   A 107 ? 0.15397005 0.17684692 0.03193521 0.00640807  0.00031280  0.00296486  219 LEU   A CD2   
1868 H H     . LEU   A 107 ? 0.15110858 0.17655489 0.02614142 0.00634151  0.01139327  -0.00779762 219 LEU   A H     
1869 H HA    . LEU   A 107 ? 0.15116420 0.17430085 0.02820241 0.00509560  0.00767764  -0.00465498 219 LEU   A HA    
1870 H HB2   . LEU   A 107 ? 0.15112709 0.17510140 0.02912679 0.00664536  0.00508818  -0.00301262 219 LEU   A HB2   
1871 H HB3   . LEU   A 107 ? 0.15129831 0.17483206 0.02913693 0.00678905  0.00528076  -0.00328402 219 LEU   A HB3   
1872 H HG    . LEU   A 107 ? 0.15084532 0.17590864 0.03194490 0.00732776  0.00286879  0.00197872  219 LEU   A HG    
1873 H HD11  . LEU   A 107 ? 0.15320233 0.17508145 0.03348625 0.00810915  0.00525712  0.00405238  219 LEU   A HD11  
1874 H HD12  . LEU   A 107 ? 0.15313587 0.17523725 0.03356830 0.00811872  0.00526799  0.00410183  219 LEU   A HD12  
1875 H HD13  . LEU   A 107 ? 0.15358984 0.17524536 0.03376504 0.00810576  0.00549796  0.00406914  219 LEU   A HD13  
1876 H HD21  . LEU   A 107 ? 0.15321259 0.17647558 0.03238406 0.00657383  0.00077519  0.00288245  219 LEU   A HD21  
1877 H HD22  . LEU   A 107 ? 0.15323405 0.17652926 0.03240765 0.00657050  0.00075275  0.00291301  219 LEU   A HD22  
1878 H HD23  . LEU   A 107 ? 0.15340832 0.17642456 0.03238757 0.00661243  0.00054185  0.00283705  219 LEU   A HD23  
1879 N N     A GLN   A 108 ? 0.15705350 0.17337593 0.02033388 0.00262363  0.00377890  -0.00269565 220 GLN   A N     
1880 N N     B GLN   A 108 ? 0.15602002 0.17334965 0.02683410 0.00271105  0.00479056  -0.00350839 220 GLN   A N     
1881 C CA    A GLN   A 108 ? 0.16366422 0.17370494 0.02350448 0.00235442  -0.00065946 -0.00158359 220 GLN   A CA    
1882 C CA    B GLN   A 108 ? 0.16273046 0.17353936 0.03296126 0.00381905  0.00200841  -0.00315973 220 GLN   A CA    
1883 C C     A GLN   A 108 ? 0.16042709 0.16956708 0.02543671 0.00416029  -0.00270877 -0.00183344 220 GLN   A C     
1884 C C     B GLN   A 108 ? 0.16082847 0.16963559 0.03239384 0.00481748  0.00082116  -0.00375566 220 GLN   A C     
1885 O O     A GLN   A 108 ? 0.16112095 0.17440507 0.02275900 0.00657063  -0.00465844 -0.00105562 220 GLN   A O     
1886 O O     B GLN   A 108 ? 0.16254424 0.17499961 0.03244511 0.00746005  -0.00107884 -0.00206649 220 GLN   A O     
1887 C CB    A GLN   A 108 ? 0.17444369 0.18160939 0.03774475 -0.00187930 -0.00169791 0.00341044  220 GLN   A CB    
1888 C CB    B GLN   A 108 ? 0.17635494 0.18081981 0.05655864 0.00090477  0.00361976  0.00166111  220 GLN   A CB    
1889 C CG    A GLN   A 108 ? 0.18824053 0.19049007 0.04631805 -0.00175498 -0.00501505 0.01003778  220 GLN   A CG    
1890 C CG    B GLN   A 108 ? 0.18332064 0.19495910 0.08251386 -0.00025875 0.00361710  0.00590598  220 GLN   A CG    
1891 C CD    A GLN   A 108 ? 0.20337629 0.19982508 0.06133615 -0.00685166 -0.00197417 0.01374083  220 GLN   A CD    
1892 C CD    B GLN   A 108 ? 0.19985959 0.20193529 0.11252329 -0.00340527 0.00252562  0.00998547  220 GLN   A CD    
1893 O OE1   A GLN   A 108 ? 0.23141639 0.21161495 0.07496426 -0.00295137 -0.00213038 0.02563089  220 GLN   A OE1   
1894 O OE1   B GLN   A 108 ? 0.21644968 0.21451309 0.13410826 -0.00679583 -0.00229470 0.02423313  220 GLN   A OE1   
1895 N NE2   A GLN   A 108 ? 0.20930085 0.21163180 0.07301088 -0.00925179 -0.00580753 0.02015375  220 GLN   A NE2   
1896 N NE2   B GLN   A 108 ? 0.20137660 0.21054712 0.13707401 -0.00774812 0.00045666  0.00663214  220 GLN   A NE2   
1897 H H     A GLN   A 108 ? 0.15717794 0.17327878 0.02167615 0.00277593  0.00367320  -0.00253588 220 GLN   A H     
1898 H H     B GLN   A 108 ? 0.15626830 0.17320776 0.02735258 0.00303134  0.00474419  -0.00334004 220 GLN   A H     
1899 H HA    A GLN   A 108 ? 0.16330035 0.17383470 0.02512539 0.00214262  -0.00021011 -0.00129107 220 GLN   A HA    
1900 H HA    B GLN   A 108 ? 0.16267934 0.17357311 0.03440325 0.00349963  0.00264763  -0.00267101 220 GLN   A HA    
1901 H HB2   A GLN   A 108 ? 0.17444344 0.18133499 0.03613000 -0.00108157 -0.00210506 0.00373859  220 GLN   A HB2   
1902 H HB2   B GLN   A 108 ? 0.17465620 0.18139881 0.05549195 0.00139618  0.00355316  0.00176038  220 GLN   A HB2   
1903 H HB3   A GLN   A 108 ? 0.17423895 0.18145998 0.03634217 -0.00095907 -0.00201877 0.00391086  220 GLN   A HB3   
1904 H HB3   B GLN   A 108 ? 0.17472556 0.18124044 0.05627180 0.00143944  0.00392424  0.00149883  220 GLN   A HB3   
1905 H HG2   A GLN   A 108 ? 0.18795462 0.19023526 0.04699906 -0.00259949 -0.00383726 0.00953085  220 GLN   A HG2   
1906 H HG2   B GLN   A 108 ? 0.18451847 0.19363524 0.08200088 -0.00047583 0.00372854  0.00628269  220 GLN   A HG2   
1907 H HG3   A GLN   A 108 ? 0.18793118 0.19043714 0.04709568 -0.00263108 -0.00379141 0.00952553  220 GLN   A HG3   
1908 H HG3   B GLN   A 108 ? 0.18500520 0.19442208 0.08218158 -0.00045755 0.00385431  0.00623808  220 GLN   A HG3   
1909 H HE21  A GLN   A 108 ? 0.20789413 0.20941515 0.07115157 -0.00869862 -0.00463322 0.01835605  220 GLN   A HE21  
1910 H HE21  B GLN   A 108 ? 0.20132628 0.20968027 0.13343130 -0.00725995 0.00219269  0.00638965  220 GLN   A HE21  
1911 H HE22  A GLN   A 108 ? 0.20812762 0.20962268 0.07056385 -0.00839988 -0.00480458 0.01839134  220 GLN   A HE22  
1912 H HE22  B GLN   A 108 ? 0.20115426 0.20954877 0.13226907 -0.00668516 0.00165745  0.00712605  220 GLN   A HE22  
1913 N N     . TYR   A 109 ? 0.15760590 0.16433266 0.02134426 0.00502191  -0.00520927 0.00115522  221 TYR   A N     
1914 C CA    . TYR   A 109 ? 0.15876785 0.16088177 0.02132363 0.00370554  -0.00666515 0.00056218  221 TYR   A CA    
1915 C C     . TYR   A 109 ? 0.15746394 0.15779206 0.02419751 0.00263900  -0.00728521 0.00353922  221 TYR   A C     
1916 O O     . TYR   A 109 ? 0.15715852 0.15409474 0.03289112 0.00531209  -0.01023973 0.00423057  221 TYR   A O     
1917 C CB    . TYR   A 109 ? 0.16088994 0.15991803 0.01466998 0.00257213  -0.00921267 0.00052895  221 TYR   A CB    
1918 C CG    . TYR   A 109 ? 0.15819374 0.15870297 0.01138110 -0.00042412 -0.00794951 -0.00163769 221 TYR   A CG    
1919 C CD1   . TYR   A 109 ? 0.15976855 0.15857670 0.01022897 -0.00118957 -0.00682994 -0.00244281 221 TYR   A CD1   
1920 C CD2   . TYR   A 109 ? 0.16085406 0.15672958 0.01042550 0.00200880  -0.00727560 0.00042339  221 TYR   A CD2   
1921 C CE1   . TYR   A 109 ? 0.16034523 0.15876201 0.00809873 0.00017250  -0.00478759 -0.00366655 221 TYR   A CE1   
1922 C CE2   . TYR   A 109 ? 0.16082546 0.15693925 0.00912686 0.00122939  -0.00528869 0.00023274  221 TYR   A CE2   
1923 C CZ    . TYR   A 109 ? 0.15770929 0.15801123 0.00652549 0.00255896  -0.00539695 0.00018438  221 TYR   A CZ    
1924 O OH    . TYR   A 109 ? 0.15634297 0.15908675 0.00958625 0.00247143  -0.00422381 0.00697847  221 TYR   A OH    
1925 H H     . TYR   A 109 ? 0.15831587 0.16504052 0.02396939 0.00512640  -0.00399399 -0.00009618 221 TYR   A H     
1926 H HA    . TYR   A 109 ? 0.15871456 0.16100958 0.02092676 0.00368256  -0.00685572 0.00106812  221 TYR   A HA    
1927 H HB2   . TYR   A 109 ? 0.16006169 0.15978885 0.01555243 0.00216712  -0.00845519 0.00013464  221 TYR   A HB2   
1928 H HB3   . TYR   A 109 ? 0.16013965 0.15978189 0.01556343 0.00210025  -0.00848212 0.00011267  221 TYR   A HB3   
1929 H HD1   . TYR   A 109 ? 0.15960893 0.15852605 0.01047827 -0.00077655 -0.00664454 -0.00243729 221 TYR   A HD1   
1930 H HD2   . TYR   A 109 ? 0.16024925 0.15682620 0.01049482 0.00165649  -0.00697784 -0.00000336 221 TYR   A HD2   
1931 H HE1   . TYR   A 109 ? 0.15981463 0.15870722 0.00790114 0.00026344  -0.00531405 -0.00257449 221 TYR   A HE1   
1932 H HE2   . TYR   A 109 ? 0.16026966 0.15702343 0.00877562 0.00156637  -0.00578124 0.00037617  221 TYR   A HE2   
1933 H HH    . TYR   A 109 ? 0.10933822 0.10933822 0.10933822 0.00000000  0.00000000  0.00000000  221 TYR   A HH    
1934 N N     . ASN   A 110 ? 0.15738639 0.16058365 0.02794806 0.00143274  -0.00561109 0.00422314  222 ASN   A N     
1935 C CA    . ASN   A 110 ? 0.16825324 0.16398332 0.03898822 -0.00283101 -0.00397668 0.00467502  222 ASN   A CA    
1936 C C     . ASN   A 110 ? 0.15948258 0.15615377 0.03434083 -0.00676329 -0.00750696 0.00419651  222 ASN   A C     
1937 O O     . ASN   A 110 ? 0.16521174 0.15383403 0.03373072 -0.00268639 -0.00043692 0.00377460  222 ASN   A O     
1938 C CB    . ASN   A 110 ? 0.17795676 0.18391398 0.07380296 -0.00290794 -0.00806347 0.00496246  222 ASN   A CB    
1939 C CG    . ASN   A 110 ? 0.20513760 0.22103478 0.10975471 -0.00588710 0.01351848  0.01517028  222 ASN   A CG    
1940 O OD1   . ASN   A 110 ? 0.23516658 0.25582123 0.13910177 0.00416993  0.01470946  0.03076760  222 ASN   A OD1   
1941 N ND2   . ASN   A 110 ? 0.21470395 0.24322988 0.14831626 -0.00013713 0.02017165  0.01594774  222 ASN   A ND2   
1942 H H     . ASN   A 110 ? 0.15888853 0.16054811 0.02947114 0.00136071  -0.00545929 0.00396045  222 ASN   A H     
1943 H HA    . ASN   A 110 ? 0.16601443 0.16398230 0.04022028 -0.00292588 -0.00509446 0.00471587  222 ASN   A HA    
1944 H HB2   . ASN   A 110 ? 0.17890584 0.18364011 0.06953382 -0.00314747 -0.00348964 0.00626070  222 ASN   A HB2   
1945 H HB3   . ASN   A 110 ? 0.17916858 0.18382967 0.06920229 -0.00303978 -0.00371069 0.00608693  222 ASN   A HB3   
1946 H HD21  . ASN   A 110 ? 0.21318921 0.23659614 0.13968579 -0.00325911 0.01995792  0.01328115  222 ASN   A HD21  
1947 H HD22  . ASN   A 110 ? 0.21406990 0.23649111 0.14071444 -0.00168431 0.01590075  0.01504158  222 ASN   A HD22  
1948 N N     . HIS   A 111 ? 0.15003061 0.15240857 0.02331744 -0.01010232 -0.00650437 0.00791209  223 HIS   A N     
1949 C CA    . HIS   A 111 ? 0.15014720 0.15417752 0.02183745 -0.01291611 -0.00625753 0.00693604  223 HIS   A CA    
1950 C C     . HIS   A 111 ? 0.15543932 0.15879944 0.02445866 -0.01368670 -0.01039414 0.00735631  223 HIS   A C     
1951 O O     . HIS   A 111 ? 0.16510436 0.17356668 0.03902646 -0.02144359 -0.02192401 0.02086253  223 HIS   A O     
1952 C CB    . HIS   A 111 ? 0.14648773 0.15082169 0.01726078 -0.01400976 -0.00234837 0.00489485  223 HIS   A CB    
1953 C CG    . HIS   A 111 ? 0.14439830 0.14412764 0.01472842 -0.01062690 -0.00000764 0.00116087  223 HIS   A CG    
1954 N ND1   . HIS   A 111 ? 0.14680462 0.14281639 0.01976670 -0.01026555 -0.00170407 0.00167036  223 HIS   A ND1   
1955 C CD2   . HIS   A 111 ? 0.14251545 0.14033915 0.01252641 -0.01086843 0.00378162  -0.00079566 223 HIS   A CD2   
1956 C CE1   . HIS   A 111 ? 0.14475068 0.14361200 0.01808363 -0.01036444 -0.00158103 0.00147458  223 HIS   A CE1   
1957 N NE2   . HIS   A 111 ? 0.14404707 0.14084317 0.01266086 -0.00971872 0.00163560  -0.00342377 223 HIS   A NE2   
1958 H H     . HIS   A 111 ? 0.15181369 0.15233693 0.02486364 -0.01001064 -0.00645265 0.00771476  223 HIS   A H     
1959 H HA    . HIS   A 111 ? 0.15025140 0.15401322 0.02188388 -0.01276866 -0.00622552 0.00675437  223 HIS   A HA    
1960 H HB2   . HIS   A 111 ? 0.14645569 0.14983548 0.01762630 -0.01335691 -0.00246586 0.00454890  223 HIS   A HB2   
1961 H HB3   . HIS   A 111 ? 0.14653076 0.14995912 0.01757401 -0.01322570 -0.00229690 0.00447759  223 HIS   A HB3   
1962 H HD1   . HIS   A 111 ? 0.10626059 0.10626059 0.10626059 0.00000000  0.00000000  0.00000000  223 HIS   A HD1   
1963 H HD2   . HIS   A 111 ? 0.14306113 0.14078665 0.01317975 -0.01096168 0.00278262  -0.00077895 223 HIS   A HD2   
1964 H HE1   . HIS   A 111 ? 0.14482711 0.14292105 0.01742866 -0.01022784 -0.00099529 0.00063673  223 HIS   A HE1   
1965 H HE2   . HIS   A 111 ? 0.09900346 0.09900346 0.09900346 0.00000000  0.00000000  0.00000000  223 HIS   A HE2   
1966 N N     . ARG   A 112 ? 0.15485904 0.15828326 0.01649657 -0.01216272 -0.00828134 0.00307759  224 ARG   A N     
1967 C CA    . ARG   A 112 ? 0.15636536 0.16010115 0.01466651 -0.00772763 -0.00837017 -0.00388829 224 ARG   A CA    
1968 C C     . ARG   A 112 ? 0.16284245 0.16434780 0.01733609 -0.00504691 -0.00911281 -0.01013823 224 ARG   A C     
1969 O O     . ARG   A 112 ? 0.16553362 0.17730388 0.02735929 -0.00454066 -0.00929664 -0.02184383 224 ARG   A O     
1970 C CB    . ARG   A 112 ? 0.15292202 0.15878600 0.01932935 -0.00424092 -0.00715991 -0.00388796 224 ARG   A CB    
1971 C CG    . ARG   A 112 ? 0.15193056 0.15800717 0.02423695 -0.00207344 -0.00375922 -0.00252256 224 ARG   A CG    
1972 C CD    . ARG   A 112 ? 0.15166861 0.15963733 0.02765702 -0.00046856 0.00012460  0.00015478  224 ARG   A CD    
1973 N NE    . ARG   A 112 ? 0.15309243 0.16230649 0.02629875 0.00299487  0.00238711  0.00308852  224 ARG   A NE    
1974 C CZ    . ARG   A 112 ? 0.15346122 0.16197453 0.03022819 0.00755438  0.00458416  0.00150353  224 ARG   A CZ    
1975 N NH1   . ARG   A 112 ? 0.15584382 0.16487125 0.02929386 0.00341453  -0.00041846 0.00191002  224 ARG   A NH1   
1976 N NH2   . ARG   A 112 ? 0.16002807 0.16236189 0.03132232 0.00827958  0.00813748  0.00224640  224 ARG   A NH2   
1977 H H     . ARG   A 112 ? 0.15491082 0.15855667 0.01783836 -0.01171512 -0.00866894 0.00248276  224 ARG   A H     
1978 H HA    . ARG   A 112 ? 0.15654343 0.16021450 0.01636929 -0.00774690 -0.00834632 -0.00345013 224 ARG   A HA    
1979 H HB2   . ARG   A 112 ? 0.15321493 0.15882538 0.01938357 -0.00444300 -0.00682935 -0.00361582 224 ARG   A HB2   
1980 H HB3   . ARG   A 112 ? 0.15313119 0.15882228 0.01933207 -0.00438581 -0.00703195 -0.00354421 224 ARG   A HB3   
1981 H HG2   . ARG   A 112 ? 0.15202142 0.15835546 0.02410192 -0.00213609 -0.00376169 -0.00234752 224 ARG   A HG2   
1982 H HG3   . ARG   A 112 ? 0.15205437 0.15837632 0.02426600 -0.00213527 -0.00379663 -0.00230934 224 ARG   A HG3   
1983 H HD2   . ARG   A 112 ? 0.15160434 0.15956137 0.02647559 -0.00007260 -0.00000298 0.00020570  224 ARG   A HD2   
1984 H HD3   . ARG   A 112 ? 0.15192018 0.15967160 0.02709524 -0.00010417 0.00014554  0.00020718  224 ARG   A HD3   
1985 H HE    . ARG   A 112 ? 0.15300174 0.16133396 0.02665316 0.00312813  0.00261650  0.00275955  224 ARG   A HE    
1986 H HH11  . ARG   A 112 ? 0.15529074 0.16442850 0.02978813 0.00433617  0.00084879  0.00185530  224 ARG   A HH11  
1987 H HH12  . ARG   A 112 ? 0.15519811 0.16409379 0.03011023 0.00420506  0.00070526  0.00195122  224 ARG   A HH12  
1988 H HH21  . ARG   A 112 ? 0.15832317 0.16219865 0.03116823 0.00801887  0.00713908  0.00208314  224 ARG   A HH21  
1989 H HH22  . ARG   A 112 ? 0.15831932 0.16209631 0.03122976 0.00798941  0.00719954  0.00220371  224 ARG   A HH22  
1990 N N     . VAL   A 113 ? 0.16546135 0.16678190 0.01264910 -0.00474649 -0.00461954 -0.01337701 225 VAL   A N     
1991 C CA    . VAL   A 113 ? 0.16939600 0.16682015 0.00780404 -0.00084387 -0.00785083 -0.01209213 225 VAL   A CA    
1992 C C     . VAL   A 113 ? 0.17300737 0.16967817 0.00915460 -0.00198286 -0.00756051 -0.00427602 225 VAL   A C     
1993 O O     . VAL   A 113 ? 0.19587372 0.17698082 0.01408362 0.00524309  -0.01965255 -0.00921985 225 VAL   A O     
1994 C CB    . VAL   A 113 ? 0.17025346 0.17171778 0.01713927 -0.00034765 -0.00401524 -0.01466335 225 VAL   A CB    
1995 C CG1   . VAL   A 113 ? 0.17166831 0.17606761 0.02270117 0.00045515  -0.00283436 -0.01830270 225 VAL   A CG1   
1996 C CG2   . VAL   A 113 ? 0.17431206 0.17189282 0.01933752 -0.00176430 -0.00076403 -0.01307246 225 VAL   A CG2   
1997 H H     . VAL   A 113 ? 0.16543901 0.16608916 0.01279146 -0.00432440 -0.00613777 -0.01236043 225 VAL   A H     
1998 H HA    . VAL   A 113 ? 0.16874689 0.16774544 0.00852397 -0.00172252 -0.00817490 -0.01167841 225 VAL   A HA    
1999 H HB    . VAL   A 113 ? 0.17063150 0.17144790 0.01723647 -0.00050425 -0.00412506 -0.01459297 225 VAL   A HB    
2000 H HG11  . VAL   A 113 ? 0.17135711 0.17516950 0.02251413 0.00027937  -0.00299360 -0.01756217 225 VAL   A HG11  
2001 H HG12  . VAL   A 113 ? 0.17138025 0.17558810 0.02190377 0.00013093  -0.00300437 -0.01783129 225 VAL   A HG12  
2002 H HG13  . VAL   A 113 ? 0.17151059 0.17523710 0.02174484 0.00038309  -0.00309558 -0.01759109 225 VAL   A HG13  
2003 H HG21  . VAL   A 113 ? 0.17324127 0.17160505 0.01909949 -0.00137766 -0.00147898 -0.01332465 225 VAL   A HG21  
2004 H HG22  . VAL   A 113 ? 0.17341089 0.17177716 0.01918937 -0.00155807 -0.00155158 -0.01328113 225 VAL   A HG22  
2005 H HG23  . VAL   A 113 ? 0.17343998 0.17175823 0.01993737 -0.00143848 -0.00128269 -0.01326077 225 VAL   A HG23  
2006 N N     . LYS   A 114 ? 0.16851494 0.16549417 0.02378345 -0.00580157 -0.00349202 -0.00109146 226 LYS   A N     
2007 C CA    . LYS   A 114 ? 0.17313814 0.17187276 0.03850286 -0.00684763 0.00455365  0.00747415  226 LYS   A CA    
2008 C C     . LYS   A 114 ? 0.16493684 0.16286874 0.03278621 -0.01488870 0.00014368  0.00541769  226 LYS   A C     
2009 O O     . LYS   A 114 ? 0.16971990 0.15821439 0.04963224 -0.01567762 0.01009143  0.01122615  226 LYS   A O     
2010 C CB    . LYS   A 114 ? 0.17504552 0.17996767 0.06554879 -0.00709216 0.00834114  0.01490130  226 LYS   A CB    
2011 C CG    . LYS   A 114 ? 0.18682639 0.19510777 0.08545374 0.00250329  0.01291223  0.02003247  226 LYS   A CG    
2012 C CD    . LYS   A 114 ? 0.18869932 0.20439661 0.08636676 0.00155696  0.01962885  0.03228326  226 LYS   A CD    
2013 C CE    . LYS   A 114 ? 0.19018167 0.20642778 0.07874168 0.00675974  0.02496566  0.03819957  226 LYS   A CE    
2014 N NZ    . LYS   A 114 ? 0.18248115 0.20735711 0.07760315 0.00750944  0.02832409  0.04046091  226 LYS   A NZ    
2015 H H     . LYS   A 114 ? 0.16993122 0.16743854 0.02381445 -0.00519486 -0.00311620 -0.00035033 226 LYS   A H     
2016 H HA    . LYS   A 114 ? 0.17141259 0.17036638 0.03842749 -0.00767513 0.00311822  0.00675902  226 LYS   A HA    
2017 H HB2   . LYS   A 114 ? 0.17623608 0.18007028 0.06519849 -0.00544817 0.00849042  0.01462086  226 LYS   A HB2   
2018 H HB3   . LYS   A 114 ? 0.17623438 0.17996942 0.06307312 -0.00544859 0.00848217  0.01462276  226 LYS   A HB3   
2019 H HG2   . LYS   A 114 ? 0.18431652 0.19321695 0.08364169 0.00073796  0.01364530  0.02154930  226 LYS   A HG2   
2020 H HG3   . LYS   A 114 ? 0.18436892 0.19456534 0.08183716 0.00065431  0.01339302  0.02041651  226 LYS   A HG3   
2021 H HD2   . LYS   A 114 ? 0.18850644 0.20317112 0.08633230 0.00285515  0.01963847  0.03154419  226 LYS   A HD2   
2022 H HD3   . LYS   A 114 ? 0.18847522 0.20326561 0.08548184 0.00284268  0.01956913  0.03131668  226 LYS   A HD3   
2023 H HE2   . LYS   A 114 ? 0.18886772 0.20619421 0.07983868 0.00608190  0.02465822  0.03775293  226 LYS   A HE2   
2024 H HE3   . LYS   A 114 ? 0.18932101 0.20644622 0.07991944 0.00631046  0.02492238  0.03789385  226 LYS   A HE3   
2025 H HZ1   . LYS   A 114 ? 0.18395929 0.20677330 0.07812762 0.00740175  0.02734252  0.03962533  226 LYS   A HZ1   
2026 H HZ2   . LYS   A 114 ? 0.18402143 0.20672196 0.07806709 0.00741930  0.02744075  0.03982741  226 LYS   A HZ2   
2027 H HZ3   . LYS   A 114 ? 0.18377715 0.20675620 0.07807539 0.00767066  0.02753522  0.03973035  226 LYS   A HZ3   
2028 N N     . LYS   A 115 ? 0.16283657 0.16402444 0.02951249 -0.01826520 -0.00224194 0.00465452  227 LYS   A N     
2029 C CA    . LYS   A 115 ? 0.16249010 0.17117606 0.03693752 -0.01857781 -0.00458754 0.00009139  227 LYS   A CA    
2030 C C     . LYS   A 115 ? 0.15930115 0.16677220 0.02533482 -0.01775064 0.00018589  0.00106524  227 LYS   A C     
2031 O O     . LYS   A 115 ? 0.15520172 0.15596542 0.02130488 -0.01487196 -0.00115866 0.00184408  227 LYS   A O     
2032 C CB    . LYS   A 115 ? 0.17084718 0.19176503 0.03784934 -0.02078287 -0.00352121 -0.00276249 227 LYS   A CB    
2033 C CG    . LYS   A 115 ? 0.17973617 0.21251723 0.05809725 -0.02554400 -0.01247448 -0.00838902 227 LYS   A CG    
2034 C CD    . LYS   A 115 ? 0.19654004 0.23763683 0.06035535 -0.03270102 -0.01119782 -0.01031099 227 LYS   A CD    
2035 C CE    . LYS   A 115 ? 0.21024197 0.25783762 0.09309260 -0.04160707 -0.01845525 -0.02046201 227 LYS   A CE    
2036 N NZ    . LYS   A 115 ? 0.22693700 0.28393587 0.10361283 -0.04271108 -0.01110755 -0.02464132 227 LYS   A NZ    
2037 H H     . LYS   A 115 ? 0.16338560 0.16469088 0.03147667 -0.01721165 -0.00230509 0.00435557  227 LYS   A H     
2038 H HA    . LYS   A 115 ? 0.16320524 0.17153743 0.03387574 -0.01863695 -0.00307653 0.00080002  227 LYS   A HA    
2039 H HB2   . LYS   A 115 ? 0.17038545 0.19086871 0.04133278 -0.02098779 -0.00507278 -0.00320752 227 LYS   A HB2   
2040 H HB3   . LYS   A 115 ? 0.17028439 0.19056064 0.04127250 -0.02096447 -0.00506521 -0.00316653 227 LYS   A HB3   
2041 H HG2   . LYS   A 115 ? 0.18060011 0.21256968 0.05404212 -0.02551241 -0.01012813 -0.00737867 227 LYS   A HG2   
2042 H HG3   . LYS   A 115 ? 0.18053308 0.21195182 0.05384201 -0.02546994 -0.01009406 -0.00721641 227 LYS   A HG3   
2043 H HD2   . LYS   A 115 ? 0.19518873 0.23571041 0.06504387 -0.03231697 -0.01243424 -0.01149368 227 LYS   A HD2   
2044 H HD3   . LYS   A 115 ? 0.19553305 0.23566753 0.06541894 -0.03266527 -0.01267629 -0.01129869 227 LYS   A HD3   
2045 H HE2   . LYS   A 115 ? 0.21006414 0.25819257 0.08747665 -0.03954768 -0.01535285 -0.01896912 227 LYS   A HE2   
2046 H HE3   . LYS   A 115 ? 0.21085611 0.25799304 0.08767066 -0.04001531 -0.01541600 -0.01880702 227 LYS   A HE3   
2047 H HZ1   . LYS   A 115 ? 0.22449782 0.27862704 0.10122196 -0.04293964 -0.01249619 -0.02354117 227 LYS   A HZ1   
2048 H HZ2   . LYS   A 115 ? 0.22321565 0.28026760 0.10150464 -0.04208763 -0.01243967 -0.02436397 227 LYS   A HZ2   
2049 H HZ3   . LYS   A 115 ? 0.22448280 0.27891505 0.10190166 -0.04140731 -0.01142332 -0.02297174 227 LYS   A HZ3   
2050 N N     . LEU   A 116 ? 0.15796483 0.16804552 0.02129707 -0.01897237 0.00170281  -0.00283425 228 LEU   A N     
2051 C CA    . LEU   A 116 ? 0.16158466 0.17334074 0.02939429 -0.01700490 -0.00163876 -0.00644232 228 LEU   A CA    
2052 C C     . LEU   A 116 ? 0.16400665 0.16281049 0.02318570 -0.01295567 -0.00082684 -0.00013635 228 LEU   A C     
2053 O O     . LEU   A 116 ? 0.15380803 0.15848486 0.02330673 -0.01007336 -0.00388917 0.00227578  228 LEU   A O     
2054 C CB    . LEU   A 116 ? 0.16943237 0.19905300 0.03286917 -0.01396019 0.00714269  -0.00278466 228 LEU   A CB    
2055 C CG    . LEU   A 116 ? 0.17242323 0.19794714 0.02746091 -0.01403213 0.00911316  -0.00110523 228 LEU   A CG    
2056 C CD1   . LEU   A 116 ? 0.17773989 0.20048571 0.03086062 -0.01389529 0.00754849  0.00290526  228 LEU   A CD1   
2057 C CD2   . LEU   A 116 ? 0.17921276 0.19905105 0.03462826 -0.01505531 0.01281626  -0.00224188 228 LEU   A CD2   
2058 H H     . LEU   A 116 ? 0.15846652 0.16865416 0.02392140 -0.01887068 0.00099174  -0.00237643 228 LEU   A H     
2059 H HA    . LEU   A 116 ? 0.16237271 0.17321044 0.02767250 -0.01594158 0.00056582  -0.00416407 228 LEU   A HA    
2060 H HB2   . LEU   A 116 ? 0.16861044 0.19574341 0.03157889 -0.01445653 0.00625270  -0.00276935 228 LEU   A HB2   
2061 H HB3   . LEU   A 116 ? 0.16927591 0.19430545 0.03215209 -0.01380574 0.00688220  -0.00251973 228 LEU   A HB3   
2062 H HG    . LEU   A 116 ? 0.17303321 0.19813447 0.02933653 -0.01427153 0.00872380  -0.00111296 228 LEU   A HG    
2063 H HD11  . LEU   A 116 ? 0.17670700 0.20017287 0.03024745 -0.01395245 0.00788465  0.00214415  228 LEU   A HD11  
2064 H HD12  . LEU   A 116 ? 0.17719090 0.19994828 0.03033046 -0.01399029 0.00768257  0.00215227  228 LEU   A HD12  
2065 H HD13  . LEU   A 116 ? 0.17693502 0.20001355 0.03044597 -0.01377755 0.00809540  0.00224884  228 LEU   A HD13  
2066 H HD21  . LEU   A 116 ? 0.17763555 0.19854052 0.03447613 -0.01472592 0.01189670  -0.00223089 228 LEU   A HD21  
2067 H HD22  . LEU   A 116 ? 0.17812721 0.19882746 0.03382623 -0.01451465 0.01232248  -0.00172926 228 LEU   A HD22  
2068 H HD23  . LEU   A 116 ? 0.17813796 0.19869438 0.03363246 -0.01477072 0.01189620  -0.00189603 228 LEU   A HD23  
2069 N N     . ASN   A 117 ? 0.17861278 0.16045316 0.03656346 -0.00909068 -0.00147059 -0.00151136 229 ASN   A N     
2070 C CA    . ASN   A 117 ? 0.18971381 0.17033271 0.05070384 -0.00298767 0.00582563  0.00243333  229 ASN   A CA    
2071 C C     . ASN   A 117 ? 0.17574060 0.15848787 0.04099261 0.00427836  0.00548736  -0.00218750 229 ASN   A C     
2072 O O     . ASN   A 117 ? 0.17826967 0.17484573 0.04962821 0.01559415  0.00414148  0.00309317  229 ASN   A O     
2073 C CB    . ASN   A 117 ? 0.22620746 0.17644346 0.09695083 -0.00236528 0.01585713  0.00010824  229 ASN   A CB    
2074 C CG    . ASN   A 117 ? 0.26437321 0.20628105 0.11474711 -0.00723695 0.00527820  -0.01283635 229 ASN   A CG    
2075 O OD1   . ASN   A 117 ? 0.29360759 0.23214805 0.17679483 -0.00920602 -0.01290892 -0.01418784 229 ASN   A OD1   
2076 N ND2   . ASN   A 117 ? 0.29616261 0.24410999 0.13483387 0.00014877  0.01800120  -0.01833703 229 ASN   A ND2   
2077 H H     . ASN   A 117 ? 0.17679568 0.16264033 0.03602836 -0.00912066 -0.00002156 -0.00069515 229 ASN   A H     
2078 H HA    . ASN   A 117 ? 0.18857792 0.16739227 0.05081644 -0.00234288 0.00607339  0.00106310  229 ASN   A HA    
2079 H HB2   . ASN   A 117 ? 0.22407448 0.17997770 0.08918841 -0.00254155 0.01258811  -0.00041553 229 ASN   A HB2   
2080 H HB3   . ASN   A 117 ? 0.22332814 0.17971405 0.08912553 -0.00227532 0.01251220  -0.00045197 229 ASN   A HB3   
2081 H HD21  . ASN   A 117 ? 0.29100990 0.23336175 0.12967923 -0.00237459 0.01635638  -0.01607444 229 ASN   A HD21  
2082 H HD22  . ASN   A 117 ? 0.28941774 0.23365884 0.13406061 -0.00135031 0.01757353  -0.01613683 229 ASN   A HD22  
2083 N N     . GLU   A 118 ? 0.16017061 0.15096013 0.02186711 0.00133137  0.00707705  -0.00548763 230 GLU   A N     
2084 C CA    . GLU   A 118 ? 0.15683049 0.14572647 0.02452826 -0.00015085 0.00631709  -0.00768140 230 GLU   A CA    
2085 C C     . GLU   A 118 ? 0.14685377 0.14165306 0.01467593 0.00230940  0.00428122  -0.00407950 230 GLU   A C     
2086 O O     . GLU   A 118 ? 0.14275117 0.13864098 0.00693739 0.00366168  0.00560955  -0.00688266 230 GLU   A O     
2087 C CB    . GLU   A 118 ? 0.16176501 0.15130167 0.02717767 -0.00260911 0.00361913  -0.01157378 230 GLU   A CB    
2088 C CG    . GLU   A 118 ? 0.17365204 0.15658234 0.03972879 -0.00789712 0.00212363  -0.01712756 230 GLU   A CG    
2089 C CD    . GLU   A 118 ? 0.18389386 0.16702785 0.04047667 -0.01135717 -0.00081549 -0.02508667 230 GLU   A CD    
2090 O OE1   . GLU   A 118 ? 0.19100864 0.17162548 0.03467060 -0.00891288 -0.00521548 -0.03290833 230 GLU   A OE1   
2091 O OE2   . GLU   A 118 ? 0.20926006 0.17347363 0.06837100 -0.01528610 -0.00546314 -0.03565888 230 GLU   A OE2   
2092 H H     . GLU   A 118 ? 0.16088474 0.15148050 0.02576523 0.00156355  0.00686370  -0.00521953 230 GLU   A H     
2093 H HA    . GLU   A 118 ? 0.15648991 0.14674249 0.02312735 0.00020682  0.00568659  -0.00720412 230 GLU   A HA    
2094 H HB2   . GLU   A 118 ? 0.16238914 0.15101628 0.02875417 -0.00281617 0.00416393  -0.01168155 230 GLU   A HB2   
2095 H HB3   . GLU   A 118 ? 0.16258018 0.15088731 0.02856992 -0.00287507 0.00409104  -0.01159318 230 GLU   A HB3   
2096 H HG2   . GLU   A 118 ? 0.17329763 0.15730594 0.03746761 -0.00755906 0.00181076  -0.01732389 230 GLU   A HG2   
2097 H HG3   . GLU   A 118 ? 0.17306167 0.15727270 0.03744313 -0.00744185 0.00186431  -0.01731523 230 GLU   A HG3   
2098 N N     . ILE   A 119 ? 0.14456394 0.13823205 0.01365767 0.00461678  0.00345233  -0.00116160 231 ILE   A N     
2099 C CA    . ILE   A 119 ? 0.14405149 0.13759944 0.00875774 0.00665645  0.00305824  0.00026124  231 ILE   A CA    
2100 C C     . ILE   A 119 ? 0.14435425 0.14301834 0.01437476 0.00741743  -0.00056661 -0.00136181 231 ILE   A C     
2101 O O     . ILE   A 119 ? 0.14629154 0.15554377 0.01574574 0.00997443  -0.00063551 0.00298216  231 ILE   A O     
2102 C CB    . ILE   A 119 ? 0.14789279 0.13930881 0.01119966 0.01026734  0.00515164  -0.00097533 231 ILE   A CB    
2103 C CG1   . ILE   A 119 ? 0.14715761 0.13943368 0.01160052 0.01261678  0.00916093  -0.00201535 231 ILE   A CG1   
2104 C CG2   . ILE   A 119 ? 0.15037008 0.14082071 0.01649410 0.00889848  0.00296802  -0.00001427 231 ILE   A CG2   
2105 C CD1   . ILE   A 119 ? 0.14836207 0.14051782 0.01250145 0.01523573  0.01031611  -0.00133843 231 ILE   A CD1   
2106 H H     . ILE   A 119 ? 0.14528507 0.13881715 0.01314665 0.00434310  0.00371042  -0.00144665 231 ILE   A H     
2107 H HA    . ILE   A 119 ? 0.14470124 0.13800478 0.01030638 0.00704505  0.00270465  0.00031108  231 ILE   A HA    
2108 H HB    . ILE   A 119 ? 0.14749506 0.13923082 0.01166883 0.00998395  0.00510582  -0.00078964 231 ILE   A HB    
2109 H HG12  . ILE   A 119 ? 0.14742720 0.13952166 0.01191672 0.01258291  0.00858936  -0.00183969 231 ILE   A HG12  
2110 H HG13  . ILE   A 119 ? 0.14739653 0.13935909 0.01185159 0.01252161  0.00852537  -0.00182456 231 ILE   A HG13  
2111 H HG21  . ILE   A 119 ? 0.15016021 0.14037886 0.01621283 0.00916015  0.00300795  -0.00026326 231 ILE   A HG21  
2112 H HG22  . ILE   A 119 ? 0.14984088 0.14043933 0.01574662 0.00915648  0.00339923  -0.00041645 231 ILE   A HG22  
2113 H HG23  . ILE   A 119 ? 0.14991486 0.14044093 0.01566795 0.00916825  0.00339574  -0.00031416 231 ILE   A HG23  
2114 H HD11  . ILE   A 119 ? 0.14815927 0.14032651 0.01257321 0.01451264  0.00999427  -0.00136577 231 ILE   A HD11  
2115 H HD12  . ILE   A 119 ? 0.14824641 0.14025432 0.01254597 0.01464265  0.01010934  -0.00139197 231 ILE   A HD12  
2116 H HD13  . ILE   A 119 ? 0.14811477 0.14034396 0.01260396 0.01459564  0.00999130  -0.00131090 231 ILE   A HD13  
2117 N N     . SER   A 120 ? 0.14030275 0.14926451 0.02062527 0.00526068  -0.00025793 -0.00523932 232 SER   A N     
2118 C CA    . SER   A 120 ? 0.13935664 0.15319553 0.02231112 0.00644536  0.00068115  -0.01219544 232 SER   A CA    
2119 C C     . SER   A 120 ? 0.13456865 0.16171539 0.01574762 0.00315757  0.00031427  -0.01603351 232 SER   A C     
2120 O O     . SER   A 120 ? 0.13272934 0.16567695 0.02410655 0.00264671  0.00716371  -0.02339589 232 SER   A O     
2121 C CB    . SER   A 120 ? 0.14192140 0.15206601 0.02491774 0.00822950  0.00106170  -0.01317891 232 SER   A CB    
2122 O OG    . SER   A 120 ? 0.14797963 0.15212947 0.03135095 0.00647056  -0.00269347 -0.01348759 232 SER   A OG    
2123 H H     . SER   A 120 ? 0.14096305 0.14871551 0.01994062 0.00577244  -0.00003764 -0.00578243 232 SER   A H     
2124 H HA    . SER   A 120 ? 0.13922216 0.15376143 0.02191275 0.00612594  0.00056045  -0.01200086 232 SER   A HA    
2125 H HB2   . SER   A 120 ? 0.14243609 0.15204754 0.02572196 0.00767725  0.00025555  -0.01289976 232 SER   A HB2   
2126 H HB3   . SER   A 120 ? 0.14215729 0.15226030 0.02580279 0.00766688  0.00029344  -0.01308056 232 SER   A HB3   
2127 H HG    . SER   A 120 ? 0.11487288 0.11487288 0.11487288 0.00000000  0.00000000  0.00000000  232 SER   A HG    
2128 N N     . LYS   A 121 ? 0.13393807 0.16710997 0.02182455 0.00279619  0.00172084  -0.01868512 233 LYS   A N     
2129 C CA    . LYS   A 121 ? 0.14821419 0.17450707 0.03546717 0.00018149  0.00395211  -0.02613034 233 LYS   A CA    
2130 C C     . LYS   A 121 ? 0.14277035 0.16458558 0.03215108 0.00037287  0.00071360  -0.02600423 233 LYS   A C     
2131 O O     . LYS   A 121 ? 0.14264292 0.16497786 0.03910644 0.00143748  0.00133208  -0.02965377 233 LYS   A O     
2132 C CB    . LYS   A 121 ? 0.17342366 0.19112679 0.05731162 -0.00947896 0.00359103  -0.01457298 233 LYS   A CB    
2133 C CG    . LYS   A 121 ? 0.19328064 0.22299434 0.08628747 -0.00323146 0.01285026  -0.01918833 233 LYS   A CG    
2134 C CD    . LYS   A 121 ? 0.21891877 0.24324760 0.11882829 -0.01083684 0.01214819  -0.00583832 233 LYS   A CD    
2135 C CE    . LYS   A 121 ? 0.23781440 0.26577458 0.13767868 -0.00534827 0.02295417  -0.01076607 233 LYS   A CE    
2136 H H     . LYS   A 121 ? 0.13502218 0.16680637 0.02313329 0.00263686  0.00186613  -0.01910409 233 LYS   A H     
2137 H HA    . LYS   A 121 ? 0.14774780 0.17307146 0.03474880 -0.00052678 0.00343665  -0.02333717 233 LYS   A HA    
2138 H HB2   . LYS   A 121 ? 0.17068285 0.19093326 0.05602477 -0.00650462 0.00587401  -0.01769222 233 LYS   A HB2   
2139 H HB3   . LYS   A 121 ? 0.17001227 0.19093497 0.05602649 -0.00636293 0.00555755  -0.01764305 233 LYS   A HB3   
2140 H HG2   . LYS   A 121 ? 0.19298470 0.21841963 0.08413505 -0.00563022 0.01193584  -0.01604548 233 LYS   A HG2   
2141 H HG3   . LYS   A 121 ? 0.19240886 0.21893524 0.08424629 -0.00468754 0.01178429  -0.01524445 233 LYS   A HG3   
2142 H HD2   . LYS   A 121 ? 0.21694800 0.24335833 0.11440442 -0.00855345 0.01471370  -0.00955676 233 LYS   A HD2   
2143 H HD3   . LYS   A 121 ? 0.21637584 0.24225470 0.11442892 -0.00805351 0.01468625  -0.00912131 233 LYS   A HD3   
2144 H HE2   . LYS   A 121 ? 0.23521033 0.26150489 0.13535805 -0.00778782 0.02085910  -0.00987249 233 LYS   A HE2   
2145 H HE3   . LYS   A 121 ? 0.29186833 0.29186833 0.29186833 0.00000000  0.00000000  0.00000000  233 LYS   A HE3   
2146 N N     . LEU   A 122 ? 0.13617016 0.15743986 0.02962474 0.00638868  0.00245998  -0.02694026 234 LEU   A N     
2147 C CA    . LEU   A 122 ? 0.13930732 0.15762562 0.03025354 0.00751894  0.00225064  -0.02630757 234 LEU   A CA    
2148 C C     . LEU   A 122 ? 0.13504034 0.15930232 0.03352715 0.00475113  0.00536140  -0.02700680 234 LEU   A C     
2149 O O     . LEU   A 122 ? 0.13340031 0.16430572 0.05351264 0.00577998  0.00868090  -0.02730690 234 LEU   A O     
2150 C CB    . LEU   A 122 ? 0.14813420 0.16392499 0.03325146 0.00832295  0.00079712  -0.02113401 234 LEU   A CB    
2151 C CG    . LEU   A 122 ? 0.16172305 0.16934359 0.03310419 0.01029029  0.00247403  -0.02194975 234 LEU   A CG    
2152 C CD1   . LEU   A 122 ? 0.16397664 0.17251027 0.03310983 0.01114976  0.00361500  -0.02030042 234 LEU   A CD1   
2153 C CD2   . LEU   A 122 ? 0.17103642 0.17662081 0.03525445 0.01110245  -0.00045148 -0.02023992 234 LEU   A CD2   
2154 H H     . LEU   A 122 ? 0.13694610 0.15896232 0.03049122 0.00567213  0.00197263  -0.02656448 234 LEU   A H     
2155 H HA    . LEU   A 122 ? 0.13921586 0.15863861 0.03115370 0.00702324  0.00256129  -0.02569897 234 LEU   A HA    
2156 H HB2   . LEU   A 122 ? 0.14833409 0.16336495 0.03274322 0.00850611  0.00137845  -0.02226423 234 LEU   A HB2   
2157 H HB3   . LEU   A 122 ? 0.14828134 0.16344166 0.03294597 0.00853373  0.00134715  -0.02235121 234 LEU   A HB3   
2158 H HG    . LEU   A 122 ? 0.16091469 0.16971980 0.03359706 0.01028421  0.00203458  -0.02130909 234 LEU   A HG    
2159 H HD11  . LEU   A 122 ? 0.16285366 0.17143381 0.03322190 0.01097756  0.00342028  -0.02053194 234 LEU   A HD11  
2160 H HD12  . LEU   A 122 ? 0.16302702 0.17170526 0.03341733 0.01091912  0.00340235  -0.02029740 234 LEU   A HD12  
2161 H HD13  . LEU   A 122 ? 0.16332850 0.17188279 0.03317482 0.01118093  0.00344236  -0.02049722 234 LEU   A HD13  
2162 H HD21  . LEU   A 122 ? 0.16976325 0.17515522 0.03508748 0.01085688  0.00024307  -0.02048273 234 LEU   A HD21  
2163 H HD22  . LEU   A 122 ? 0.16922364 0.17549872 0.03535806 0.01127761  0.00012954  -0.02044082 234 LEU   A HD22  
2164 H HD23  . LEU   A 122 ? 0.16909535 0.17557716 0.03548531 0.01088972  0.00008278  -0.02004802 234 LEU   A HD23  
2165 N N     . GLY   A 123 ? 0.13437594 0.15611431 0.03748080 0.00196069  0.00646170  -0.02555563 235 GLY   A N     
2166 C CA    . GLY   A 123 ? 0.13588752 0.15952022 0.04271473 -0.00222699 0.00805060  -0.02422797 235 GLY   A CA    
2167 C C     . GLY   A 123 ? 0.13717411 0.15841472 0.04596918 -0.00350016 0.00930980  -0.02577460 235 GLY   A C     
2168 O O     . GLY   A 123 ? 0.13828577 0.16423810 0.05910360 -0.00754281 0.01284971  -0.03472797 235 GLY   A O     
2169 H H     . GLY   A 123 ? 0.13460359 0.15731575 0.03775610 0.00187116  0.00635674  -0.02559184 235 GLY   A H     
2170 H HA2   . GLY   A 123 ? 0.13592383 0.15878205 0.04257643 -0.00167426 0.00814671  -0.02482516 235 GLY   A HA2   
2171 H HA3   . GLY   A 123 ? 0.13585667 0.15867962 0.04243413 -0.00170807 0.00812610  -0.02480440 235 GLY   A HA3   
2172 N N     . ILE   A 124 ? 0.13785572 0.16181800 0.05379069 -0.00552623 0.00938156  -0.02508954 236 ILE   A N     
2173 C CA    . ILE   A 124 ? 0.14673041 0.16621368 0.05735383 -0.00550006 0.01045148  -0.02678714 236 ILE   A CA    
2174 C C     . ILE   A 124 ? 0.14811713 0.16499253 0.05820199 -0.00443515 0.01018527  -0.02634194 236 ILE   A C     
2175 O O     . ILE   A 124 ? 0.15371197 0.17009130 0.07686164 -0.00634483 0.01923724  -0.02724692 236 ILE   A O     
2176 C CB    . ILE   A 124 ? 0.15448990 0.17502616 0.06926600 -0.00681810 0.00346263  -0.02379394 236 ILE   A CB    
2177 C CG1   . ILE   A 124 ? 0.16416644 0.17801414 0.07958932 -0.00751923 0.00251020  -0.02080452 236 ILE   A CG1   
2178 C CG2   . ILE   A 124 ? 0.16264775 0.17702851 0.06822626 -0.00843090 0.00216248  -0.02388899 236 ILE   A CG2   
2179 C CD1   . ILE   A 124 ? 0.16960816 0.18391484 0.09411491 -0.00549759 0.00343877  -0.01368133 236 ILE   A CD1   
2180 H H     . ILE   A 124 ? 0.13885362 0.16177838 0.05261120 -0.00506618 0.00971419  -0.02565508 236 ILE   A H     
2181 H HA    . ILE   A 124 ? 0.14607668 0.16629133 0.05842536 -0.00542233 0.00942904  -0.02585021 236 ILE   A HA    
2182 H HB    . ILE   A 124 ? 0.15531628 0.17427881 0.06872354 -0.00683582 0.00439654  -0.02391910 236 ILE   A HB    
2183 H HG12  . ILE   A 124 ? 0.16330460 0.17782244 0.07915875 -0.00679579 0.00247837  -0.02019998 236 ILE   A HG12  
2184 H HG13  . ILE   A 124 ? 0.16284758 0.17784926 0.07923009 -0.00694736 0.00284407  -0.02046500 236 ILE   A HG13  
2185 H HG21  . ILE   A 124 ? 0.16121876 0.17660028 0.06885985 -0.00801011 0.00248783  -0.02378694 236 ILE   A HG21  
2186 H HG22  . ILE   A 124 ? 0.16174591 0.17653647 0.06864665 -0.00796914 0.00224012  -0.02381690 236 ILE   A HG22  
2187 H HG23  . ILE   A 124 ? 0.16113953 0.17663760 0.06838750 -0.00785785 0.00247330  -0.02378985 236 ILE   A HG23  
2188 H HD11  . ILE   A 124 ? 0.16890232 0.18264724 0.09147645 -0.00570025 0.00290726  -0.01496960 236 ILE   A HD11  
2189 H HD12  . ILE   A 124 ? 0.16844799 0.18304539 0.09118261 -0.00566572 0.00331181  -0.01505857 236 ILE   A HD12  
2190 H HD13  . ILE   A 124 ? 0.16830850 0.18309711 0.09318516 -0.00563764 0.00349942  -0.01398032 236 ILE   A HD13  
2191 N N     . SER   A 125 ? 0.14843263 0.16483951 0.05231763 -0.00369931 0.01181704  -0.02516403 237 SER   A N     
2192 C CA    . SER   A 125 ? 0.15512899 0.16557659 0.06101565 -0.00276912 0.01038831  -0.02492581 237 SER   A CA    
2193 C C     . SER   A 125 ? 0.15016879 0.16195455 0.04535302 -0.00462947 0.01010639  -0.01707097 237 SER   A C     
2194 O O     . SER   A 125 ? 0.14914435 0.15211739 0.05015194 -0.00655077 0.01119578  -0.01382094 237 SER   A O     
2195 C CB    . SER   A 125 ? 0.16896005 0.17358951 0.06572843 0.00175351  0.00784976  -0.02460594 237 SER   A CB    
2196 O OG    . SER   A 125 ? 0.17655021 0.19205816 0.08719599 0.00439354  0.00405991  -0.02465294 237 SER   A OG    
2197 H H     . SER   A 125 ? 0.14855866 0.16495696 0.05500920 -0.00391723 0.01176452  -0.02517624 237 SER   A H     
2198 H HA    . SER   A 125 ? 0.15487613 0.16581339 0.05779270 -0.00262975 0.01028842  -0.02352311 237 SER   A HA    
2199 H HB2   . SER   A 125 ? 0.16776869 0.17435338 0.06842900 0.00145644  0.00807066  -0.02436908 237 SER   A HB2   
2200 H HB3   . SER   A 125 ? 0.16741844 0.17432073 0.06797237 0.00179646  0.00829571  -0.02494979 237 SER   A HB3   
2201 H HG    . SER   A 125 ? 0.16766122 0.16766122 0.16766122 0.00000000  0.00000000  0.00000000  237 SER   A HG    
2202 N N     . GLY   A 126 ? 0.15345135 0.16029190 0.03905946 -0.00353503 0.00794647  -0.01356725 238 GLY   A N     
2203 C CA    . GLY   A 126 ? 0.15438497 0.16084892 0.03843853 -0.00199589 0.00792286  -0.01333123 238 GLY   A CA    
2204 C C     . GLY   A 126 ? 0.15636757 0.15972403 0.03219824 -0.00070148 0.00782538  -0.00934322 238 GLY   A C     
2205 O O     . GLY   A 126 ? 0.15655403 0.16658989 0.02589982 -0.00431561 0.01004532  -0.01244170 238 GLY   A O     
2206 H H     . GLY   A 126 ? 0.15289207 0.16067258 0.04064037 -0.00348571 0.00847245  -0.01428871 238 GLY   A H     
2207 H HA2   . GLY   A 126 ? 0.15472825 0.16107696 0.03807293 -0.00211746 0.00785209  -0.01287049 238 GLY   A HA2   
2208 H HA3   . GLY   A 126 ? 0.15458857 0.16069292 0.03777873 -0.00204641 0.00785528  -0.01269676 238 GLY   A HA3   
2209 N N     . ASP   A 127 ? 0.15883070 0.16501749 0.03137050 0.00090616  0.00886147  -0.00809676 239 ASP   A N     
2210 C CA    . ASP   A 127 ? 0.16455236 0.16783337 0.03247569 0.00535738  0.00186210  -0.00846467 239 ASP   A CA    
2211 C C     . ASP   A 127 ? 0.16457698 0.16884020 0.02212667 0.00555492  0.00672896  -0.00929571 239 ASP   A C     
2212 O O     . ASP   A 127 ? 0.16936886 0.17357126 0.02235840 0.00786937  0.00690918  -0.01122244 239 ASP   A O     
2213 C CB    . ASP   A 127 ? 0.17104581 0.17147091 0.04139776 0.00868763  -0.00100821 -0.00900816 239 ASP   A CB    
2214 C CG    . ASP   A 127 ? 0.17709237 0.17457697 0.04657561 0.00943679  -0.00405826 -0.00562023 239 ASP   A CG    
2215 O OD1   . ASP   A 127 ? 0.18570416 0.19983804 0.07172865 0.01539916  0.01089123  0.00794880  239 ASP   A OD1   
2216 O OD2   . ASP   A 127 ? 0.17719118 0.17154586 0.04693780 0.01037449  -0.00572065 -0.00157489 239 ASP   A OD2   
2217 H H     . ASP   A 127 ? 0.15866797 0.16436523 0.03201017 0.00114154  0.00759910  -0.00848648 239 ASP   A H     
2218 H HA    . ASP   A 127 ? 0.16527371 0.16867904 0.03293613 0.00530077  0.00321812  -0.00854890 239 ASP   A HA    
2219 H HB2   . ASP   A 127 ? 0.17104968 0.17119384 0.04071666 0.00836620  -0.00122336 -0.00837058 239 ASP   A HB2   
2220 H HB3   . ASP   A 127 ? 0.17086850 0.17118102 0.04069693 0.00830985  -0.00105769 -0.00827241 239 ASP   A HB3   
2221 N N     . ILE   A 128 ? 0.16461350 0.17414351 0.01324477 0.00667715  0.00412866  -0.01181528 240 ILE   A N     
2222 C CA    . ILE   A 128 ? 0.16491160 0.17324947 0.02067289 0.00656193  0.00519134  -0.00884092 240 ILE   A CA    
2223 C C     . ILE   A 128 ? 0.16759017 0.17034616 0.02336486 0.00487833  0.00981693  -0.00885233 240 ILE   A C     
2224 O O     . ILE   A 128 ? 0.17331424 0.17815602 0.02888600 0.00678962  0.01653222  -0.00331774 240 ILE   A O     
2225 C CB    . ILE   A 128 ? 0.16687356 0.17388049 0.03037293 0.00882996  0.00385369  -0.01025241 240 ILE   A CB    
2226 C CG1   . ILE   A 128 ? 0.16957784 0.17929913 0.03323563 0.00990040  0.00586705  -0.01297372 240 ILE   A CG1   
2227 C CG2   . ILE   A 128 ? 0.16797346 0.17975906 0.03641119 0.00783893  0.00276340  -0.01125499 240 ILE   A CG2   
2228 C CD1   . ILE   A 128 ? 0.17499305 0.18241237 0.03915116 0.00864611  0.00597209  -0.01156192 240 ILE   A CD1   
2229 H H     . ILE   A 128 ? 0.16424808 0.17291796 0.01436650 0.00670713  0.00596612  -0.01132260 240 ILE   A H     
2230 H HA    . ILE   A 128 ? 0.16560921 0.17293131 0.02167176 0.00646356  0.00570365  -0.00963819 240 ILE   A HA    
2231 H HB    . ILE   A 128 ? 0.16694598 0.17498389 0.02993796 0.00873979  0.00403246  -0.01029239 240 ILE   A HB    
2232 H HG12  . ILE   A 128 ? 0.16986012 0.17885849 0.03395725 0.00953363  0.00561615  -0.01221669 240 ILE   A HG12  
2233 H HG13  . ILE   A 128 ? 0.16972077 0.17880493 0.03380489 0.00951770  0.00566043  -0.01212796 240 ILE   A HG13  
2234 H HG21  . ILE   A 128 ? 0.16772158 0.17879321 0.03542628 0.00816404  0.00319980  -0.01102278 240 ILE   A HG21  
2235 H HG22  . ILE   A 128 ? 0.16767162 0.17850009 0.03553610 0.00785626  0.00335161  -0.01123678 240 ILE   A HG22  
2236 H HG23  . ILE   A 128 ? 0.16763231 0.17855015 0.03623254 0.00801372  0.00313210  -0.01079907 240 ILE   A HG23  
2237 H HD11  . ILE   A 128 ? 0.17398295 0.18167681 0.03848138 0.00869279  0.00615988  -0.01203736 240 ILE   A HD11  
2238 H HD12  . ILE   A 128 ? 0.17375089 0.18166919 0.03928209 0.00869358  0.00582684  -0.01169882 240 ILE   A HD12  
2239 H HD13  . ILE   A 128 ? 0.17416164 0.18157770 0.03821548 0.00888314  0.00581524  -0.01189730 240 ILE   A HD13  
2240 N N     . ASP   A 129 ? 0.16876549 0.17037483 0.02441756 0.00162475  0.00913378  -0.00866930 241 ASP   A N     
2241 C CA    . ASP   A 129 ? 0.17368557 0.17753682 0.03862258 -0.00086595 0.01489717  -0.00857893 241 ASP   A CA    
2242 C C     . ASP   A 129 ? 0.17296271 0.17379405 0.02822876 -0.00267604 0.02097374  -0.00735943 241 ASP   A C     
2243 O O     . ASP   A 129 ? 0.19036971 0.17414679 0.03067686 0.00192517  0.03212357  -0.00778055 241 ASP   A O     
2244 C CB    . ASP   A 129 ? 0.19234137 0.19895419 0.05978211 -0.00859066 0.00447595  -0.01102910 241 ASP   A CB    
2245 C CG    . ASP   A 129 ? 0.21179649 0.22757761 0.10805460 -0.00273456 0.00708653  -0.00979305 241 ASP   A CG    
2246 O OD1   . ASP   A 129 ? 0.25094813 0.26096117 0.14411423 0.00575857  0.01057256  -0.02981371 241 ASP   A OD1   
2247 O OD2   . ASP   A 129 ? 0.25693816 0.27566826 0.14796749 -0.01861116 -0.01466828 -0.01832971 241 ASP   A OD2   
2248 H H     . ASP   A 129 ? 0.16934508 0.17164384 0.02609418 0.00207264  0.01064083  -0.00919212 241 ASP   A H     
2249 H HA    . ASP   A 129 ? 0.17452760 0.17794335 0.03740479 -0.00161929 0.01369510  -0.00862973 241 ASP   A HA    
2250 H HB2   . ASP   A 129 ? 0.19090368 0.19817100 0.06128194 -0.00569740 0.00736110  -0.00995557 241 ASP   A HB2   
2251 H HB3   . ASP   A 129 ? 0.19105941 0.19777374 0.06210515 -0.00564959 0.00685430  -0.00999899 241 ASP   A HB3   
2252 N N     . LEU   A 130 ? 0.17161733 0.16861138 0.02929207 -0.00352611 0.01938908  -0.00798863 242 LEU   A N     
2253 C CA    . LEU   A 130 ? 0.16468723 0.16891012 0.03141473 -0.00767490 0.01900327  -0.00900938 242 LEU   A CA    
2254 C C     . LEU   A 130 ? 0.15881123 0.17218971 0.04280537 -0.00979835 0.02227138  -0.00985491 242 LEU   A C     
2255 O O     . LEU   A 130 ? 0.15822190 0.18416539 0.05458644 -0.00989255 0.02828216  -0.00406124 242 LEU   A O     
2256 C CB    . LEU   A 130 ? 0.16485393 0.16991296 0.03353350 -0.00587525 0.01486356  -0.01020928 242 LEU   A CB    
2257 C CG    . LEU   A 130 ? 0.16470620 0.17029876 0.03858783 -0.00704521 0.00990612  -0.01166683 242 LEU   A CG    
2258 C CD1   . LEU   A 130 ? 0.16368297 0.16794884 0.04137450 -0.00760863 0.00913181  -0.01180364 242 LEU   A CD1   
2259 C CD2   . LEU   A 130 ? 0.16438526 0.17055276 0.03865711 -0.00910728 0.00957381  -0.01181919 242 LEU   A CD2   
2260 H H     . LEU   A 130 ? 0.17071995 0.16968527 0.02977899 -0.00399479 0.01959346  -0.00801494 242 LEU   A H     
2261 H HA    . LEU   A 130 ? 0.16445324 0.16943613 0.03310262 -0.00726087 0.01931669  -0.00905018 242 LEU   A HA    
2262 H HB2   . LEU   A 130 ? 0.16470055 0.16972438 0.03413640 -0.00627790 0.01472272  -0.01016366 242 LEU   A HB2   
2263 H HB3   . LEU   A 130 ? 0.16472059 0.16973934 0.03413509 -0.00632136 0.01476682  -0.01016458 242 LEU   A HB3   
2264 H HG    . LEU   A 130 ? 0.16445516 0.17021081 0.03870956 -0.00707542 0.01076607  -0.01156798 242 LEU   A HG    
2265 H HD11  . LEU   A 130 ? 0.16375399 0.16819522 0.04120476 -0.00750225 0.00947283  -0.01177044 242 LEU   A HD11  
2266 H HD12  . LEU   A 130 ? 0.16381995 0.16812532 0.04096392 -0.00751296 0.00937399  -0.01177062 242 LEU   A HD12  
2267 H HD13  . LEU   A 130 ? 0.16376729 0.16828606 0.04096352 -0.00747754 0.00936467  -0.01174477 242 LEU   A HD13  
2268 H HD21  . LEU   A 130 ? 0.16435221 0.17039427 0.03875351 -0.00870546 0.00970799  -0.01181562 242 LEU   A HD21  
2269 H HD22  . LEU   A 130 ? 0.16447605 0.17042431 0.03877722 -0.00873351 0.00970671  -0.01184198 242 LEU   A HD22  
2270 H HD23  . LEU   A 130 ? 0.16441646 0.17039268 0.03876713 -0.00868446 0.00968069  -0.01182349 242 LEU   A HD23  
2271 N N     . THR   A 131 ? 0.16268054 0.16811997 0.04420428 -0.01055865 0.01700591  -0.01207953 243 THR   A N     
2272 C CA    . THR   A 131 ? 0.17089060 0.17238219 0.05285465 -0.00820872 0.01216563  -0.01413565 243 THR   A CA    
2273 C C     . THR   A 131 ? 0.16628399 0.17236185 0.05284218 -0.00525464 0.00924060  -0.01809185 243 THR   A C     
2274 O O     . THR   A 131 ? 0.16703156 0.18103568 0.08727395 -0.00252408 0.00767840  -0.02907608 243 THR   A O     
2275 C CB    . THR   A 131 ? 0.18978257 0.18442520 0.05372486 -0.00813027 0.01181363  -0.01680130 243 THR   A CB    
2276 O OG1   . THR   A 131 ? 0.21176630 0.19186610 0.05671990 -0.00686076 0.01224173  -0.02491656 243 THR   A OG1   
2277 C CG2   . THR   A 131 ? 0.19657445 0.19520056 0.06546032 -0.00454515 0.01057284  -0.01383174 243 THR   A CG2   
2278 H H     . THR   A 131 ? 0.16283306 0.16961993 0.04546052 -0.00997780 0.01729587  -0.01207649 243 THR   A H     
2279 H HA    . THR   A 131 ? 0.17091295 0.17319274 0.05163717 -0.00815605 0.01273637  -0.01459931 243 THR   A HA    
2280 H HB    . THR   A 131 ? 0.19012921 0.18440226 0.05547973 -0.00767647 0.01199050  -0.01698661 243 THR   A HB    
2281 H HG1   . THR   A 131 ? 0.16686332 0.16686332 0.16686332 0.00000000  0.00000000  0.00000000  243 THR   A HG1   
2282 H HG21  . THR   A 131 ? 0.19502231 0.19298227 0.06526829 -0.00516374 0.01057382  -0.01407287 243 THR   A HG21  
2283 H HG22  . THR   A 131 ? 0.19568974 0.19319770 0.06327308 -0.00474367 0.01058665  -0.01434847 243 THR   A HG22  
2284 H HG23  . THR   A 131 ? 0.19487120 0.19387214 0.06322049 -0.00522236 0.01077730  -0.01401305 243 THR   A HG23  
2285 N N     A SER   A 132 ? 0.16366047 0.17000885 0.05157275 -0.00297777 0.00975608  -0.01870488 244 SER   A N     
2286 N N     B SER   A 132 ? 0.16450326 0.16943818 0.05293969 -0.00364432 0.00869345  -0.02023710 244 SER   A N     
2287 C CA    A SER   A 132 ? 0.16256073 0.16859056 0.05761598 -0.00159368 0.01061625  -0.01765629 244 SER   A CA    
2288 C CA    B SER   A 132 ? 0.16376325 0.16862665 0.06136201 -0.00262877 0.00835378  -0.02041917 244 SER   A CA    
2289 C C     A SER   A 132 ? 0.16058023 0.16204767 0.05316021 0.00017131  0.01066394  -0.02165259 244 SER   A C     
2290 C C     B SER   A 132 ? 0.16141383 0.16279773 0.05316328 -0.00055024 0.00974861  -0.02301050 244 SER   A C     
2291 O O     A SER   A 132 ? 0.16011858 0.16320744 0.05661744 0.00266187  0.00900820  -0.02078072 244 SER   A O     
2292 O O     B SER   A 132 ? 0.16123536 0.16364899 0.04985614 0.00081689  0.00754323  -0.02488757 244 SER   A O     
2293 C CB    A SER   A 132 ? 0.16766226 0.17321034 0.06492033 0.00034048  0.00922551  -0.01365923 244 SER   A CB    
2294 C CB    B SER   A 132 ? 0.16845971 0.17231898 0.06455044 -0.00156559 0.00821225  -0.01832557 244 SER   A CB    
2295 O OG    A SER   A 132 ? 0.17308219 0.18187644 0.07174405 0.00157408  0.01349683  -0.00726167 244 SER   A OG    
2296 O OG    B SER   A 132 ? 0.17852120 0.17483225 0.08080377 -0.00278291 0.00427253  -0.01839298 244 SER   A OG    
2297 H H     A SER   A 132 ? 0.16364847 0.17020625 0.05266424 -0.00321765 0.01000667  -0.01831518 244 SER   A H     
2298 H H     B SER   A 132 ? 0.16446410 0.16980772 0.05414782 -0.00382112 0.00892807  -0.01970665 244 SER   A H     
2299 H HA    A SER   A 132 ? 0.16312385 0.16853698 0.05749189 -0.00118619 0.01070001  -0.01793283 244 SER   A HA    
2300 H HA    B SER   A 132 ? 0.16442332 0.16828531 0.05973312 -0.00237373 0.00839673  -0.02040881 244 SER   A HA    
2301 H HB2   A SER   A 132 ? 0.16743068 0.17343321 0.06476589 0.00031846  0.01022814  -0.01334016 244 SER   A HB2   
2302 H HB2   B SER   A 132 ? 0.16894992 0.17209698 0.06670988 -0.00184504 0.00773876  -0.01859216 244 SER   A HB2   
2303 H HB3   A SER   A 132 ? 0.16727762 0.17368315 0.06483436 0.00021135  0.01015058  -0.01332686 244 SER   A HB3   
2304 H HB3   B SER   A 132 ? 0.16856578 0.17205244 0.06628628 -0.00158033 0.00820035  -0.01856511 244 SER   A HB3   
2305 H HG    A SER   A 132 ? 0.15909958 0.15909958 0.15909958 0.00000000  0.00000000  0.00000000  244 SER   A HG    
2306 H HG    B SER   A 132 ? 0.16140464 0.16140464 0.16140464 0.00000000  0.00000000  0.00000000  244 SER   A HG    
2307 N N     . ALA   A 133 ? 0.15665650 0.16006494 0.05707384 -0.00000980 0.01189872  -0.02348564 245 ALA   A N     
2308 C CA    . ALA   A 133 ? 0.15595151 0.15687849 0.07094961 -0.00126875 0.00881131  -0.02086981 245 ALA   A CA    
2309 C C     . ALA   A 133 ? 0.15641458 0.15617201 0.08264368 -0.00107818 0.00619050  -0.02525690 245 ALA   A C     
2310 O O     . ALA   A 133 ? 0.16475961 0.16283889 0.10412895 0.00175538  0.01532409  -0.03181996 245 ALA   A O     
2311 C CB    . ALA   A 133 ? 0.16161667 0.15961936 0.07258881 -0.00161855 0.00602557  -0.01894902 245 ALA   A CB    
2312 H H     . ALA   A 133 ? 0.15718868 0.16041768 0.05818354 0.00005637  0.01129561  -0.02286468 245 ALA   A H     
2313 H HA    . ALA   A 133 ? 0.15663527 0.15765573 0.07071158 -0.00104568 0.00883526  -0.02154552 245 ALA   A HA    
2314 H HB1   . ALA   A 133 ? 0.16055888 0.15937173 0.07246167 -0.00156006 0.00650624  -0.01933357 245 ALA   A HB1   
2315 H HB2   . ALA   A 133 ? 0.16096351 0.15908328 0.07278513 -0.00153505 0.00618957  -0.01937283 245 ALA   A HB2   
2316 H HB3   . ALA   A 133 ? 0.16075471 0.15915287 0.07253337 -0.00140030 0.00658280  -0.01937375 245 ALA   A HB3   
2317 N N     . SER   A 134 ? 0.15536846 0.15561247 0.08811073 -0.00023374 0.00440640  -0.02424563 246 SER   A N     
2318 C CA    . SER   A 134 ? 0.16097715 0.15587045 0.10203068 0.00104014  0.00069930  -0.02437920 246 SER   A CA    
2319 C C     . SER   A 134 ? 0.15804473 0.15007797 0.10753555 0.00369631  0.00116211  -0.02197506 246 SER   A C     
2320 O O     . SER   A 134 ? 0.15928492 0.14459096 0.11531252 0.00132184  0.01148865  -0.02248726 246 SER   A O     
2321 C CB    . SER   A 134 ? 0.17023546 0.16270089 0.11650153 0.00354341  -0.00650647 -0.02111896 246 SER   A CB    
2322 O OG    . SER   A 134 ? 0.19349578 0.18522221 0.11534780 -0.00050502 -0.00790281 -0.01652563 246 SER   A OG    
2323 H H     . SER   A 134 ? 0.15603726 0.15572290 0.08921514 -0.00003761 0.00455139  -0.02450744 246 SER   A H     
2324 H HA    . SER   A 134 ? 0.16058426 0.15598531 0.10213111 0.00161553  0.00075755  -0.02367938 246 SER   A HA    
2325 H HB2   . SER   A 134 ? 0.17175010 0.16345051 0.11382951 0.00304558  -0.00506034 -0.02099713 246 SER   A HB2   
2326 H HB3   . SER   A 134 ? 0.17170709 0.16440815 0.11368411 0.00264207  -0.00502663 -0.02088662 246 SER   A HB3   
2327 H HG    . SER   A 134 ? 0.18046568 0.18046568 0.18046568 0.00000000  0.00000000  0.00000000  246 SER   A HG    
2328 N N     . TYR   A 135 ? 0.15826073 0.15042765 0.11914717 0.00614747  -0.00348456 -0.02474218 247 TYR   A N     
2329 C CA    . TYR   A 135 ? 0.16222364 0.15590146 0.13014580 0.00479403  -0.01014337 -0.02083884 247 TYR   A CA    
2330 C C     . TYR   A 135 ? 0.16034493 0.16149250 0.14963421 0.00931792  -0.01870912 -0.01886803 247 TYR   A C     
2331 O O     . TYR   A 135 ? 0.15543461 0.16397980 0.16496649 0.00751066  -0.01593232 -0.02132680 247 TYR   A O     
2332 C CB    . TYR   A 135 ? 0.16985893 0.15853943 0.13188644 0.00611208  -0.01762981 -0.01614282 247 TYR   A CB    
2333 C CG    . TYR   A 135 ? 0.17673433 0.16578087 0.12730314 0.01071016  -0.02043889 -0.01841012 247 TYR   A CG    
2334 C CD1   . TYR   A 135 ? 0.18188675 0.16809076 0.11916291 0.01451749  -0.01973267 -0.01683624 247 TYR   A CD1   
2335 C CD2   . TYR   A 135 ? 0.18323778 0.17061538 0.11738649 0.01212444  -0.02566431 -0.02080972 247 TYR   A CD2   
2336 C CE1   . TYR   A 135 ? 0.18789199 0.17116596 0.10719201 0.01789836  -0.02386978 -0.02090384 247 TYR   A CE1   
2337 C CE2   . TYR   A 135 ? 0.19026694 0.17974892 0.11172148 0.01516082  -0.02577338 -0.01711459 247 TYR   A CE2   
2338 C CZ    . TYR   A 135 ? 0.19190629 0.18199408 0.10264442 0.01690070  -0.02440577 -0.01912164 247 TYR   A CZ    
2339 O OH    . TYR   A 135 ? 0.20550369 0.20316094 0.08620828 0.01715613  -0.02912780 -0.02343832 247 TYR   A OH    
2340 H H     . TYR   A 135 ? 0.15823650 0.15139656 0.11890978 0.00576108  -0.00356777 -0.02356782 247 TYR   A H     
2341 H HA    . TYR   A 135 ? 0.16215757 0.15599695 0.13084725 0.00598136  -0.01080857 -0.02049296 247 TYR   A HA    
2342 H HB2   . TYR   A 135 ? 0.16942997 0.15881181 0.13087875 0.00642734  -0.01680982 -0.01715595 247 TYR   A HB2   
2343 H HB3   . TYR   A 135 ? 0.16961834 0.15910557 0.13052249 0.00672109  -0.01681466 -0.01706571 247 TYR   A HB3   
2344 H HD1   . TYR   A 135 ? 0.18195724 0.16812533 0.11832560 0.01436997  -0.02049871 -0.01750491 247 TYR   A HD1   
2345 H HD2   . TYR   A 135 ? 0.18320735 0.17104025 0.11826925 0.01240157  -0.02450030 -0.01982463 247 TYR   A HD2   
2346 H HE1   . TYR   A 135 ? 0.18737878 0.17173868 0.10890517 0.01763104  -0.02314032 -0.01986597 247 TYR   A HE1   
2347 H HE2   . TYR   A 135 ? 0.18890539 0.17824489 0.11107500 0.01499421  -0.02530044 -0.01821653 247 TYR   A HE2   
2348 H HH    . TYR   A 135 ? 0.17460172 0.17460172 0.17460172 0.00000000  0.00000000  0.00000000  247 TYR   A HH    
2349 N N     . THR   A 136 ? 0.16457579 0.16039860 0.15531352 0.00656515  -0.02880283 -0.01389165 248 THR   A N     
2350 C CA    . THR   A 136 ? 0.17625460 0.17166263 0.15847671 0.01161539  -0.04219758 -0.00583120 248 THR   A CA    
2351 C C     . THR   A 136 ? 0.17793775 0.17180958 0.15607817 0.01153902  -0.04555791 -0.00071993 248 THR   A C     
2352 O O     . THR   A 136 ? 0.17477815 0.16831119 0.16529956 0.01190094  -0.04079914 0.00062739  248 THR   A O     
2353 C CB    . THR   A 136 ? 0.18710351 0.18753417 0.16856033 0.01457689  -0.05351311 -0.00763069 248 THR   A CB    
2354 O OG1   . THR   A 136 ? 0.20532021 0.20055163 0.19407828 0.02462475  -0.06240956 -0.00105676 248 THR   A OG1   
2355 C CG2   . THR   A 136 ? 0.19101369 0.19084866 0.17025055 0.01543084  -0.05328257 -0.00919018 248 THR   A CG2   
2356 H H     . THR   A 136 ? 0.16559835 0.16237132 0.15466064 0.00805738  -0.02890000 -0.01350800 248 THR   A H     
2357 H HA    . THR   A 136 ? 0.17570624 0.17178805 0.15893084 0.01097612  -0.04180735 -0.00663857 248 THR   A HA    
2358 H HB    . THR   A 136 ? 0.18775091 0.18678960 0.17072649 0.01534729  -0.05283972 -0.00639749 248 THR   A HB    
2359 H HG1   . THR   A 136 ? 0.22462904 0.22462904 0.22462904 0.00000000  0.00000000  0.00000000  248 THR   A HG1   
2360 H HG21  . THR   A 136 ? 0.19024298 0.19012359 0.17036495 0.01528850  -0.05330689 -0.00896867 248 THR   A HG21  
2361 H HG22  . THR   A 136 ? 0.19044298 0.19024424 0.17006221 0.01550040  -0.05328618 -0.00894903 248 THR   A HG22  
2362 H HG23  . THR   A 136 ? 0.19030792 0.19036967 0.17020066 0.01513171  -0.05318382 -0.00917658 248 THR   A HG23  
2363 N N     . MET   A 137 ? 0.18998653 0.17928706 0.15295231 0.01740345  -0.05629876 0.01386423  249 MET   A N     
2364 C CA    . MET   A 137 ? 0.20640746 0.19558950 0.15116608 0.01232954  -0.05799177 0.02039513  249 MET   A CA    
2365 C C     . MET   A 137 ? 0.22174352 0.21133783 0.15043274 0.00811055  -0.06473063 0.04652882  249 MET   A C     
2366 O O     . MET   A 137 ? 0.22836016 0.24542874 0.15306249 0.00988077  -0.06475206 0.07026133  249 MET   A O     
2367 C CB    . MET   A 137 ? 0.22784176 0.20267589 0.16970262 0.02154450  -0.06481136 0.00863688  249 MET   A CB    
2368 C CG    . MET   A 137 ? 0.24830449 0.21664044 0.17238143 0.02933286  -0.06835507 -0.00647010 249 MET   A CG    
2369 S SD    . MET   A 137 ? 0.28081769 0.24148187 0.18414301 0.05063313  -0.09733181 -0.03384076 249 MET   A SD    
2370 C CE    . MET   A 137 ? 0.27977589 0.25146770 0.19621190 0.04215749  -0.08696648 -0.02532020 249 MET   A CE    
2371 H H     . MET   A 137 ? 0.18846996 0.18009059 0.15339482 0.01584964  -0.05463678 0.01207323  249 MET   A H     
2372 H HA    . MET   A 137 ? 0.20773940 0.19549099 0.15248984 0.01327190  -0.05851533 0.02109596  249 MET   A HA    
2373 H HB2   . MET   A 137 ? 0.22693646 0.20347925 0.16658598 0.02103284  -0.06393421 0.00869917  249 MET   A HB2   
2374 H HB3   . MET   A 137 ? 0.22727449 0.20358820 0.16663986 0.02126021  -0.06397623 0.00851312  249 MET   A HB3   
2375 H HG2   . MET   A 137 ? 0.24728203 0.21659300 0.17367855 0.03051377  -0.07141575 -0.00679048 249 MET   A HG2   
2376 H HG3   . MET   A 137 ? 0.24810231 0.21695524 0.17379802 0.03092608  -0.07159132 -0.00697250 249 MET   A HG3   
2377 H HE1   . MET   A 137 ? 0.27918786 0.24891630 0.19284469 0.04226012  -0.08648745 -0.02713314 249 MET   A HE1   
2378 H HE2   . MET   A 137 ? 0.27953631 0.24963722 0.19373381 0.04328952  -0.08853127 -0.02693062 249 MET   A HE2   
2379 H HE3   . MET   A 137 ? 0.27976835 0.25115076 0.19387332 0.04305818  -0.08863743 -0.02649354 249 MET   A HE3   
2380 N N     . ILE   A 138 ? 0.22374806 0.22008467 0.13730662 -0.00317466 -0.06415777 0.05624161  250 ILE   A N     
2381 C CA    . ILE   A 138 ? 0.25179768 0.23680905 0.14212273 -0.01183385 -0.05552256 0.06409016  250 ILE   A CA    
2382 C C     . ILE   A 138 ? 0.26676202 0.24578598 0.16260883 -0.01905596 -0.04732278 0.06993415  250 ILE   A C     
2383 O O     . ILE   A 138 ? 0.28200799 0.25925362 0.17170548 -0.03108411 -0.04553721 0.08435354  250 ILE   A O     
2384 C CB    . ILE   A 138 ? 0.26883954 0.24184510 0.14085288 -0.01073254 -0.04499982 0.05820967  250 ILE   A CB    
2385 C CG1   . ILE   A 138 ? 0.26791459 0.24496344 0.13368443 -0.00526199 -0.04339946 0.06155012  250 ILE   A CG1   
2386 C CG2   . ILE   A 138 ? 0.28154805 0.24465457 0.14365031 -0.01490875 -0.03831537 0.05641900  250 ILE   A CG2   
2387 C CD1   . ILE   A 138 ? 0.27109548 0.24992451 0.14473519 -0.00344086 -0.03931598 0.06035465  250 ILE   A CD1   
2388 O OXT   . ILE   A 138 ? 0.29372352 0.26110435 0.20379004 -0.02366578 -0.04964788 0.05430913  250 ILE   A OXT   
2389 H H     . ILE   A 138 ? 0.22535577 0.22040284 0.13969448 -0.00132827 -0.06433525 0.05586950  250 ILE   A H     
2390 H HA    . ILE   A 138 ? 0.25014049 0.23541586 0.14395697 -0.01085630 -0.05476689 0.06305119  250 ILE   A HA    
2391 H HB    . ILE   A 138 ? 0.26777217 0.24198417 0.14099532 -0.01076937 -0.04541776 0.05913490  250 ILE   A HB    
2392 H HG12  . ILE   A 138 ? 0.26634514 0.24329337 0.13350759 -0.00568260 -0.04265015 0.06056714  250 ILE   A HG12  
2393 H HG13  . ILE   A 138 ? 0.26826686 0.24496692 0.13609266 -0.00570486 -0.04295834 0.06090601  250 ILE   A HG13  
2394 H HG21  . ILE   A 138 ? 0.27939278 0.24419597 0.14333221 -0.01408692 -0.03973113 0.05719791  250 ILE   A HG21  
2395 H HG22  . ILE   A 138 ? 0.27885616 0.24384481 0.14345132 -0.01382636 -0.03968383 0.05703970  250 ILE   A HG22  
2396 H HG23  . ILE   A 138 ? 0.28006914 0.24398792 0.14363131 -0.01369382 -0.03899474 0.05717268  250 ILE   A HG23  
2397 H HD11  . ILE   A 138 ? 0.27050760 0.24920797 0.14433450 -0.00375681 -0.04001486 0.06020872  250 ILE   A HD11  
2398 H HD12  . ILE   A 138 ? 0.27104867 0.24913591 0.14323509 -0.00360996 -0.03966619 0.06063669  250 ILE   A HD12  
2399 H HD13  . ILE   A 138 ? 0.27057666 0.24951151 0.14309104 -0.00380131 -0.03997147 0.06052143  250 ILE   A HD13  
2400 N N1    . A1H2P B .   ? 0.20359385 0.21318465 0.11178849 0.01889548  0.01379213  -0.00862931 301 A1H2P A N1    
2401 N N3    . A1H2P B .   ? 0.17959650 0.19413330 0.04501897 0.00225272  -0.02809008 0.01541150  301 A1H2P A N3    
2402 C C4    . A1H2P B .   ? 0.17958239 0.19210781 0.06497479 0.00323836  -0.02130187 0.00901574  301 A1H2P A C4    
2403 C C6    . A1H2P B .   ? 0.18340683 0.19813627 0.09117997 0.01234474  0.00112507  -0.00044923 301 A1H2P A C6    
2404 C C7    . A1H2P B .   ? 0.17578992 0.18933550 0.06547678 0.00600931  -0.01707171 0.00377682  301 A1H2P A C7    
2405 C C8    . A1H2P B .   ? 0.18397366 0.19321552 0.08634005 0.00812654  -0.01061765 0.00459190  301 A1H2P A C8    
2406 C C17   . A1H2P B .   ? 0.17275684 0.17662649 0.04114945 -0.00056710 -0.00258499 -0.00426880 301 A1H2P A C17   
2407 C C20   . A1H2P B .   ? 0.17756963 0.17555924 0.04167385 0.00158755  -0.00100383 -0.00703847 301 A1H2P A C20   
2408 C C21   . A1H2P B .   ? 0.18435587 0.17528622 0.04489617 0.00078363  -0.00410357 -0.01220609 301 A1H2P A C21   
2409 C C22   . A1H2P B .   ? 0.18695930 0.18966019 0.06277137 -0.00014161 -0.00318174 -0.01261480 301 A1H2P A C22   
2410 C C24   . A1H2P B .   ? 0.20311952 0.18578447 0.08729018 -0.00283078 -0.00045555 0.02762355  301 A1H2P A C24   
2411 C C26   . A1H2P B .   ? 0.15895735 0.15374839 0.03034147 0.00219147  -0.00098063 0.00113847  301 A1H2P A C26   
2412 C C28   . A1H2P B .   ? 0.17698313 0.19449955 0.04389692 0.00082015  -0.02651037 0.01629914  301 A1H2P A C28   
2413 C C1    . A1H2P B .   ? 0.20949042 0.22545168 0.12636989 0.02274432  0.01705931  -0.01158010 301 A1H2P A C1    
2414 C C2    . A1H2P B .   ? 0.20662969 0.22385104 0.11650266 0.02293729  0.01984321  -0.01173556 301 A1H2P A C2    
2415 C C3    . A1H2P B .   ? 0.21382287 0.22737890 0.13159354 0.02644725  0.02193042  -0.01434032 301 A1H2P A C3    
2416 C CAB   . A1H2P B .   ? 0.21218869 0.22835028 0.11711518 0.02632558  0.01764992  -0.01320798 301 A1H2P A CAB   
2417 N NAA   . A1H2P B .   ? 0.17824917 0.19105022 0.07734311 0.01219130  -0.00818233 0.00179256  301 A1H2P A NAA   
2418 C CAA   . A1H2P B .   ? 0.17801617 0.18974911 0.07078857 0.00676824  -0.01105556 0.00237109  301 A1H2P A CAA   
2419 C C9    . A1H2P B .   ? 0.18237956 0.19183363 0.07664727 0.00642060  -0.01467264 0.00846479  301 A1H2P A C9    
2420 N N4    . A1H2P B .   ? 0.19329521 0.21669184 0.04555964 -0.00051164 -0.02803139 0.01657556  301 A1H2P A N4    
2421 N N2    . A1H2P B .   ? 0.19158559 0.21329910 0.04977055 -0.00010071 -0.03075581 0.01937475  301 A1H2P A N2    
2422 C C11   . A1H2P B .   ? 0.18456970 0.19261436 0.04246893 0.00122152  -0.02151011 0.01755545  301 A1H2P A C11   
2423 C "C1'" . A1H2P B .   ? 0.18185669 0.18108582 0.04019301 0.00025582  -0.01335851 0.01675488  301 A1H2P A "C1'" 
2424 C "C2'" . A1H2P B .   ? 0.17511426 0.17222750 0.03795643 -0.00055866 -0.00797679 0.01629698  301 A1H2P A "C2'" 
2425 C "C3'" . A1H2P B .   ? 0.17466971 0.17311026 0.04017404 -0.00136334 -0.00640119 0.01356936  301 A1H2P A "C3'" 
2426 C "C4'" . A1H2P B .   ? 0.16723068 0.16992545 0.02443481 -0.00251347 -0.00414421 0.01080777  301 A1H2P A "C4'" 
2427 N N6    . A1H2P B .   ? 0.16550301 0.17580441 0.02700165 -0.00408635 -0.00183830 0.00395385  301 A1H2P A N6    
2428 N N7    . A1H2P B .   ? 0.16698115 0.18847685 0.03289553 -0.00356479 -0.00126241 -0.00165274 301 A1H2P A N7    
2429 N N8    . A1H2P B .   ? 0.16984574 0.18755263 0.03362710 -0.00385645 -0.00048339 -0.00086275 301 A1H2P A N8    
2430 C C16   . A1H2P B .   ? 0.16938786 0.17997698 0.03449368 -0.00194201 -0.00042308 -0.00039167 301 A1H2P A C16   
2431 C C18   . A1H2P B .   ? 0.17536172 0.19319618 0.05858904 -0.00231897 -0.00182963 -0.00942366 301 A1H2P A C18   
2432 C C19   . A1H2P B .   ? 0.17753819 0.19871655 0.06241200 -0.00421184 -0.00411904 -0.00884081 301 A1H2P A C19   
2433 F F1    . A1H2P B .   ? 0.17906846 0.24280328 0.07885620 -0.01144954 0.00142597  -0.01158523 301 A1H2P A F1    
2434 F F2    . A1H2P B .   ? 0.19809507 0.17851661 0.04368450 -0.00344677 -0.00545012 -0.00823652 301 A1H2P A F2    
2435 F F3    . A1H2P B .   ? 0.20189695 0.22336234 0.10381536 0.00249774  -0.01689475 -0.01600242 301 A1H2P A F3    
2436 C C23   . A1H2P B .   ? 0.16576827 0.17684439 0.03185272 -0.00203633 -0.00650410 0.00375806  301 A1H2P A C23   
2437 O "O3'" . A1H2P B .   ? 0.18738031 0.18351042 0.06678034 -0.00483437 -0.00328761 0.02538712  301 A1H2P A "O3'" 
2438 O "O2'" . A1H2P B .   ? 0.16810697 0.16122688 0.02734710 0.00131361  -0.00691614 0.00777375  301 A1H2P A "O2'" 
2439 C C25   . A1H2P B .   ? 0.16339119 0.16014758 0.02461607 0.00090375  -0.00388492 0.00440961  301 A1H2P A C25   
2440 O OP3   . A1H2P B .   ? 0.15981919 0.15711731 0.03015901 0.00457536  -0.00285801 0.00052849  301 A1H2P A OP3   
2441 C "C5'" . A1H2P B .   ? 0.16437274 0.16113594 0.01719231 -0.00114120 -0.00365613 0.00456431  301 A1H2P A "C5'" 
2442 O "O5'" . A1H2P B .   ? 0.16188514 0.15676473 0.01876202 0.00009621  -0.00339859 0.00066794  301 A1H2P A "O5'" 
2443 O O6    . A1H2P B .   ? 0.17804608 0.19411592 0.07874077 0.01791574  0.00111270  0.00528436  301 A1H2P A O6    
2444 H H10   . A1H2P B .   ? 0.19954205 0.21252477 0.10752019 0.01841198  0.01209246  -0.00728916 301 A1H2P A H10   
2445 H H19   . A1H2P B .   ? 0.17970754 0.19210418 0.06393890 0.00385638  -0.02075162 0.00920284  301 A1H2P A H19   
2446 H H14   . A1H2P B .   ? 0.17618087 0.18948223 0.06556942 0.00584403  -0.01697642 0.00436485  301 A1H2P A H14   
2447 H H13   . A1H2P B .   ? 0.17654583 0.18941502 0.06580283 0.00588115  -0.01663915 0.00409386  301 A1H2P A H13   
2448 H H16   . A1H2P B .   ? 0.18345392 0.19269240 0.08449750 0.00846495  -0.00993642 0.00470191  301 A1H2P A H16   
2449 H H15   . A1H2P B .   ? 0.18330263 0.19349484 0.08469655 0.00860008  -0.01056739 0.00489721  301 A1H2P A H15   
2450 H H26   . A1H2P B .   ? 0.17738077 0.17609969 0.04226413 0.00093208  -0.00166304 -0.00724141 301 A1H2P A H26   
2451 H H29   . A1H2P B .   ? 0.20010865 0.18584436 0.08399519 -0.00259229 -0.00125049 0.02679753  301 A1H2P A H29   
2452 H H30   . A1H2P B .   ? 0.20031808 0.18523926 0.08507457 -0.00278910 0.00035194  0.02769407  301 A1H2P A H30   
2453 H H28   . A1H2P B .   ? 0.20085455 0.18518293 0.08258069 -0.00321615 -0.00098833 0.02735198  301 A1H2P A H28   
2454 H H32   . A1H2P B .   ? 0.15977763 0.15508462 0.03006450 0.00249753  -0.00166627 0.00142547  301 A1H2P A H32   
2455 H H33   . A1H2P B .   ? 0.15968564 0.15475859 0.02976240 0.00267527  -0.00163857 0.00150786  301 A1H2P A H33   
2456 H H37   . A1H2P B .   ? 0.17847793 0.19351581 0.04391556 0.00132995  -0.02561078 0.01616928  301 A1H2P A H37   
2457 H H1    . A1H2P B .   ? 0.20866247 0.22470865 0.12586704 0.02267960  0.01731344  -0.01139212 301 A1H2P A H1    
2458 H H2    . A1H2P B .   ? 0.20924465 0.22514313 0.12476882 0.02260246  0.01752665  -0.01153544 301 A1H2P A H2    
2459 H H3    . A1H2P B .   ? 0.20892993 0.22525539 0.12466244 0.02281311  0.01756596  -0.01168166 301 A1H2P A H3    
2460 H H6    . A1H2P B .   ? 0.21300900 0.22668034 0.12876025 0.02572826  0.02172136  -0.01386329 301 A1H2P A H6    
2461 H H5    . A1H2P B .   ? 0.21253636 0.22668102 0.13047348 0.02583569  0.02215268  -0.01388990 301 A1H2P A H5    
2462 H H4    . A1H2P B .   ? 0.21250522 0.22705448 0.12878212 0.02611527  0.02139699  -0.01415564 301 A1H2P A H4    
2463 H H8    . A1H2P B .   ? 0.21108338 0.22768271 0.11662914 0.02585974  0.01781018  -0.01279556 301 A1H2P A H8    
2464 H H9    . A1H2P B .   ? 0.21093994 0.22715180 0.11688388 0.02555950  0.01786486  -0.01276164 301 A1H2P A H9    
2465 H H7    . A1H2P B .   ? 0.21035942 0.22552255 0.11446927 0.02502882  0.01705375  -0.01238728 301 A1H2P A H7    
2466 H H11   . A1H2P B .   ? 0.17757738 0.18967013 0.07101029 0.00766211  -0.01139497 0.00243960  301 A1H2P A H11   
2467 H H12   . A1H2P B .   ? 0.17775321 0.18980879 0.07147995 0.00755754  -0.01138740 0.00244189  301 A1H2P A H12   
2468 H H18   . A1H2P B .   ? 0.18210231 0.19170012 0.07622492 0.00619368  -0.01509020 0.00796471  301 A1H2P A H18   
2469 H H17   . A1H2P B .   ? 0.18222608 0.19171360 0.07632270 0.00614780  -0.01479787 0.00791785  301 A1H2P A H17   
2470 H H20   . A1H2P B .   ? 0.18108794 0.18115816 0.04035202 0.00022344  -0.01367595 0.01687571  301 A1H2P A H20   
2471 H H21   . A1H2P B .   ? 0.18086866 0.18097252 0.03988683 0.00014444  -0.01351144 0.01659332  301 A1H2P A H21   
2472 H H22   . A1H2P B .   ? 0.17484513 0.17208955 0.03702058 -0.00049419 -0.00833688 0.01477693  301 A1H2P A H22   
2473 H H23   . A1H2P B .   ? 0.17513275 0.17341501 0.03966403 -0.00196891 -0.00602783 0.01473208  301 A1H2P A H23   
2474 H H24   . A1H2P B .   ? 0.16747279 0.17001510 0.02555934 -0.00231595 -0.00431234 0.00912715  301 A1H2P A H24   
2475 H H25   . A1H2P B .   ? 0.17835602 0.19398329 0.05868601 -0.00210442 -0.00197955 -0.00818031 301 A1H2P A H25   
2476 H H27   . A1H2P B .   ? 0.16690591 0.17726767 0.03283810 -0.00233105 -0.00484666 0.00341782  301 A1H2P A H27   
2477 H H31   . A1H2P B .   ? 0.16375923 0.15980631 0.02486816 0.00088852  -0.00409856 0.00435756  301 A1H2P A H31   
2478 H H34   . A1H2P B .   ? 0.11640537 0.11640537 0.11640537 0.00000000  0.00000000  0.00000000  301 A1H2P A H34   
2479 H H35   . A1H2P B .   ? 0.16424756 0.16124308 0.01973715 -0.00086482 -0.00361291 0.00474120  301 A1H2P A H35   
2480 H H36   . A1H2P B .   ? 0.11079471 0.11079471 0.11079471 0.00000000  0.00000000  0.00000000  301 A1H2P A H36   
2481 O O1    . 2PE   C .   ? 0.34668002 0.36539450 0.30975437 0.00917081  0.02148511  -0.01025040 302 2PE   A O1    
2482 C C2    . 2PE   C .   ? 0.34172982 0.36013204 0.29659754 0.00613018  0.01982044  -0.00755018 302 2PE   A C2    
2483 C C3    . 2PE   C .   ? 0.34233189 0.35829243 0.29588696 0.00598563  0.01755304  -0.00529538 302 2PE   A C3    
2484 O O4    . 2PE   C .   ? 0.34763125 0.36024851 0.29053929 0.00084468  0.01166199  -0.00100976 302 2PE   A O4    
2485 C C5    . 2PE   C .   ? 0.34293842 0.35292968 0.28106168 -0.00011499 0.00849661  0.00384997  302 2PE   A C5    
2486 C C6    . 2PE   C .   ? 0.33921576 0.34913215 0.27885646 -0.00044758 0.00487388  0.00477502  302 2PE   A C6    
2487 O O7    . 2PE   C .   ? 0.33965892 0.36060381 0.29240504 -0.00421565 0.00116574  0.01025840  302 2PE   A O7    
2488 C C8    . 2PE   C .   ? 0.33592117 0.34307933 0.28443241 -0.00580595 0.00161918  0.01165411  302 2PE   A C8    
2489 C C9    . 2PE   C .   ? 0.33548260 0.34027675 0.28839794 -0.00729139 0.00247015  0.01194783  302 2PE   A C9    
2490 O O10   . 2PE   C .   ? 0.34378314 0.34491909 0.29763997 -0.00856474 0.00191103  0.00998488  302 2PE   A O10   
2491 C C11   . 2PE   C .   ? 0.33786431 0.33960062 0.29043233 -0.01042023 0.00340869  0.01125005  302 2PE   A C11   
2492 C C12   . 2PE   C .   ? 0.34033561 0.34096348 0.29464066 -0.01216775 0.00455480  0.00997915  302 2PE   A C12   
2493 H HO1   . 2PE   C .   ? 0.25330293 0.25330293 0.25330293 0.00000000  0.00000000  0.00000000  302 2PE   A HO1   
2494 H H21   . 2PE   C .   ? 0.34168693 0.35993460 0.29871139 0.00675345  0.01949156  -0.00755465 302 2PE   A H21   
2495 H H22   . 2PE   C .   ? 0.34202445 0.35981148 0.29763198 0.00669321  0.01968635  -0.00725578 302 2PE   A H22   
2496 H H31   . 2PE   C .   ? 0.34256428 0.35825109 0.29477942 0.00481585  0.01631566  -0.00515377 302 2PE   A H31   
2497 H H32   . 2PE   C .   ? 0.34231862 0.35773450 0.29402459 0.00499088  0.01661065  -0.00504557 302 2PE   A H32   
2498 H H51   . 2PE   C .   ? 0.34222955 0.35256666 0.28251860 0.00018884  0.00840239  0.00278111  302 2PE   A H51   
2499 H H52   . 2PE   C .   ? 0.34228906 0.35285354 0.28187287 0.00001618  0.00820627  0.00284489  302 2PE   A H52   
2500 H H61   . 2PE   C .   ? 0.33548680 0.34869459 0.27522933 -0.00102962 0.00451463  0.00612228  302 2PE   A H61   
2501 H H62   . 2PE   C .   ? 0.33178589 0.34649241 0.27124798 -0.00054985 0.00383317  0.00434816  302 2PE   A H62   
2502 H H81   . 2PE   C .   ? 0.32899690 0.34062287 0.27653560 -0.00601563 0.00138499  0.00964172  302 2PE   A H81   
2503 H H82   . 2PE   C .   ? 0.33455426 0.34468257 0.28471985 -0.00579723 0.00166557  0.01098697  302 2PE   A H82   
2504 H H91   . 2PE   C .   ? 0.33659270 0.34104210 0.28837645 -0.00726368 0.00218093  0.01158926  302 2PE   A H91   
2505 H H92   . 2PE   C .   ? 0.33603188 0.34115124 0.28905797 -0.00720847 0.00199045  0.01139530  302 2PE   A H92   
2506 H H111  . 2PE   C .   ? 0.33840308 0.33985001 0.29075748 -0.01022825 0.00354257  0.01094870  302 2PE   A H111  
2507 H H112  . 2PE   C .   ? 0.33828557 0.34025121 0.29190129 -0.01018360 0.00297271  0.01072601  302 2PE   A H112  
2509 H H122  . 2PE   C .   ? 0.33910441 0.33994663 0.29334950 -0.01150706 0.00370630  0.01017878  302 2PE   A H122  
2510 S S     . SCN   D .   ? 0.27257732 0.21246079 0.08067529 0.01612404  0.03001626  0.00151118  303 SCN   A S     
2511 C C     . SCN   D .   ? 0.28113061 0.24987486 0.08985092 0.00704823  0.02671843  0.02296216  303 SCN   A C     
2512 N N     . SCN   D .   ? 0.28959525 0.27525932 0.10803709 0.00097167  0.02062361  0.04521181  303 SCN   A N     
2513 S S     . SCN   E .   ? 0.29090181 0.28597823 0.20055887 -0.00410342 0.02573787  0.00495889  304 SCN   A S     
2514 C C     . SCN   E .   ? 0.29371071 0.29010263 0.20375742 0.00211004  0.02290093  0.00478661  304 SCN   A C     
2515 N N     . SCN   E .   ? 0.29391316 0.29364675 0.20819953 0.00390767  0.02310740  -0.00081345 304 SCN   A N     
2516 O O     . HOH   F .   ? 0.35995340 0.26122952 0.21737102 -0.08587400 -0.00734997 0.08388159  401 HOH   A O     
2517 O O     . HOH   F .   ? 0.46760768 0.38395348 0.13504057 0.03314252  -0.03852938 -0.10952033 402 HOH   A O     
2518 O O     . HOH   F .   ? 0.35894465 0.25548309 0.20585069 -0.01819193 -0.08447079 0.05948639  403 HOH   A O     
2519 O O     . HOH   F .   ? 0.47188324 0.30103859 0.24913853 0.04686458  -0.11229769 -0.04939403 404 HOH   A O     
2520 O O     . HOH   F .   ? 0.43277210 0.29718757 0.03623674 -0.09233797 0.06281632  0.01657148  405 HOH   A O     
2521 O O     . HOH   F .   ? 0.18829083 0.18570270 0.10743797 -0.01147930 -0.00568460 -0.02145112 406 HOH   A O     
2522 O O     . HOH   F .   ? 0.41420221 0.38172519 0.50200510 0.02749898  -0.15708870 0.07522897  407 HOH   A O     
2523 O O     . HOH   F .   ? 0.32913375 0.43326464 0.22169915 -0.02072151 0.05086291  0.03130226  408 HOH   A O     
2524 O O     . HOH   F .   ? 0.52044857 0.34973201 0.36982080 -0.02544668 0.22408390  0.00023237  409 HOH   A O     
2525 O O     . HOH   F .   ? 0.18172650 0.21496856 0.09896728 0.00325766  0.02393941  -0.01619076 410 HOH   A O     
2526 O O     . HOH   F .   ? 0.20244506 0.16703092 0.06217382 0.00062296  -0.05365829 -0.00382865 411 HOH   A O     
2527 O O     . HOH   F .   ? 0.31087241 0.35010892 0.16723302 0.05822179  -0.01265136 0.03472254  412 HOH   A O     
2528 O O     . HOH   F .   ? 0.24697050 0.22515856 0.03196688 -0.01410550 0.00980413  -0.01929032 413 HOH   A O     
2529 O O     . HOH   F .   ? 0.19950467 0.18414028 0.18286389 0.00001802  -0.02955874 -0.03664091 414 HOH   A O     
2530 O O     . HOH   F .   ? 0.18683140 0.22533731 0.04891201 -0.00267268 -0.02909612 -0.00563542 415 HOH   A O     
2531 O O     . HOH   F .   ? 0.38674802 0.25623733 0.22085187 0.03929870  0.03162855  -0.03043154 416 HOH   A O     
2532 O O     . HOH   F .   ? 0.56136996 0.36888030 0.22931470 0.02889321  -0.05602030 -0.04614393 417 HOH   A O     
2533 O O     . HOH   F .   ? 0.18082976 0.17570466 0.04358940 0.00329482  0.01339147  0.01349819  418 HOH   A O     
2534 O O     . HOH   F .   ? 0.26824337 0.27584165 0.09988892 -0.02296059 0.01558420  -0.00860055 419 HOH   A O     
2535 O O     . HOH   F .   ? 0.19816251 0.29369995 0.04413630 0.01916399  0.01626012  -0.01852195 420 HOH   A O     
2536 O O     . HOH   F .   ? 0.17592837 0.19684748 0.05514758 0.01259563  0.01789241  0.00679710  421 HOH   A O     
2537 O O     . HOH   F .   ? 0.40589073 0.38427106 0.20138544 0.01591789  -0.06148705 0.06811394  422 HOH   A O     
2538 O O     . HOH   F .   ? 0.23963676 0.42675620 0.26493478 0.02686559  -0.05602843 -0.06646087 423 HOH   A O     
2539 O O     . HOH   F .   ? 0.30761155 0.53569776 0.43838897 0.04197139  -0.00780916 0.01638319  424 HOH   A O     
2540 O O     . HOH   F .   ? 0.27412722 0.21573058 0.05973579 0.02513435  -0.01813461 -0.01706711 425 HOH   A O     
2541 O O     . HOH   F .   ? 0.37210903 0.32669011 0.27083766 0.03060544  0.02274425  0.09301807  426 HOH   A O     
2542 O O     . HOH   F .   ? 0.47438109 0.38094068 0.37063166 -0.02703035 -0.05692805 -0.09609108 427 HOH   A O     
2543 O O     . HOH   F .   ? 0.44649041 0.52040839 0.22913274 -0.15959308 0.09532578  -0.05971875 428 HOH   A O     
2544 O O     . HOH   F .   ? 0.24325575 0.21015997 0.12298068 -0.01714622 -0.00959776 -0.02043300 429 HOH   A O     
2545 O O     . HOH   F .   ? 0.53325826 0.24025856 0.33595812 0.03987034  -0.25677031 -0.00014735 430 HOH   A O     
2546 O O     . HOH   F .   ? 0.23593591 0.44865015 0.13182826 0.04501454  0.00299392  -0.09792936 431 HOH   A O     
2547 O O     . HOH   F .   ? 0.25547653 0.32742348 0.13410154 -0.05342317 0.04697440  -0.04276605 432 HOH   A O     
2548 O O     . HOH   F .   ? 0.19930702 0.23697987 0.09055228 -0.03633874 0.05982664  -0.01459274 433 HOH   A O     
2549 O O     . HOH   F .   ? 0.20554064 0.26379851 0.04164340 0.03026636  0.00206201  -0.00825523 434 HOH   A O     
2550 O O     . HOH   F .   ? 0.44626778 0.45803654 0.21622922 -0.06130753 -0.01845534 0.02959534  435 HOH   A O     
2551 O O     . HOH   F .   ? 0.30065864 0.22335753 0.08168535 -0.00270101 0.04809708  -0.03134940 436 HOH   A O     
2552 O O     . HOH   F .   ? 0.25025308 0.33201498 0.09404281 -0.06112521 -0.02207576 -0.03132903 437 HOH   A O     
2553 O O     . HOH   F .   ? 0.32851529 0.47073704 0.28906861 0.06206165  0.00427176  -0.15576500 438 HOH   A O     
2554 O O     . HOH   F .   ? 0.49854398 0.29205421 0.36704844 0.15584460  0.07720570  0.05260403  439 HOH   A O     
2555 O O     . HOH   F .   ? 0.15642136 0.15628959 0.01812957 -0.01645830 0.00429485  -0.00859573 440 HOH   A O     
2556 O O     . HOH   F .   ? 0.33406883 0.35857910 0.23706222 0.05015913  0.08358794  0.04438226  441 HOH   A O     
2557 O O     . HOH   F .   ? 0.28786370 0.23261401 0.23963879 0.06182835  0.05136862  0.00051638  442 HOH   A O     
2558 O O     . HOH   F .   ? 0.24851829 0.19947886 0.09233863 0.02619295  -0.03602465 -0.02167342 443 HOH   A O     
2559 O O     . HOH   F .   ? 0.21402884 0.22493194 0.08879393 -0.01302968 -0.00463017 0.01001629  444 HOH   A O     
2560 O O     . HOH   F .   ? 0.24756867 0.16492008 0.04901230 0.00177037  0.01784116  -0.01557251 445 HOH   A O     
2561 O O     . HOH   F .   ? 0.22839996 0.18149988 0.04614245 -0.00757264 0.03002752  0.00324015  446 HOH   A O     
2562 O O     . HOH   F .   ? 0.27011433 0.70539707 0.11598627 0.05973613  0.00982084  -0.13730800 447 HOH   A O     
2563 O O     . HOH   F .   ? 0.32147148 0.29602641 0.17065120 -0.03119707 0.03365347  -0.04180295 448 HOH   A O     
2564 O O     . HOH   F .   ? 0.42987365 0.56022561 0.52455544 -0.01735463 0.06009753  -0.31304944 449 HOH   A O     
2565 O O     . HOH   F .   ? 0.34979245 0.36881983 0.22619428 0.00150213  0.02986344  0.03991280  450 HOH   A O     
2566 O O     . HOH   F .   ? 0.54380125 0.50906312 0.08513776 0.01621866  -0.01009466 0.02068667  451 HOH   A O     
2567 O O     . HOH   F .   ? 0.32876676 0.33870825 0.21145394 -0.12076376 -0.02802960 0.03807664  452 HOH   A O     
2568 O O     . HOH   F .   ? 0.25750023 0.38650769 0.44992617 -0.06983300 0.07864828  -0.13475671 453 HOH   A O     
2569 O O     . HOH   F .   ? 0.16154394 0.16682500 0.01122302 -0.00610410 -0.00004149 -0.00176024 454 HOH   A O     
2570 O O     . HOH   F .   ? 0.24964139 0.46334890 0.07686671 -0.08309531 0.02076620  0.00151411  455 HOH   A O     
2571 O O     . HOH   F .   ? 0.23071438 0.21480617 0.08818326 -0.01431534 0.01323812  -0.00372412 456 HOH   A O     
2572 O O     . HOH   F .   ? 0.16415015 0.21625540 0.04645563 0.02354465  0.01644689  -0.01171141 457 HOH   A O     
2573 O O     . HOH   F .   ? 0.24753395 0.36158976 0.21733586 0.05719462  0.03639566  0.00951039  458 HOH   A O     
2574 O O     . HOH   F .   ? 0.21056312 0.28193802 0.32314813 0.05680843  -0.04011607 -0.07405514 459 HOH   A O     
2575 O O     . HOH   F .   ? 0.36701119 0.53322864 0.30514446 0.01623159  -0.01323661 0.23930523  460 HOH   A O     
2576 O O     . HOH   F .   ? 0.25689209 0.28013289 0.06685292 -0.03590464 -0.00691395 -0.00798591 461 HOH   A O     
2577 O O     . HOH   F .   ? 0.38076916 0.26874629 0.17257814 0.03488951  0.04746531  0.06873485  462 HOH   A O     
2578 O O     . HOH   F .   ? 0.61818087 0.46350813 0.27547577 0.15168065  -0.03219212 -0.16081394 463 HOH   A O     
2579 O O     . HOH   F .   ? 0.37995839 0.31650996 0.15505637 -0.03011767 -0.00760768 0.02352691  464 HOH   A O     
2580 O O     . HOH   F .   ? 0.19203489 0.18937406 0.02879219 -0.00372765 -0.00025907 -0.00391866 465 HOH   A O     
2581 O O     . HOH   F .   ? 0.25552040 0.32779747 0.09107827 -0.04545490 0.04460936  -0.05351749 466 HOH   A O     
2582 O O     . HOH   F .   ? 0.29839504 0.24571916 0.49887794 0.01431173  -0.08427266 0.04163712  467 HOH   A O     
2583 O O     . HOH   F .   ? 0.21711399 0.21772587 0.20472683 -0.00510635 -0.02506682 0.01678583  468 HOH   A O     
2584 O O     . HOH   F .   ? 0.18146071 0.19360110 0.01884407 0.01534638  0.00825470  0.00539297  469 HOH   A O     
2585 O O     . HOH   F .   ? 0.56376696 0.46028870 0.15895776 0.02205503  0.15827920  -0.00882423 470 HOH   A O     
2586 O O     . HOH   F .   ? 0.39909315 0.40332657 0.13757940 0.03098291  0.03481367  0.09820701  471 HOH   A O     
2587 O O     . HOH   F .   ? 0.70948434 0.25670320 0.32002369 0.08956130  0.25098985  0.08396348  472 HOH   A O     
2588 O O     . HOH   F .   ? 0.32664412 0.42973864 0.29679880 0.04764511  -0.12445094 -0.01754676 473 HOH   A O     
2589 O O     . HOH   F .   ? 0.25768644 0.61693507 0.14232822 0.01926586  0.00281524  0.02906740  474 HOH   A O     
2590 O O     . HOH   F .   ? 0.26042619 0.26414350 0.05976708 0.02177622  0.00312592  0.00097992  475 HOH   A O     
2591 O O     . HOH   F .   ? 0.32488811 0.39751059 0.16648296 -0.04707587 0.09942336  -0.02431259 476 HOH   A O     
2592 O O     . HOH   F .   ? 0.43479860 0.23839198 0.20867726 0.00298824  0.09842507  -0.09515534 477 HOH   A O     
2593 O O     . HOH   F .   ? 0.49329007 0.35109377 0.40239298 0.06446180  0.09293652  -0.02860625 478 HOH   A O     
2594 O O     . HOH   F .   ? 0.37937668 0.32020941 0.06568824 0.02734388  -0.02039455 -0.00925260 479 HOH   A O     
2595 O O     . HOH   F .   ? 0.30455151 0.28070828 0.19854604 -0.04781648 -0.03444368 0.06148705  480 HOH   A O     
2596 O O     . HOH   F .   ? 0.22705752 0.24341214 0.07275123 0.00405235  0.00236377  0.01123048  481 HOH   A O     
2597 O O     . HOH   F .   ? 0.40491495 0.47571617 0.12728263 -0.01878726 -0.01274613 0.07299088  482 HOH   A O     
2598 O O     . HOH   F .   ? 0.33416796 0.31699339 0.14576970 -0.02550174 -0.07810750 -0.01505993 483 HOH   A O     
2599 O O     . HOH   F .   ? 0.23568383 0.30459785 0.17164257 -0.04607663 -0.05004974 0.01429183  484 HOH   A O     
2600 O O     . HOH   F .   ? 0.83179182 0.33740947 0.18832825 0.08253976  0.09532785  0.03297804  485 HOH   A O     
2601 O O     . HOH   F .   ? 0.44412529 0.25287431 0.07355350 0.01789355  -0.07217702 0.02909607  486 HOH   A O     
2602 O O     . HOH   F .   ? 0.29295889 0.33323616 0.54911244 -0.03063583 0.14960456  0.01074816  487 HOH   A O     
2603 O O     . HOH   F .   ? 0.20794284 0.35050926 0.16609614 -0.04340193 0.02326906  -0.00150460 488 HOH   A O     
2604 O O     . HOH   F .   ? 0.37081757 0.54117274 0.18922976 -0.07186545 -0.03015928 0.15328971  489 HOH   A O     
2605 O O     . HOH   F .   ? 0.19079904 0.19575609 0.02527805 0.01718582  -0.01468503 -0.02153165 490 HOH   A O     
2606 O O     . HOH   F .   ? 0.32405126 0.45934770 0.41687435 0.06165075  -0.04603858 -0.01034816 491 HOH   A O     
2607 O O     . HOH   F .   ? 0.29742992 0.33140206 0.14111397 -0.00621878 -0.04642023 0.07054545  492 HOH   A O     
2608 O O     . HOH   F .   ? 0.25233504 0.34238607 0.34966707 0.00380610  0.01704346  -0.06426182 493 HOH   A O     
2609 O O     . HOH   F .   ? 0.37031460 0.19286473 0.01993683 0.05059696  0.02744296  0.00302817  494 HOH   A O     
2610 O O     . HOH   F .   ? 0.44040519 0.41697985 0.12914944 0.01984402  -0.02632390 0.12621418  495 HOH   A O     
2611 O O     . HOH   F .   ? 0.24543861 0.42124099 0.41024128 -0.06371124 0.10940877  -0.20741807 496 HOH   A O     
2612 O O     . HOH   F .   ? 0.34270704 0.26696405 0.15730169 0.05323224  0.09495390  0.04843622  497 HOH   A O     
2613 O O     . HOH   F .   ? 0.50446725 0.63511860 0.21394092 -0.22277455 -0.03239341 0.10093154  498 HOH   A O     
2614 O O     . HOH   F .   ? 0.42054152 0.34010884 0.18273264 -0.06175167 0.06726374  -0.01258731 499 HOH   A O     
2615 O O     . HOH   F .   ? 0.45698434 0.40386105 0.17346379 -0.15227275 0.09469917  0.00133472  500 HOH   A O     
2616 O O     . HOH   F .   ? 0.30646911 0.39118165 0.61858088 0.03376433  0.00087116  -0.14984190 501 HOH   A O     
2617 O O     . HOH   F .   ? 0.28990996 0.30184555 0.18762568 0.01028029  0.03519861  -0.05775695 502 HOH   A O     
2618 O O     . HOH   F .   ? 0.20306975 0.33193734 0.08725203 0.03727836  0.00183264  -0.02453468 503 HOH   A O     
2619 O O     . HOH   F .   ? 0.21940061 0.26286921 0.01154750 0.07456192  -0.00613978 -0.01004861 504 HOH   A O     
2620 O O     . HOH   F .   ? 0.49066699 0.33482274 0.33105516 0.09613074  -0.12292701 -0.07016800 505 HOH   A O     
2621 O O     . HOH   F .   ? 0.32708973 0.44967923 0.12056849 -0.01636222 -0.00107281 0.07177530  506 HOH   A O     
2622 O O     . HOH   F .   ? 0.25733328 0.23950553 0.17706239 -0.01446395 -0.04694048 -0.00664074 507 HOH   A O     
2623 O O     . HOH   F .   ? 0.21881630 0.23828444 0.19783647 0.00647987  0.04774859  -0.04834124 508 HOH   A O     
2624 O O     . HOH   F .   ? 0.38267973 0.34571868 0.39797172 -0.04671244 -0.09379073 0.18003133  509 HOH   A O     
2625 O O     . HOH   F .   ? 0.22714053 0.23139995 0.11007493 0.00133214  0.03939808  -0.00613229 510 HOH   A O     
2626 O O     . HOH   F .   ? 0.60148495 0.29138798 0.08003795 -0.03671753 -0.01733151 0.05540489  511 HOH   A O     
2627 O O     . HOH   F .   ? 0.24839929 0.28046918 0.11569800 0.00477591  0.01989035  -0.05819923 512 HOH   A O     
2628 O O     . HOH   F .   ? 0.39465469 0.20704103 0.13195437 -0.01027143 -0.05339896 0.00017331  513 HOH   A O     
2629 O O     . HOH   F .   ? 0.26826501 0.43089917 0.29690671 0.00990180  0.02696805  -0.10843991 514 HOH   A O     
2630 O O     . HOH   F .   ? 0.37500378 0.53522182 0.18767194 0.07276316  -0.01211262 -0.00721522 515 HOH   A O     
2631 O O     . HOH   F .   ? 0.37316445 0.29819244 0.28565481 -0.03922362 0.08085782  0.09384310  516 HOH   A O     
2632 O O     . HOH   F .   ? 0.45195481 0.29453829 0.18278919 -0.06039504 -0.08447897 0.00113071  517 HOH   A O     
2633 O O     . HOH   F .   ? 0.64598769 0.49650329 0.13569489 -0.03815246 0.00470809  0.02267294  518 HOH   A O     
2634 O O     . HOH   F .   ? 0.27078873 0.36525986 0.19736946 0.00945890  -0.01909225 0.00181037  519 HOH   A O     
2635 O O     . HOH   F .   ? 0.38875654 0.50788862 0.51671898 0.03234170  -0.20302732 -0.09742379 520 HOH   A O     
2636 O O     . HOH   F .   ? 0.49153656 0.37007320 0.29616526 0.11861464  0.07036584  0.11638299  521 HOH   A O     
2637 O O     . HOH   F .   ? 0.23966004 0.16724031 0.34100875 0.00417363  -0.08714624 0.01660523  522 HOH   A O     
2638 O O     . HOH   F .   ? 0.25273162 0.35755286 0.55960685 -0.02088129 0.02706189  -0.04247361 523 HOH   A O     
2639 O O     . HOH   F .   ? 0.38262045 0.39693695 0.35941118 -0.02445018 -0.06081635 0.01402974  524 HOH   A O     
2640 O O     . HOH   F .   ? 0.68816423 0.26567343 0.27730191 -0.14159580 -0.17080940 -0.01116225 525 HOH   A O     
2641 O O     . HOH   F .   ? 0.38985673 0.32577348 0.28716597 0.06566206  -0.04471296 0.00347043  526 HOH   A O     
2642 O O     . HOH   F .   ? 0.32029167 0.30464393 0.40417099 -0.03254429 0.04112928  -0.07687822 527 HOH   A O     
2643 O O     . HOH   F .   ? 0.38590425 0.43455994 0.18222070 0.00919461  0.11425209  0.00100089  528 HOH   A O     
2644 O O     . HOH   F .   ? 0.16158623 0.16525939 0.03187158 0.03295157  -0.03061582 -0.00240120 529 HOH   A O     
2645 O O     . HOH   F .   ? 0.39319569 0.39455807 0.44853157 -0.04682188 0.10569447  -0.05728201 530 HOH   A O     
2646 O O     . HOH   F .   ? 0.62399387 0.44933778 0.17350809 0.02977055  -0.08186544 -0.06544556 531 HOH   A O     
2647 O O     . HOH   F .   ? 0.44572371 0.50707477 0.31057867 0.09137996  -0.07598227 0.07216052  532 HOH   A O     
2648 O O     . HOH   F .   ? 0.47099811 0.49577439 0.56046379 0.14003131  0.30777758  0.15747407  533 HOH   A O     
2649 O O     . HOH   F .   ? 0.35778773 0.46711117 0.27267259 -0.10475941 -0.04746792 -0.05523287 534 HOH   A O     
2650 O O     . HOH   F .   ? 0.70870310 0.34819230 0.16179049 -0.08088621 0.04960038  -0.05226820 535 HOH   A O     
2651 O O     . HOH   F .   ? 0.68297148 0.34334871 0.40902030 0.12121056  0.27789989  0.15783532  536 HOH   A O     
2652 O O     . HOH   F .   ? 0.24671128 0.28664362 0.07138237 -0.01081670 -0.00419022 0.02002865  537 HOH   A O     
2653 O O     . HOH   F .   ? 0.28245202 0.25601181 0.16876751 -0.02101223 -0.02209627 0.03773093  538 HOH   A O     
2654 O O     . HOH   F .   ? 0.35203573 0.52391160 0.25141579 0.02683472  0.07490899  -0.07334732 539 HOH   A O     
2655 O O     . HOH   F .   ? 0.53705549 0.62049580 0.12730069 0.24932268  -0.08512446 0.00194719  540 HOH   A O     
2656 O O     . HOH   F .   ? 0.40108186 0.41513988 0.38021296 0.00016907  0.05060774  0.01215263  541 HOH   A O     
2657 O O     . HOH   F .   ? 0.44738498 0.20179588 0.12478643 -0.11463742 0.05807754  -0.02321532 542 HOH   A O     
2658 O O     . HOH   F .   ? 0.53456914 0.28809655 0.42444447 0.08846167  -0.20683210 -0.01040351 543 HOH   A O     
2659 O O     . HOH   F .   ? 0.85865963 0.56129980 0.24722788 0.07126227  0.08064063  0.11825329  544 HOH   A O     
2660 O O     . HOH   F .   ? 0.40012905 0.52556992 0.25805321 0.06609091  0.13431358  0.00545980  545 HOH   A O     
2661 O O     . HOH   F .   ? 0.26470920 0.28335416 0.11073065 -0.06650735 0.01588867  -0.01517678 546 HOH   A O     
2662 O O     . HOH   F .   ? 0.24786517 0.27275905 0.07994180 0.00930618  0.00430445  -0.02937908 547 HOH   A O     
2663 O O     . HOH   F .   ? 0.49963760 0.54490381 0.51102513 0.15663284  0.05069089  -0.06069879 548 HOH   A O     
2664 O O     . HOH   F .   ? 0.63421452 0.47285527 0.27635112 -0.24551514 -0.12173787 0.08538738  549 HOH   A O     
2665 O O     . HOH   F .   ? 0.21351014 0.70014471 0.09544059 0.10300264  0.00485447  0.00854249  550 HOH   A O     
2666 O O     . HOH   F .   ? 0.48820636 0.39379716 0.37256160 -0.07252955 -0.20460941 0.09549463  551 HOH   A O     
2667 O O     . HOH   F .   ? 0.51871002 0.37183815 0.26536337 -0.06215748 -0.04562282 0.04874843  552 HOH   A O     
2668 O O     . HOH   F .   ? 0.45433149 0.56876647 0.55811673 -0.01342071 -0.12291191 -0.25885728 553 HOH   A O     
2669 O O     . HOH   F .   ? 0.23634708 0.22766504 0.27057013 -0.02764293 -0.13527004 -0.04094473 554 HOH   A O     
2670 O O     . HOH   F .   ? 0.41503710 0.44052643 0.23654228 -0.12906641 0.05074409  -0.04454672 555 HOH   A O     
2671 O O     . HOH   F .   ? 0.26259497 0.47099674 0.70654285 -0.02510310 -0.08619323 0.23166886  556 HOH   A O     
2672 O O     . HOH   F .   ? 0.32810608 0.37605658 0.22720036 0.03014697  0.11408000  -0.04587322 557 HOH   A O     
# 
