data_8VTC
# 
_entry.id   8VTC 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8VTC         pdb_00008vtc 10.2210/pdb8vtc/pdb 
WWPDB D_1000280539 ?            ?                   
# 
_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       2025-03-19 
_pdbx_audit_revision_history.part_number         ? 
# 
_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                        8VTC 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              dennis.wright@uconn.edu 
_pdbx_contact_author.name_first         Dennis 
_pdbx_contact_author.name_last          Wright 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4634-3351 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Erlandsen, H.' 1 0000-0002-0716-5460 
'Krucinska, J.' 2 0000-0002-3787-7194 
'Wright, D.'    3 0000-0003-4634-3351 
# 
_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                     
'Long Residence Time Inhibitors of Dihydrofolate Reductase Display Potent Activity Against Mycobacterium Avium.' 
_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 'Wright, L.'    1 ? 
primary 'Krucinska, J.' 2 ? 
primary 'Erlandsen, H.' 3 ? 
primary 'Haijan, B.'    4 ? 
primary 'Cynamon, M.'   5 ? 
primary 'Wright, D.'    6 ? 
# 
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 'Dihydrofolate reductase'                                   18451.822 1  1.5.1.3 ? 'residues 1-167' ? 
2 non-polymer syn 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' 745.421   1  ?       ? ?                ? 
3 non-polymer syn TRIMETHOPRIM                                                290.318   1  ?       ? ?                ? 
4 non-polymer syn 'CHLORIDE ION'                                              35.453    1  ?       ? ?                ? 
5 water       nat water                                                       18.015    46 ?       ? ?                ? 
# 
_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       
;MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGA
RVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYR
FHSYRRD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGA
RVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYR
FHSYRRD
;
_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 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' NDP 
3 TRIMETHOPRIM                                                TOP 
4 'CHLORIDE ION'                                              CL  
5 water                                                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   THR n 
1 3   ARG n 
1 4   ALA n 
1 5   GLU n 
1 6   VAL n 
1 7   GLY n 
1 8   LEU n 
1 9   VAL n 
1 10  TRP n 
1 11  ALA n 
1 12  GLN n 
1 13  SER n 
1 14  THR n 
1 15  SER n 
1 16  GLY n 
1 17  VAL n 
1 18  ILE n 
1 19  GLY n 
1 20  ARG n 
1 21  GLY n 
1 22  GLY n 
1 23  ASP n 
1 24  ILE n 
1 25  PRO n 
1 26  TRP n 
1 27  SER n 
1 28  VAL n 
1 29  PRO n 
1 30  GLU n 
1 31  ASP n 
1 32  LEU n 
1 33  THR n 
1 34  ARG n 
1 35  PHE n 
1 36  LYS n 
1 37  GLU n 
1 38  VAL n 
1 39  THR n 
1 40  MET n 
1 41  GLY n 
1 42  HIS n 
1 43  THR n 
1 44  VAL n 
1 45  ILE n 
1 46  MET n 
1 47  GLY n 
1 48  ARG n 
1 49  ARG n 
1 50  THR n 
1 51  TRP n 
1 52  GLU n 
1 53  SER n 
1 54  LEU n 
1 55  PRO n 
1 56  ALA n 
1 57  LYS n 
1 58  VAL n 
1 59  ARG n 
1 60  PRO n 
1 61  LEU n 
1 62  PRO n 
1 63  GLY n 
1 64  ARG n 
1 65  ARG n 
1 66  ASN n 
1 67  VAL n 
1 68  VAL n 
1 69  VAL n 
1 70  SER n 
1 71  ARG n 
1 72  ARG n 
1 73  PRO n 
1 74  ASP n 
1 75  PHE n 
1 76  VAL n 
1 77  ALA n 
1 78  GLU n 
1 79  GLY n 
1 80  ALA n 
1 81  ARG n 
1 82  VAL n 
1 83  ALA n 
1 84  GLY n 
1 85  SER n 
1 86  LEU n 
1 87  GLU n 
1 88  ALA n 
1 89  ALA n 
1 90  LEU n 
1 91  ALA n 
1 92  TYR n 
1 93  ALA n 
1 94  GLY n 
1 95  SER n 
1 96  ASP n 
1 97  PRO n 
1 98  ALA n 
1 99  PRO n 
1 100 TRP n 
1 101 VAL n 
1 102 ILE n 
1 103 GLY n 
1 104 GLY n 
1 105 ALA n 
1 106 GLN n 
1 107 ILE n 
1 108 TYR n 
1 109 LEU n 
1 110 LEU n 
1 111 ALA n 
1 112 LEU n 
1 113 PRO n 
1 114 HIS n 
1 115 ALA n 
1 116 THR n 
1 117 ARG n 
1 118 CYS n 
1 119 GLU n 
1 120 VAL n 
1 121 THR n 
1 122 GLU n 
1 123 ILE n 
1 124 GLU n 
1 125 ILE n 
1 126 ASP n 
1 127 LEU n 
1 128 ARG n 
1 129 ARG n 
1 130 ASP n 
1 131 ASP n 
1 132 ASP n 
1 133 ASP n 
1 134 ALA n 
1 135 LEU n 
1 136 ALA n 
1 137 PRO n 
1 138 ALA n 
1 139 LEU n 
1 140 ASP n 
1 141 ASP n 
1 142 SER n 
1 143 TRP n 
1 144 VAL n 
1 145 GLY n 
1 146 GLU n 
1 147 THR n 
1 148 GLY n 
1 149 GLU n 
1 150 TRP n 
1 151 LEU n 
1 152 ALA n 
1 153 SER n 
1 154 ARG n 
1 155 SER n 
1 156 GLY n 
1 157 LEU n 
1 158 ARG n 
1 159 TYR n 
1 160 ARG n 
1 161 PHE n 
1 162 HIS n 
1 163 SER n 
1 164 TYR n 
1 165 ARG n 
1 166 ARG n 
1 167 ASP 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                   167 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 folA 
_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      'Mycobacterium avium' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1764 
_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 
ALA 'L-peptide linking' y ALANINE                                                     ? 'C3 H7 N O2'        89.093  
ARG 'L-peptide linking' y ARGININE                                                    ? 'C6 H15 N4 O2 1'    175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                  ? 'C4 H8 N2 O3'       132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                             ? 'C4 H7 N O4'        133.103 
CL  non-polymer         . 'CHLORIDE ION'                                              ? 'Cl -1'             35.453  
CYS 'L-peptide linking' y CYSTEINE                                                    ? 'C3 H7 N O2 S'      121.158 
GLN 'L-peptide linking' y GLUTAMINE                                                   ? 'C5 H10 N2 O3'      146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                             ? 'C5 H9 N O4'        147.129 
GLY 'peptide linking'   y GLYCINE                                                     ? 'C2 H5 N O2'        75.067  
HIS 'L-peptide linking' y HISTIDINE                                                   ? 'C6 H10 N3 O2 1'    156.162 
HOH non-polymer         . WATER                                                       ? 'H2 O'              18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                  ? 'C6 H13 N O2'       131.173 
LEU 'L-peptide linking' y LEUCINE                                                     ? 'C6 H13 N O2'       131.173 
LYS 'L-peptide linking' y LYSINE                                                      ? 'C6 H15 N2 O2 1'    147.195 
MET 'L-peptide linking' y METHIONINE                                                  ? 'C5 H11 N O2 S'     149.211 
NDP non-polymer         . 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' ? 'C21 H30 N7 O17 P3' 745.421 
PHE 'L-peptide linking' y PHENYLALANINE                                               ? 'C9 H11 N O2'       165.189 
PRO 'L-peptide linking' y PROLINE                                                     ? 'C5 H9 N O2'        115.130 
SER 'L-peptide linking' y SERINE                                                      ? 'C3 H7 N O3'        105.093 
THR 'L-peptide linking' y THREONINE                                                   ? 'C4 H9 N O3'        119.119 
TOP non-polymer         . TRIMETHOPRIM                                                ? 'C14 H18 N4 O3'     290.318 
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   MET 1   1   ?   ?   ?   A . n 
A 1 2   THR 2   2   ?   ?   ?   A . n 
A 1 3   ARG 3   3   ?   ?   ?   A . n 
A 1 4   ALA 4   4   4   ALA ALA A . n 
A 1 5   GLU 5   5   5   GLU GLU A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   GLY 7   7   7   GLY GLY A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   VAL 9   9   9   VAL VAL A . n 
A 1 10  TRP 10  10  10  TRP TRP A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  GLN 12  12  12  GLN GLN A . n 
A 1 13  SER 13  13  13  SER SER A . n 
A 1 14  THR 14  14  14  THR THR A . n 
A 1 15  SER 15  15  15  SER SER A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  VAL 17  17  17  VAL VAL A . n 
A 1 18  ILE 18  18  18  ILE ILE A . n 
A 1 19  GLY 19  19  19  GLY GLY A . n 
A 1 20  ARG 20  20  20  ARG ARG A . n 
A 1 21  GLY 21  21  21  GLY GLY A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  ASP 23  23  23  ASP ASP A . n 
A 1 24  ILE 24  24  24  ILE ILE A . n 
A 1 25  PRO 25  25  25  PRO PRO A . n 
A 1 26  TRP 26  26  26  TRP TRP A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  VAL 28  28  28  VAL VAL A . n 
A 1 29  PRO 29  29  29  PRO PRO A . n 
A 1 30  GLU 30  30  30  GLU GLU A . n 
A 1 31  ASP 31  31  31  ASP ASP A . n 
A 1 32  LEU 32  32  32  LEU LEU A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  ARG 34  34  34  ARG ARG A . n 
A 1 35  PHE 35  35  35  PHE PHE A . n 
A 1 36  LYS 36  36  36  LYS LYS A . n 
A 1 37  GLU 37  37  37  GLU GLU A . n 
A 1 38  VAL 38  38  38  VAL VAL A . n 
A 1 39  THR 39  39  39  THR THR A . n 
A 1 40  MET 40  40  40  MET MET A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  HIS 42  42  42  HIS HIS A . n 
A 1 43  THR 43  43  43  THR THR A . n 
A 1 44  VAL 44  44  44  VAL VAL A . n 
A 1 45  ILE 45  45  45  ILE ILE A . n 
A 1 46  MET 46  46  46  MET MET A . n 
A 1 47  GLY 47  47  47  GLY GLY A . n 
A 1 48  ARG 48  48  48  ARG ARG A . n 
A 1 49  ARG 49  49  49  ARG ARG A . n 
A 1 50  THR 50  50  50  THR THR A . n 
A 1 51  TRP 51  51  51  TRP TRP A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  SER 53  53  53  SER SER A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  PRO 55  55  55  PRO PRO A . n 
A 1 56  ALA 56  56  56  ALA ALA A . n 
A 1 57  LYS 57  57  57  LYS LYS A . n 
A 1 58  VAL 58  58  58  VAL VAL A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  PRO 60  60  60  PRO PRO A . n 
A 1 61  LEU 61  61  61  LEU LEU A . n 
A 1 62  PRO 62  62  62  PRO PRO A . n 
A 1 63  GLY 63  63  63  GLY GLY A . n 
A 1 64  ARG 64  64  64  ARG ARG A . n 
A 1 65  ARG 65  65  65  ARG ARG A . n 
A 1 66  ASN 66  66  66  ASN ASN A . n 
A 1 67  VAL 67  67  67  VAL VAL A . n 
A 1 68  VAL 68  68  68  VAL VAL A . n 
A 1 69  VAL 69  69  69  VAL VAL A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ARG 71  71  71  ARG ARG A . n 
A 1 72  ARG 72  72  72  ARG ARG A . n 
A 1 73  PRO 73  73  73  PRO PRO A . n 
A 1 74  ASP 74  74  74  ASP ASP A . n 
A 1 75  PHE 75  75  75  PHE PHE A . n 
A 1 76  VAL 76  76  76  VAL VAL A . n 
A 1 77  ALA 77  77  77  ALA ALA A . n 
A 1 78  GLU 78  78  78  GLU GLU A . n 
A 1 79  GLY 79  79  79  GLY GLY A . n 
A 1 80  ALA 80  80  80  ALA ALA A . n 
A 1 81  ARG 81  81  81  ARG ARG A . n 
A 1 82  VAL 82  82  82  VAL VAL A . n 
A 1 83  ALA 83  83  83  ALA ALA A . n 
A 1 84  GLY 84  84  84  GLY GLY A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  LEU 86  86  86  LEU LEU A . n 
A 1 87  GLU 87  87  87  GLU GLU A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  ALA 89  89  89  ALA ALA A . n 
A 1 90  LEU 90  90  90  LEU LEU A . n 
A 1 91  ALA 91  91  91  ALA ALA A . n 
A 1 92  TYR 92  92  92  TYR TYR A . n 
A 1 93  ALA 93  93  93  ALA ALA A . n 
A 1 94  GLY 94  94  94  GLY GLY A . n 
A 1 95  SER 95  95  95  SER SER A . n 
A 1 96  ASP 96  96  96  ASP ASP A . n 
A 1 97  PRO 97  97  97  PRO PRO A . n 
A 1 98  ALA 98  98  98  ALA ALA A . n 
A 1 99  PRO 99  99  99  PRO PRO A . n 
A 1 100 TRP 100 100 100 TRP TRP A . n 
A 1 101 VAL 101 101 101 VAL VAL A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 GLY 103 103 103 GLY GLY A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 GLN 106 106 106 GLN GLN A . n 
A 1 107 ILE 107 107 107 ILE ILE A . n 
A 1 108 TYR 108 108 108 TYR TYR A . n 
A 1 109 LEU 109 109 109 LEU LEU A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 ALA 111 111 111 ALA ALA A . n 
A 1 112 LEU 112 112 112 LEU LEU A . n 
A 1 113 PRO 113 113 113 PRO PRO A . n 
A 1 114 HIS 114 114 114 HIS HIS A . n 
A 1 115 ALA 115 115 115 ALA ALA A . n 
A 1 116 THR 116 116 116 THR THR A . n 
A 1 117 ARG 117 117 117 ARG ARG A . n 
A 1 118 CYS 118 118 118 CYS CYS A . n 
A 1 119 GLU 119 119 119 GLU GLU A . n 
A 1 120 VAL 120 120 120 VAL VAL A . n 
A 1 121 THR 121 121 121 THR THR A . n 
A 1 122 GLU 122 122 122 GLU GLU A . n 
A 1 123 ILE 123 123 123 ILE ILE A . n 
A 1 124 GLU 124 124 124 GLU GLU A . n 
A 1 125 ILE 125 125 125 ILE ILE A . n 
A 1 126 ASP 126 126 126 ASP ASP A . n 
A 1 127 LEU 127 127 127 LEU LEU A . n 
A 1 128 ARG 128 128 128 ARG ARG A . n 
A 1 129 ARG 129 129 129 ARG ARG A . n 
A 1 130 ASP 130 130 130 ASP ASP A . n 
A 1 131 ASP 131 131 131 ASP ASP A . n 
A 1 132 ASP 132 132 132 ASP ASP A . n 
A 1 133 ASP 133 133 133 ASP ASP A . n 
A 1 134 ALA 134 134 134 ALA ALA A . n 
A 1 135 LEU 135 135 135 LEU LEU A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 PRO 137 137 137 PRO PRO A . n 
A 1 138 ALA 138 138 138 ALA ALA A . n 
A 1 139 LEU 139 139 139 LEU LEU A . n 
A 1 140 ASP 140 140 140 ASP ASP A . n 
A 1 141 ASP 141 141 141 ASP ASP A . n 
A 1 142 SER 142 142 142 SER SER A . n 
A 1 143 TRP 143 143 143 TRP TRP A . n 
A 1 144 VAL 144 144 144 VAL VAL A . n 
A 1 145 GLY 145 145 145 GLY GLY A . n 
A 1 146 GLU 146 146 146 GLU GLU A . n 
A 1 147 THR 147 147 147 THR THR A . n 
A 1 148 GLY 148 148 148 GLY GLY A . n 
A 1 149 GLU 149 149 149 GLU GLU A . n 
A 1 150 TRP 150 150 150 TRP TRP A . n 
A 1 151 LEU 151 151 151 LEU LEU A . n 
A 1 152 ALA 152 152 152 ALA ALA A . n 
A 1 153 SER 153 153 153 SER SER A . n 
A 1 154 ARG 154 154 154 ARG ARG A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 GLY 156 156 156 GLY GLY A . n 
A 1 157 LEU 157 157 157 LEU LEU A . n 
A 1 158 ARG 158 158 158 ARG ARG A . n 
A 1 159 TYR 159 159 159 TYR TYR A . n 
A 1 160 ARG 160 160 160 ARG ARG A . n 
A 1 161 PHE 161 161 161 PHE PHE A . n 
A 1 162 HIS 162 162 162 HIS HIS A . n 
A 1 163 SER 163 163 163 SER SER A . n 
A 1 164 TYR 164 164 164 TYR TYR A . n 
A 1 165 ARG 165 165 165 ARG ARG A . n 
A 1 166 ARG 166 166 166 ARG ARG A . n 
A 1 167 ASP 167 167 167 ASP ASP A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 NDP ? ? NDP ? ? 'SUBJECT OF INVESTIGATION' ? 
2 TOP ? ? TOP ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 NDP 1  201 1168 NDP NDP A . 
C 3 TOP 1  202 1169 TOP TOP A . 
D 4 CL  1  203 1    CL  CL  A . 
E 5 HOH 1  301 22   HOH HOH A . 
E 5 HOH 2  302 24   HOH HOH A . 
E 5 HOH 3  303 30   HOH HOH A . 
E 5 HOH 4  304 40   HOH HOH A . 
E 5 HOH 5  305 8    HOH HOH A . 
E 5 HOH 6  306 10   HOH HOH A . 
E 5 HOH 7  307 15   HOH HOH A . 
E 5 HOH 8  308 48   HOH HOH A . 
E 5 HOH 9  309 28   HOH HOH A . 
E 5 HOH 10 310 36   HOH HOH A . 
E 5 HOH 11 311 19   HOH HOH A . 
E 5 HOH 12 312 37   HOH HOH A . 
E 5 HOH 13 313 7    HOH HOH A . 
E 5 HOH 14 314 1    HOH HOH A . 
E 5 HOH 15 315 2    HOH HOH A . 
E 5 HOH 16 316 5    HOH HOH A . 
E 5 HOH 17 317 39   HOH HOH A . 
E 5 HOH 18 318 46   HOH HOH A . 
E 5 HOH 19 319 26   HOH HOH A . 
E 5 HOH 20 320 31   HOH HOH A . 
E 5 HOH 21 321 20   HOH HOH A . 
E 5 HOH 22 322 12   HOH HOH A . 
E 5 HOH 23 323 9    HOH HOH A . 
E 5 HOH 24 324 4    HOH HOH A . 
E 5 HOH 25 325 25   HOH HOH A . 
E 5 HOH 26 326 17   HOH HOH A . 
E 5 HOH 27 327 16   HOH HOH A . 
E 5 HOH 28 328 44   HOH HOH A . 
E 5 HOH 29 329 34   HOH HOH A . 
E 5 HOH 30 330 3    HOH HOH A . 
E 5 HOH 31 331 21   HOH HOH A . 
E 5 HOH 32 332 32   HOH HOH A . 
E 5 HOH 33 333 47   HOH HOH A . 
E 5 HOH 34 334 45   HOH HOH A . 
E 5 HOH 35 335 11   HOH HOH A . 
E 5 HOH 36 336 23   HOH HOH A . 
E 5 HOH 37 337 49   HOH HOH A . 
E 5 HOH 38 338 35   HOH HOH A . 
E 5 HOH 39 339 33   HOH HOH A . 
E 5 HOH 40 340 43   HOH HOH A . 
E 5 HOH 41 341 18   HOH HOH A . 
E 5 HOH 42 342 29   HOH HOH A . 
E 5 HOH 43 343 13   HOH HOH A . 
E 5 HOH 44 344 27   HOH HOH A . 
E 5 HOH 45 345 38   HOH HOH A . 
E 5 HOH 46 346 41   HOH HOH A . 
# 
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   ? ? ? 5.8.0425 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS      ? ? ? .        4 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless  ? ? ? .        5 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        6 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VTC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.251 
_cell.length_a_esd                 ? 
_cell.length_b                     70.251 
_cell.length_b_esd                 ? 
_cell.length_c                     73.511 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         8VTC 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_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                   8VTC 
_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             2.46 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.95 
_exptl_crystal.description                  Rod-shaped 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    '55% MPD, 0.1 M Hepes pH 7.5 and 2 mM DTT' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277.15 
# 
_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 EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-06-20 
_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                    'Double Crystal Monochromator, Si(111)' 
_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   0.97933 
_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                        'NSLS-II BEAMLINE 17-ID-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97933 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-1 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VTC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.00 
_reflns.d_resolution_low                               29.564 
_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                                     12872 
_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                           99.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                1.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.0 
_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                                0.034 
_reflns.pdbx_Rpim_I_all                                0.024 
_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                              0.024 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_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 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
8.94 29.55 ? 30.1 ? ? ? ? 183 ? ? ? ? ? ? ? ? ? ? ? 1.5 ? ? ? 0.019 0.014 ? 1 1 0.999 ? ? 97.6 ? 0.014 ? ? ? ? ? ? ? ? ? 
2.00 2.05  ? 2.9  ? ? ? ? 891 ? ? ? ? ? ? ? ? ? ? ? 1.9 ? ? ? 0.292 0.206 ? 2 1 0.921 ? ? 96.9 ? 0.206 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            1.722 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            1.722 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -3.444 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               41.220 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.970 
_refine.correlation_coeff_Fo_to_Fc_free          0.934 
_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                                 8VTC 
_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                            2.000 
_refine.ls_d_res_low                             29.564 
_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                     12848 
_refine.ls_number_reflns_R_free                  665 
_refine.ls_number_reflns_R_work                  12183 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.052 
_refine.ls_percent_reflns_R_free                 5.176 
_refine.ls_R_factor_all                          0.171 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2403 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1666 
_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                      0.262 
_refine.ls_wR_factor_R_work                      0.174 
_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                       ? 
_refine.pdbx_overall_ESU_R_Free                  0.166 
_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                             9.377 
_refine.overall_SU_ML                            0.124 
_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                    0.9801 
_refine.pdbx_average_fsc_free                    0.9611 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.000 
_refine_hist.d_res_low                        29.564 
_refine_hist.number_atoms_solvent             46 
_refine_hist.number_atoms_total               1389 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1273 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         70 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.007  0.012   1385 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.016   1269 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.710  1.820   1897 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.555  1.761   2901 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.699  5.000   165  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.641 5.000   26   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.640  5.000   4    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.419 10.000  201  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.582 10.000  60   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.066  0.200   203  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020   1699 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020   340  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.206  0.200   228  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200   1184 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200   670  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200   727  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.144  0.200   59   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200   1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.406  0.200   6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.311  0.200   31   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200   5    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 5.697  2.711   660  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.701  465.063 660  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.409  4.862   825  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 8.406  10.057  826  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.949  2.968   725  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.950  ?       726  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 9.924  5.328   1072 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 9.919  5.327   1073 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 15.178 ?       5854 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 15.187 ?       5843 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.450  3.000   1385 ? 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' 2.000 2.051  921 . 47 840 96.3084  . 0.207 . . 0.207 . . . . . 0.190 . 20 . 0.965 0.966 0.213 
'X-RAY DIFFRACTION' 2.051 2.107  912 . 38 863 98.7939  . 0.187 . . 0.182 . . . . . 0.164 . 20 . 0.974 0.936 0.297 
'X-RAY DIFFRACTION' 2.107 2.168  906 . 48 846 98.6755  . 0.189 . . 0.187 . . . . . 0.166 . 20 . 0.973 0.968 0.209 
'X-RAY DIFFRACTION' 2.168 2.235  837 . 35 793 98.9247  . 0.187 . . 0.182 . . . . . 0.164 . 20 . 0.977 0.948 0.283 
'X-RAY DIFFRACTION' 2.235 2.307  843 . 20 814 98.9324  . 0.177 . . 0.175 . . . . . 0.161 . 20 . 0.980 0.951 0.271 
'X-RAY DIFFRACTION' 2.307 2.388  806 . 31 769 99.2556  . 0.174 . . 0.169 . . . . . 0.154 . 20 . 0.981 0.929 0.324 
'X-RAY DIFFRACTION' 2.388 2.477  788 . 29 754 99.3655  . 0.169 . . 0.165 . . . . . 0.150 . 20 . 0.984 0.964 0.252 
'X-RAY DIFFRACTION' 2.477 2.578  754 . 38 712 99.4695  . 0.172 . . 0.169 . . . . . 0.157 . 20 . 0.984 0.973 0.229 
'X-RAY DIFFRACTION' 2.578 2.691  740 . 40 696 99.4595  . 0.163 . . 0.159 . . . . . 0.148 . 20 . 0.984 0.964 0.248 
'X-RAY DIFFRACTION' 2.691 2.822  702 . 54 644 99.4302  . 0.177 . . 0.166 . . . . . 0.160 . 20 . 0.983 0.948 0.301 
'X-RAY DIFFRACTION' 2.822 2.973  651 . 44 603 99.3856  . 0.180 . . 0.178 . . . . . 0.169 . 20 . 0.981 0.973 0.210 
'X-RAY DIFFRACTION' 2.973 3.151  632 . 56 573 99.5253  . 0.180 . . 0.173 . . . . . 0.173 . 20 . 0.982 0.958 0.253 
'X-RAY DIFFRACTION' 3.151 3.366  606 . 26 577 99.5049  . 0.159 . . 0.157 . . . . . 0.161 . 20 . 0.984 0.978 0.202 
'X-RAY DIFFRACTION' 3.366 3.632  563 . 25 537 99.8224  . 0.172 . . 0.169 . . . . . 0.177 . 20 . 0.982 0.961 0.231 
'X-RAY DIFFRACTION' 3.632 3.972  525 . 24 497 99.2381  . 0.160 . . 0.157 . . . . . 0.173 . 20 . 0.984 0.970 0.230 
'X-RAY DIFFRACTION' 3.972 4.431  478 . 43 435 100.0000 . 0.140 . . 0.137 . . . . . 0.163 . 20 . 0.989 0.982 0.162 
'X-RAY DIFFRACTION' 4.431 5.098  426 . 20 405 99.7653  . 0.138 . . 0.135 . . . . . 0.162 . 20 . 0.989 0.973 0.228 
'X-RAY DIFFRACTION' 5.098 6.197  374 . 19 354 99.7326  . 0.207 . . 0.202 . . . . . 0.237 . 20 . 0.980 0.967 0.292 
'X-RAY DIFFRACTION' 6.197 8.578  299 . 23 276 100.0000 . 0.201 . . 0.191 . . . . . 0.233 . 20 . 0.980 0.951 0.326 
'X-RAY DIFFRACTION' 8.578 29.564 200 . 5  195 100.0000 . 0.170 . . 0.170 . . . . . 0.212 . 20 . 0.979 0.971 0.194 
# 
_struct.entry_id                     8VTC 
_struct.title                        
'Crystal structure of Mycobacterium avium dihydrofolate reductase in complex with NADPH and trimethoprim' 
_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        8VTC 
_struct_keywords.text            
'dihydrofolate reductase, Mycobacterium avium, trimetoprim, OXIDOREDUCTASE, OXIDOREDUCTASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE/INHIBITOR 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    O30463_MYCAV 
_struct_ref.pdbx_db_accession          O30463 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGA
RVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYR
FHSYRRD
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8VTC 
_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                 167 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             O30463 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  167 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       167 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_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 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 VAL A 28  ? MET A 40  ? VAL A 28  MET A 40  1 ? 13 
HELX_P HELX_P2 AA2 ARG A 48  ? LEU A 54  ? ARG A 48  LEU A 54  1 ? 7  
HELX_P HELX_P3 AA3 SER A 85  ? ALA A 93  ? SER A 85  ALA A 93  1 ? 9  
HELX_P HELX_P4 AA4 GLY A 104 ? LEU A 112 ? GLY A 104 LEU A 112 1 ? 9  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 ARG 59  A . ? ARG 59  A PRO 60  A ? PRO 60  A 1 -6.09 
2 GLY 103 A . ? GLY 103 A GLY 104 A ? GLY 104 A 1 6.06  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 8 ? 
AA3 ? 2 ? 
# 
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 ? parallel      
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA1 4 5 ? parallel      
AA1 5 6 ? parallel      
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? parallel      
AA2 3 4 ? parallel      
AA2 4 5 ? parallel      
AA2 5 6 ? parallel      
AA2 6 7 ? anti-parallel 
AA2 7 8 ? anti-parallel 
AA3 1 2 ? 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 ARG A 81  ? ALA A 83  ? ARG A 81  ALA A 83  
AA1 2 ARG A 65  ? VAL A 69  ? ARG A 65  VAL A 69  
AA1 3 THR A 43  ? GLY A 47  ? THR A 43  GLY A 47  
AA1 4 TRP A 100 ? VAL A 101 ? TRP A 100 VAL A 101 
AA1 5 VAL A 6   ? SER A 13  ? VAL A 6   SER A 13  
AA1 6 ALA A 115 ? GLU A 124 ? ALA A 115 GLU A 124 
AA1 7 ARG A 158 ? ARG A 165 ? ARG A 158 ARG A 165 
AA1 8 VAL A 144 ? THR A 147 ? VAL A 144 THR A 147 
AA2 1 ARG A 81  ? ALA A 83  ? ARG A 81  ALA A 83  
AA2 2 ARG A 65  ? VAL A 69  ? ARG A 65  VAL A 69  
AA2 3 THR A 43  ? GLY A 47  ? THR A 43  GLY A 47  
AA2 4 TRP A 100 ? VAL A 101 ? TRP A 100 VAL A 101 
AA2 5 VAL A 6   ? SER A 13  ? VAL A 6   SER A 13  
AA2 6 ALA A 115 ? GLU A 124 ? ALA A 115 GLU A 124 
AA2 7 ARG A 158 ? ARG A 165 ? ARG A 158 ARG A 165 
AA2 8 LEU A 151 ? ALA A 152 ? LEU A 151 ALA A 152 
AA3 1 VAL A 17  ? GLY A 19  ? VAL A 17  GLY A 19  
AA3 2 ALA A 134 ? LEU A 135 ? ALA A 134 LEU A 135 
# 
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 O ALA A 83  ? O ALA A 83  N VAL A 68  ? N VAL A 68  
AA1 2 3 O VAL A 69  ? O VAL A 69  N MET A 46  ? N MET A 46  
AA1 3 4 N ILE A 45  ? N ILE A 45  O TRP A 100 ? O TRP A 100 
AA1 4 5 O VAL A 101 ? O VAL A 101 N GLY A 7   ? N GLY A 7   
AA1 5 6 N GLN A 12  ? N GLN A 12  O ILE A 123 ? O ILE A 123 
AA1 6 7 N VAL A 120 ? N VAL A 120 O HIS A 162 ? O HIS A 162 
AA1 7 8 O ARG A 165 ? O ARG A 165 N VAL A 144 ? N VAL A 144 
AA2 1 2 O ALA A 83  ? O ALA A 83  N VAL A 68  ? N VAL A 68  
AA2 2 3 O VAL A 69  ? O VAL A 69  N MET A 46  ? N MET A 46  
AA2 3 4 N ILE A 45  ? N ILE A 45  O TRP A 100 ? O TRP A 100 
AA2 4 5 O VAL A 101 ? O VAL A 101 N GLY A 7   ? N GLY A 7   
AA2 5 6 N GLN A 12  ? N GLN A 12  O ILE A 123 ? O ILE A 123 
AA2 6 7 N VAL A 120 ? N VAL A 120 O HIS A 162 ? O HIS A 162 
AA2 7 8 O TYR A 159 ? O TYR A 159 N LEU A 151 ? N LEU A 151 
AA3 1 2 N ILE A 18  ? N ILE A 18  O ALA A 134 ? O ALA A 134 
# 
_pdbx_entry_details.entry_id                   8VTC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_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   H 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    78 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    302 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.53 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CG A MET 40  ? ? SD A MET 40  ? ? CE  A MET 40  ? ? 110.83 100.20 10.63 1.60 N 
2 1 NE A ARG 154 ? ? CZ A ARG 154 ? ? NH1 A ARG 154 ? ? 123.99 120.30 3.69  0.50 N 
3 1 NE A ARG 154 ? ? CZ A ARG 154 ? ? NH2 A ARG 154 ? ? 114.55 120.30 -5.75 0.50 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    PRO 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     25 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -89.95 
_pdbx_validate_torsion.psi             45.43 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 49  ? ? 0.112 'SIDE CHAIN' 
2 1 ARG A 59  ? ? 0.100 'SIDE CHAIN' 
3 1 ARG A 65  ? ? 0.082 'SIDE CHAIN' 
4 1 ARG A 72  ? ? 0.085 'SIDE CHAIN' 
5 1 ARG A 81  ? ? 0.122 'SIDE CHAIN' 
6 1 ARG A 129 ? ? 0.106 'SIDE CHAIN' 
7 1 ARG A 154 ? ? 0.231 'SIDE CHAIN' 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -15.2031 
_pdbx_refine_tls.origin_y         19.1062 
_pdbx_refine_tls.origin_z         -2.7846 
_pdbx_refine_tls.T[1][1]          0.0163 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0116 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0078 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.0396 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0199 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.0503 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.4048 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          0.8055 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.0295 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          2.8391 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          -1.0765 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          3.7114 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.0213 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          -0.2349 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.0315 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.1116 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          -0.0235 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          0.0494 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          0.1045 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          -0.1184 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0022 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    Ap 
_pdbx_refine_tls_group.beg_auth_seq_id     4 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    Ap 
_pdbx_refine_tls_group.end_auth_seq_id     1169 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ALL 
_pdbx_refine_tls_group.selection_details   ? 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A MET 1 ? A MET 1 
2 1 Y 1 A THR 2 ? A THR 2 
3 1 Y 1 A ARG 3 ? A ARG 3 
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
HIS N    N  N N 138 
HIS CA   C  N S 139 
HIS C    C  N N 140 
HIS O    O  N N 141 
HIS CB   C  N N 142 
HIS CG   C  Y N 143 
HIS ND1  N  Y N 144 
HIS CD2  C  Y N 145 
HIS CE1  C  Y N 146 
HIS NE2  N  Y N 147 
HIS OXT  O  N N 148 
HIS H    H  N N 149 
HIS H2   H  N N 150 
HIS HA   H  N N 151 
HIS HB2  H  N N 152 
HIS HB3  H  N N 153 
HIS HD1  H  N N 154 
HIS HD2  H  N N 155 
HIS HE1  H  N N 156 
HIS HE2  H  N N 157 
HIS HXT  H  N N 158 
HOH O    O  N N 159 
HOH H1   H  N N 160 
HOH H2   H  N N 161 
ILE N    N  N N 162 
ILE CA   C  N S 163 
ILE C    C  N N 164 
ILE O    O  N N 165 
ILE CB   C  N S 166 
ILE CG1  C  N N 167 
ILE CG2  C  N N 168 
ILE CD1  C  N N 169 
ILE OXT  O  N N 170 
ILE H    H  N N 171 
ILE H2   H  N N 172 
ILE HA   H  N N 173 
ILE HB   H  N N 174 
ILE HG12 H  N N 175 
ILE HG13 H  N N 176 
ILE HG21 H  N N 177 
ILE HG22 H  N N 178 
ILE HG23 H  N N 179 
ILE HD11 H  N N 180 
ILE HD12 H  N N 181 
ILE HD13 H  N N 182 
ILE HXT  H  N N 183 
LEU N    N  N N 184 
LEU CA   C  N S 185 
LEU C    C  N N 186 
LEU O    O  N N 187 
LEU CB   C  N N 188 
LEU CG   C  N N 189 
LEU CD1  C  N N 190 
LEU CD2  C  N N 191 
LEU OXT  O  N N 192 
LEU H    H  N N 193 
LEU H2   H  N N 194 
LEU HA   H  N N 195 
LEU HB2  H  N N 196 
LEU HB3  H  N N 197 
LEU HG   H  N N 198 
LEU HD11 H  N N 199 
LEU HD12 H  N N 200 
LEU HD13 H  N N 201 
LEU HD21 H  N N 202 
LEU HD22 H  N N 203 
LEU HD23 H  N N 204 
LEU HXT  H  N N 205 
LYS N    N  N N 206 
LYS CA   C  N S 207 
LYS C    C  N N 208 
LYS O    O  N N 209 
LYS CB   C  N N 210 
LYS CG   C  N N 211 
LYS CD   C  N N 212 
LYS CE   C  N N 213 
LYS NZ   N  N N 214 
LYS OXT  O  N N 215 
LYS H    H  N N 216 
LYS H2   H  N N 217 
LYS HA   H  N N 218 
LYS HB2  H  N N 219 
LYS HB3  H  N N 220 
LYS HG2  H  N N 221 
LYS HG3  H  N N 222 
LYS HD2  H  N N 223 
LYS HD3  H  N N 224 
LYS HE2  H  N N 225 
LYS HE3  H  N N 226 
LYS HZ1  H  N N 227 
LYS HZ2  H  N N 228 
LYS HZ3  H  N N 229 
LYS HXT  H  N N 230 
MET N    N  N N 231 
MET CA   C  N S 232 
MET C    C  N N 233 
MET O    O  N N 234 
MET CB   C  N N 235 
MET CG   C  N N 236 
MET SD   S  N N 237 
MET CE   C  N N 238 
MET OXT  O  N N 239 
MET H    H  N N 240 
MET H2   H  N N 241 
MET HA   H  N N 242 
MET HB2  H  N N 243 
MET HB3  H  N N 244 
MET HG2  H  N N 245 
MET HG3  H  N N 246 
MET HE1  H  N N 247 
MET HE2  H  N N 248 
MET HE3  H  N N 249 
MET HXT  H  N N 250 
NDP PA   P  N S 251 
NDP O1A  O  N N 252 
NDP O2A  O  N N 253 
NDP O5B  O  N N 254 
NDP C5B  C  N N 255 
NDP C4B  C  N R 256 
NDP O4B  O  N N 257 
NDP C3B  C  N R 258 
NDP O3B  O  N N 259 
NDP C2B  C  N R 260 
NDP O2B  O  N N 261 
NDP C1B  C  N R 262 
NDP N9A  N  Y N 263 
NDP C8A  C  Y N 264 
NDP N7A  N  Y N 265 
NDP C5A  C  Y N 266 
NDP C6A  C  Y N 267 
NDP N6A  N  N N 268 
NDP N1A  N  Y N 269 
NDP C2A  C  Y N 270 
NDP N3A  N  Y N 271 
NDP C4A  C  Y N 272 
NDP O3   O  N N 273 
NDP PN   P  N S 274 
NDP O1N  O  N N 275 
NDP O2N  O  N N 276 
NDP O5D  O  N N 277 
NDP C5D  C  N N 278 
NDP C4D  C  N R 279 
NDP O4D  O  N N 280 
NDP C3D  C  N S 281 
NDP O3D  O  N N 282 
NDP C2D  C  N R 283 
NDP O2D  O  N N 284 
NDP C1D  C  N R 285 
NDP N1N  N  N N 286 
NDP C2N  C  N N 287 
NDP C3N  C  N N 288 
NDP C7N  C  N N 289 
NDP O7N  O  N N 290 
NDP N7N  N  N N 291 
NDP C4N  C  N N 292 
NDP C5N  C  N N 293 
NDP C6N  C  N N 294 
NDP P2B  P  N N 295 
NDP O1X  O  N N 296 
NDP O2X  O  N N 297 
NDP O3X  O  N N 298 
NDP HOA2 H  N N 299 
NDP H51A H  N N 300 
NDP H52A H  N N 301 
NDP H4B  H  N N 302 
NDP H3B  H  N N 303 
NDP HO3A H  N N 304 
NDP H2B  H  N N 305 
NDP H1B  H  N N 306 
NDP H8A  H  N N 307 
NDP H61A H  N N 308 
NDP H62A H  N N 309 
NDP H2A  H  N N 310 
NDP H21N H  N N 311 
NDP H51N H  N N 312 
NDP H52N H  N N 313 
NDP H4D  H  N N 314 
NDP H3D  H  N N 315 
NDP HO3N H  N N 316 
NDP H2D  H  N N 317 
NDP HO2N H  N N 318 
NDP H1D  H  N N 319 
NDP H2N  H  N N 320 
NDP H71N H  N N 321 
NDP H72N H  N N 322 
NDP H41N H  N N 323 
NDP H42N H  N N 324 
NDP H5N  H  N N 325 
NDP H6N  H  N N 326 
NDP HOP2 H  N N 327 
NDP HOP3 H  N N 328 
PHE N    N  N N 329 
PHE CA   C  N S 330 
PHE C    C  N N 331 
PHE O    O  N N 332 
PHE CB   C  N N 333 
PHE CG   C  Y N 334 
PHE CD1  C  Y N 335 
PHE CD2  C  Y N 336 
PHE CE1  C  Y N 337 
PHE CE2  C  Y N 338 
PHE CZ   C  Y N 339 
PHE OXT  O  N N 340 
PHE H    H  N N 341 
PHE H2   H  N N 342 
PHE HA   H  N N 343 
PHE HB2  H  N N 344 
PHE HB3  H  N N 345 
PHE HD1  H  N N 346 
PHE HD2  H  N N 347 
PHE HE1  H  N N 348 
PHE HE2  H  N N 349 
PHE HZ   H  N N 350 
PHE HXT  H  N N 351 
PRO N    N  N N 352 
PRO CA   C  N S 353 
PRO C    C  N N 354 
PRO O    O  N N 355 
PRO CB   C  N N 356 
PRO CG   C  N N 357 
PRO CD   C  N N 358 
PRO OXT  O  N N 359 
PRO H    H  N N 360 
PRO HA   H  N N 361 
PRO HB2  H  N N 362 
PRO HB3  H  N N 363 
PRO HG2  H  N N 364 
PRO HG3  H  N N 365 
PRO HD2  H  N N 366 
PRO HD3  H  N N 367 
PRO HXT  H  N N 368 
SER N    N  N N 369 
SER CA   C  N S 370 
SER C    C  N N 371 
SER O    O  N N 372 
SER CB   C  N N 373 
SER OG   O  N N 374 
SER OXT  O  N N 375 
SER H    H  N N 376 
SER H2   H  N N 377 
SER HA   H  N N 378 
SER HB2  H  N N 379 
SER HB3  H  N N 380 
SER HG   H  N N 381 
SER HXT  H  N N 382 
THR N    N  N N 383 
THR CA   C  N S 384 
THR C    C  N N 385 
THR O    O  N N 386 
THR CB   C  N R 387 
THR OG1  O  N N 388 
THR CG2  C  N N 389 
THR OXT  O  N N 390 
THR H    H  N N 391 
THR H2   H  N N 392 
THR HA   H  N N 393 
THR HB   H  N N 394 
THR HG1  H  N N 395 
THR HG21 H  N N 396 
THR HG22 H  N N 397 
THR HG23 H  N N 398 
THR HXT  H  N N 399 
TOP C1   C  Y N 400 
TOP N2   N  Y N 401 
TOP C3   C  Y N 402 
TOP N4   N  N N 403 
TOP N5   N  Y N 404 
TOP C6   C  Y N 405 
TOP N7   N  N N 406 
TOP C8   C  Y N 407 
TOP C9   C  N N 408 
TOP C10  C  Y N 409 
TOP C11  C  Y N 410 
TOP C12  C  Y N 411 
TOP O13  O  N N 412 
TOP C14  C  N N 413 
TOP C15  C  Y N 414 
TOP O16  O  N N 415 
TOP C17  C  N N 416 
TOP C18  C  Y N 417 
TOP O19  O  N N 418 
TOP C20  C  N N 419 
TOP C21  C  Y N 420 
TOP H1   H  N N 421 
TOP HN41 H  N N 422 
TOP HN42 H  N N 423 
TOP HN71 H  N N 424 
TOP HN72 H  N N 425 
TOP H91  H  N N 426 
TOP H92  H  N N 427 
TOP H11  H  N N 428 
TOP H141 H  N N 429 
TOP H142 H  N N 430 
TOP H143 H  N N 431 
TOP H171 H  N N 432 
TOP H172 H  N N 433 
TOP H173 H  N N 434 
TOP H201 H  N N 435 
TOP H202 H  N N 436 
TOP H203 H  N N 437 
TOP H21  H  N N 438 
TRP N    N  N N 439 
TRP CA   C  N S 440 
TRP C    C  N N 441 
TRP O    O  N N 442 
TRP CB   C  N N 443 
TRP CG   C  Y N 444 
TRP CD1  C  Y N 445 
TRP CD2  C  Y N 446 
TRP NE1  N  Y N 447 
TRP CE2  C  Y N 448 
TRP CE3  C  Y N 449 
TRP CZ2  C  Y N 450 
TRP CZ3  C  Y N 451 
TRP CH2  C  Y N 452 
TRP OXT  O  N N 453 
TRP H    H  N N 454 
TRP H2   H  N N 455 
TRP HA   H  N N 456 
TRP HB2  H  N N 457 
TRP HB3  H  N N 458 
TRP HD1  H  N N 459 
TRP HE1  H  N N 460 
TRP HE3  H  N N 461 
TRP HZ2  H  N N 462 
TRP HZ3  H  N N 463 
TRP HH2  H  N N 464 
TRP HXT  H  N N 465 
TYR N    N  N N 466 
TYR CA   C  N S 467 
TYR C    C  N N 468 
TYR O    O  N N 469 
TYR CB   C  N N 470 
TYR CG   C  Y N 471 
TYR CD1  C  Y N 472 
TYR CD2  C  Y N 473 
TYR CE1  C  Y N 474 
TYR CE2  C  Y N 475 
TYR CZ   C  Y N 476 
TYR OH   O  N N 477 
TYR OXT  O  N N 478 
TYR H    H  N N 479 
TYR H2   H  N N 480 
TYR HA   H  N N 481 
TYR HB2  H  N N 482 
TYR HB3  H  N N 483 
TYR HD1  H  N N 484 
TYR HD2  H  N N 485 
TYR HE1  H  N N 486 
TYR HE2  H  N N 487 
TYR HH   H  N N 488 
TYR HXT  H  N N 489 
VAL N    N  N N 490 
VAL CA   C  N S 491 
VAL C    C  N N 492 
VAL O    O  N N 493 
VAL CB   C  N N 494 
VAL CG1  C  N N 495 
VAL CG2  C  N N 496 
VAL OXT  O  N N 497 
VAL H    H  N N 498 
VAL H2   H  N N 499 
VAL HA   H  N N 500 
VAL HB   H  N N 501 
VAL HG11 H  N N 502 
VAL HG12 H  N N 503 
VAL HG13 H  N N 504 
VAL HG21 H  N N 505 
VAL HG22 H  N N 506 
VAL HG23 H  N N 507 
VAL HXT  H  N N 508 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
NDP PA  O1A  doub N N 237 
NDP PA  O2A  sing N N 238 
NDP PA  O5B  sing N N 239 
NDP PA  O3   sing N N 240 
NDP O2A HOA2 sing N N 241 
NDP O5B C5B  sing N N 242 
NDP C5B C4B  sing N N 243 
NDP C5B H51A sing N N 244 
NDP C5B H52A sing N N 245 
NDP C4B O4B  sing N N 246 
NDP C4B C3B  sing N N 247 
NDP C4B H4B  sing N N 248 
NDP O4B C1B  sing N N 249 
NDP C3B O3B  sing N N 250 
NDP C3B C2B  sing N N 251 
NDP C3B H3B  sing N N 252 
NDP O3B HO3A sing N N 253 
NDP C2B O2B  sing N N 254 
NDP C2B C1B  sing N N 255 
NDP C2B H2B  sing N N 256 
NDP O2B P2B  sing N N 257 
NDP C1B N9A  sing N N 258 
NDP C1B H1B  sing N N 259 
NDP N9A C8A  sing Y N 260 
NDP N9A C4A  sing Y N 261 
NDP C8A N7A  doub Y N 262 
NDP C8A H8A  sing N N 263 
NDP N7A C5A  sing Y N 264 
NDP C5A C6A  sing Y N 265 
NDP C5A C4A  doub Y N 266 
NDP C6A N6A  sing N N 267 
NDP C6A N1A  doub Y N 268 
NDP N6A H61A sing N N 269 
NDP N6A H62A sing N N 270 
NDP N1A C2A  sing Y N 271 
NDP C2A N3A  doub Y N 272 
NDP C2A H2A  sing N N 273 
NDP N3A C4A  sing Y N 274 
NDP O3  PN   sing N N 275 
NDP PN  O1N  doub N N 276 
NDP PN  O2N  sing N N 277 
NDP PN  O5D  sing N N 278 
NDP O2N H21N sing N N 279 
NDP O5D C5D  sing N N 280 
NDP C5D C4D  sing N N 281 
NDP C5D H51N sing N N 282 
NDP C5D H52N sing N N 283 
NDP C4D O4D  sing N N 284 
NDP C4D C3D  sing N N 285 
NDP C4D H4D  sing N N 286 
NDP O4D C1D  sing N N 287 
NDP C3D O3D  sing N N 288 
NDP C3D C2D  sing N N 289 
NDP C3D H3D  sing N N 290 
NDP O3D HO3N sing N N 291 
NDP C2D O2D  sing N N 292 
NDP C2D C1D  sing N N 293 
NDP C2D H2D  sing N N 294 
NDP O2D HO2N sing N N 295 
NDP C1D N1N  sing N N 296 
NDP C1D H1D  sing N N 297 
NDP N1N C2N  sing N N 298 
NDP N1N C6N  sing N N 299 
NDP C2N C3N  doub N N 300 
NDP C2N H2N  sing N N 301 
NDP C3N C7N  sing N N 302 
NDP C3N C4N  sing N N 303 
NDP C7N O7N  doub N N 304 
NDP C7N N7N  sing N N 305 
NDP N7N H71N sing N N 306 
NDP N7N H72N sing N N 307 
NDP C4N C5N  sing N N 308 
NDP C4N H41N sing N N 309 
NDP C4N H42N sing N N 310 
NDP C5N C6N  doub N N 311 
NDP C5N H5N  sing N N 312 
NDP C6N H6N  sing N N 313 
NDP P2B O1X  doub N N 314 
NDP P2B O2X  sing N N 315 
NDP P2B O3X  sing N N 316 
NDP O2X HOP2 sing N N 317 
NDP O3X HOP3 sing N N 318 
PHE N   CA   sing N N 319 
PHE N   H    sing N N 320 
PHE N   H2   sing N N 321 
PHE CA  C    sing N N 322 
PHE CA  CB   sing N N 323 
PHE CA  HA   sing N N 324 
PHE C   O    doub N N 325 
PHE C   OXT  sing N N 326 
PHE CB  CG   sing N N 327 
PHE CB  HB2  sing N N 328 
PHE CB  HB3  sing N N 329 
PHE CG  CD1  doub Y N 330 
PHE CG  CD2  sing Y N 331 
PHE CD1 CE1  sing Y N 332 
PHE CD1 HD1  sing N N 333 
PHE CD2 CE2  doub Y N 334 
PHE CD2 HD2  sing N N 335 
PHE CE1 CZ   doub Y N 336 
PHE CE1 HE1  sing N N 337 
PHE CE2 CZ   sing Y N 338 
PHE CE2 HE2  sing N N 339 
PHE CZ  HZ   sing N N 340 
PHE OXT HXT  sing N N 341 
PRO N   CA   sing N N 342 
PRO N   CD   sing N N 343 
PRO N   H    sing N N 344 
PRO CA  C    sing N N 345 
PRO CA  CB   sing N N 346 
PRO CA  HA   sing N N 347 
PRO C   O    doub N N 348 
PRO C   OXT  sing N N 349 
PRO CB  CG   sing N N 350 
PRO CB  HB2  sing N N 351 
PRO CB  HB3  sing N N 352 
PRO CG  CD   sing N N 353 
PRO CG  HG2  sing N N 354 
PRO CG  HG3  sing N N 355 
PRO CD  HD2  sing N N 356 
PRO CD  HD3  sing N N 357 
PRO OXT HXT  sing N N 358 
SER N   CA   sing N N 359 
SER N   H    sing N N 360 
SER N   H2   sing N N 361 
SER CA  C    sing N N 362 
SER CA  CB   sing N N 363 
SER CA  HA   sing N N 364 
SER C   O    doub N N 365 
SER C   OXT  sing N N 366 
SER CB  OG   sing N N 367 
SER CB  HB2  sing N N 368 
SER CB  HB3  sing N N 369 
SER OG  HG   sing N N 370 
SER OXT HXT  sing N N 371 
THR N   CA   sing N N 372 
THR N   H    sing N N 373 
THR N   H2   sing N N 374 
THR CA  C    sing N N 375 
THR CA  CB   sing N N 376 
THR CA  HA   sing N N 377 
THR C   O    doub N N 378 
THR C   OXT  sing N N 379 
THR CB  OG1  sing N N 380 
THR CB  CG2  sing N N 381 
THR CB  HB   sing N N 382 
THR OG1 HG1  sing N N 383 
THR CG2 HG21 sing N N 384 
THR CG2 HG22 sing N N 385 
THR CG2 HG23 sing N N 386 
THR OXT HXT  sing N N 387 
TOP C1  N2   doub Y N 388 
TOP C1  C8   sing Y N 389 
TOP C1  H1   sing N N 390 
TOP N2  C3   sing Y N 391 
TOP C3  N4   sing N N 392 
TOP C3  N5   doub Y N 393 
TOP N4  HN41 sing N N 394 
TOP N4  HN42 sing N N 395 
TOP N5  C6   sing Y N 396 
TOP C6  N7   sing N N 397 
TOP C6  C8   doub Y N 398 
TOP N7  HN71 sing N N 399 
TOP N7  HN72 sing N N 400 
TOP C8  C9   sing N N 401 
TOP C9  C10  sing N N 402 
TOP C9  H91  sing N N 403 
TOP C9  H92  sing N N 404 
TOP C10 C11  doub Y N 405 
TOP C10 C21  sing Y N 406 
TOP C11 C12  sing Y N 407 
TOP C11 H11  sing N N 408 
TOP C12 O13  sing N N 409 
TOP C12 C15  doub Y N 410 
TOP O13 C14  sing N N 411 
TOP C14 H141 sing N N 412 
TOP C14 H142 sing N N 413 
TOP C14 H143 sing N N 414 
TOP C15 O16  sing N N 415 
TOP C15 C18  sing Y N 416 
TOP O16 C17  sing N N 417 
TOP C17 H171 sing N N 418 
TOP C17 H172 sing N N 419 
TOP C17 H173 sing N N 420 
TOP C18 O19  sing N N 421 
TOP C18 C21  doub Y N 422 
TOP O19 C20  sing N N 423 
TOP C20 H201 sing N N 424 
TOP C20 H202 sing N N 425 
TOP C20 H203 sing N N 426 
TOP C21 H21  sing N N 427 
TRP N   CA   sing N N 428 
TRP N   H    sing N N 429 
TRP N   H2   sing N N 430 
TRP CA  C    sing N N 431 
TRP CA  CB   sing N N 432 
TRP CA  HA   sing N N 433 
TRP C   O    doub N N 434 
TRP C   OXT  sing N N 435 
TRP CB  CG   sing N N 436 
TRP CB  HB2  sing N N 437 
TRP CB  HB3  sing N N 438 
TRP CG  CD1  doub Y N 439 
TRP CG  CD2  sing Y N 440 
TRP CD1 NE1  sing Y N 441 
TRP CD1 HD1  sing N N 442 
TRP CD2 CE2  doub Y N 443 
TRP CD2 CE3  sing Y N 444 
TRP NE1 CE2  sing Y N 445 
TRP NE1 HE1  sing N N 446 
TRP CE2 CZ2  sing Y N 447 
TRP CE3 CZ3  doub Y N 448 
TRP CE3 HE3  sing N N 449 
TRP CZ2 CH2  doub Y N 450 
TRP CZ2 HZ2  sing N N 451 
TRP CZ3 CH2  sing Y N 452 
TRP CZ3 HZ3  sing N N 453 
TRP CH2 HH2  sing N N 454 
TRP OXT HXT  sing N N 455 
TYR N   CA   sing N N 456 
TYR N   H    sing N N 457 
TYR N   H2   sing N N 458 
TYR CA  C    sing N N 459 
TYR CA  CB   sing N N 460 
TYR CA  HA   sing N N 461 
TYR C   O    doub N N 462 
TYR C   OXT  sing N N 463 
TYR CB  CG   sing N N 464 
TYR CB  HB2  sing N N 465 
TYR CB  HB3  sing N N 466 
TYR CG  CD1  doub Y N 467 
TYR CG  CD2  sing Y N 468 
TYR CD1 CE1  sing Y N 469 
TYR CD1 HD1  sing N N 470 
TYR CD2 CE2  doub Y N 471 
TYR CD2 HD2  sing N N 472 
TYR CE1 CZ   doub Y N 473 
TYR CE1 HE1  sing N N 474 
TYR CE2 CZ   sing Y N 475 
TYR CE2 HE2  sing N N 476 
TYR CZ  OH   sing N N 477 
TYR OH  HH   sing N N 478 
TYR OXT HXT  sing N N 479 
VAL N   CA   sing N N 480 
VAL N   H    sing N N 481 
VAL N   H2   sing N N 482 
VAL CA  C    sing N N 483 
VAL CA  CB   sing N N 484 
VAL CA  HA   sing N N 485 
VAL C   O    doub N N 486 
VAL C   OXT  sing N N 487 
VAL CB  CG1  sing N N 488 
VAL CB  CG2  sing N N 489 
VAL CB  HB   sing N N 490 
VAL CG1 HG11 sing N N 491 
VAL CG1 HG12 sing N N 492 
VAL CG1 HG13 sing N N 493 
VAL CG2 HG21 sing N N 494 
VAL CG2 HG22 sing N N 495 
VAL CG2 HG23 sing N N 496 
VAL OXT HXT  sing N N 497 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           5R41AI165272-02 
_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      PDB 
_pdbx_initial_refinement_model.accession_code   2W3V 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8VTC 
_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]   0.014235 
_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]   0.014235 
_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]   0.013603 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
CL ?  ?  ?       ?       ?      ?       ?      ?       ?      ?       ?        
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   
P  15 15 6.4348  1.9067  4.1793 27.1570 1.7801 0.5260  1.4909 68.1645 1.2678   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0494   
# 
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_site.pdbx_tls_group_id 
ATOM   1    N  N    . ALA A 1 4   ? -12.072 -0.016 -4.572  1   58.318 ? 4   ALA A N    1 ? 1 
ATOM   2    C  CA   . ALA A 1 4   ? -12.82  1.268  -4.6    1   56.562 ? 4   ALA A CA   1 ? 1 
ATOM   3    C  C    . ALA A 1 4   ? -11.9   2.459  -4.886  1   51.203 ? 4   ALA A C    1 ? 1 
ATOM   4    O  O    . ALA A 1 4   ? -10.861 2.668  -4.258  1   46.885 ? 4   ALA A O    1 ? 1 
ATOM   5    C  CB   . ALA A 1 4   ? -13.593 1.478  -3.313  1   58.83  ? 4   ALA A CB   1 ? 1 
ATOM   6    H  H    . ALA A 1 4   ? -12.639 -0.695 -4.395  1   51.507 ? 4   ALA A H    1 c 1 
ATOM   7    H  HA   . ALA A 1 4   ? -13.477 1.209  -5.348  1   47.649 ? 4   ALA A HA   1 c 1 
ATOM   8    H  HB1  . ALA A 1 4   ? -14.23  0.753  -3.193  1   48.087 ? 4   ALA A HB1  1 c 1 
ATOM   9    H  HB2  . ALA A 1 4   ? -12.978 1.493  -2.561  1   47.026 ? 4   ALA A HB2  1 c 1 
ATOM   10   H  HB3  . ALA A 1 4   ? -14.072 2.323  -3.353  1   45.276 ? 4   ALA A HB3  1 c 1 
ATOM   11   N  N    . GLU A 1 5   ? -12.356 3.27   -5.841  1   49.15  ? 5   GLU A N    1 ? 1 
ATOM   12   C  CA   . GLU A 1 5   ? -11.626 4.422  -6.299  1   45.556 ? 5   GLU A CA   1 ? 1 
ATOM   13   C  C    . GLU A 1 5   ? -12.125 5.636  -5.525  1   42.905 ? 5   GLU A C    1 ? 1 
ATOM   14   O  O    . GLU A 1 5   ? -13.193 6.182  -5.805  1   43.069 ? 5   GLU A O    1 ? 1 
ATOM   15   C  CB   . GLU A 1 5   ? -11.832 4.437  -7.807  1   48.7   ? 5   GLU A CB   1 ? 1 
ATOM   16   C  CG   . GLU A 1 5   ? -11.493 5.789  -8.424  1   51.454 ? 5   GLU A CG   1 ? 1 
ATOM   17   C  CD   . GLU A 1 5   ? -11.012 5.719  -9.854  1   55.131 ? 5   GLU A CD   1 ? 1 
ATOM   18   O  OE1  . GLU A 1 5   ? -11.703 6.203  -10.792 1   58.64  ? 5   GLU A OE1  1 ? 1 
ATOM   19   O  OE2  . GLU A 1 5   ? -9.881  5.207  -9.99   1   59.729 ? 5   GLU A OE2  1 ? 1 
ATOM   20   H  H    . GLU A 1 5   ? -13.173 3.097  -6.212  1   44.513 ? 5   GLU A H    1 c 1 
ATOM   21   H  HA   . GLU A 1 5   ? -10.663 4.288  -6.107  1   43.465 ? 5   GLU A HA   1 c 1 
ATOM   22   H  HB2  . GLU A 1 5   ? -11.273 3.741  -8.211  1   44.736 ? 5   GLU A HB2  1 c 1 
ATOM   23   H  HB3  . GLU A 1 5   ? -12.767 4.224  -8.007  1   43.285 ? 5   GLU A HB3  1 c 1 
ATOM   24   H  HG2  . GLU A 1 5   ? -12.287 6.362  -8.39   1   58.142 ? 5   GLU A HG2  1 c 1 
ATOM   25   H  HG3  . GLU A 1 5   ? -10.795 6.219  -7.886  1   58.726 ? 5   GLU A HG3  1 c 1 
ATOM   26   N  N    . VAL A 1 6   ? -11.366 6.045  -4.516  1   38.717 ? 6   VAL A N    1 ? 1 
ATOM   27   C  CA   . VAL A 1 6   ? -11.784 7.197  -3.744  1   36.481 ? 6   VAL A CA   1 ? 1 
ATOM   28   C  C    . VAL A 1 6   ? -11.391 8.464  -4.497  1   33.522 ? 6   VAL A C    1 ? 1 
ATOM   29   O  O    . VAL A 1 6   ? -10.208 8.673  -4.773  1   33.363 ? 6   VAL A O    1 ? 1 
ATOM   30   C  CB   . VAL A 1 6   ? -11.206 7.19   -2.325  1   37.083 ? 6   VAL A CB   1 ? 1 
ATOM   31   C  CG1  . VAL A 1 6   ? -11.648 8.435  -1.559  1   38.046 ? 6   VAL A CG1  1 ? 1 
ATOM   32   C  CG2  . VAL A 1 6   ? -11.587 5.907  -1.603  1   40.693 ? 6   VAL A CG2  1 ? 1 
ATOM   33   H  H    . VAL A 1 6   ? -10.589 5.612  -4.304  1   41.212 ? 6   VAL A H    1 c 1 
ATOM   34   H  HA   . VAL A 1 6   ? -12.757 7.174  -3.669  1   38.231 ? 6   VAL A HA   1 c 1 
ATOM   35   H  HB   . VAL A 1 6   ? -10.224 7.214  -2.408  1   39.284 ? 6   VAL A HB   1 c 1 
ATOM   36   H  HG11 . VAL A 1 6   ? -12.617 8.509  -1.592  1   36.95  ? 6   VAL A HG11 1 c 1 
ATOM   37   H  HG12 . VAL A 1 6   ? -11.249 9.226  -1.961  1   36.52  ? 6   VAL A HG12 1 c 1 
ATOM   38   H  HG13 . VAL A 1 6   ? -11.361 8.364  -0.633  1   37.782 ? 6   VAL A HG13 1 c 1 
ATOM   39   H  HG21 . VAL A 1 6   ? -11.259 5.94   -0.688  1   40.846 ? 6   VAL A HG21 1 c 1 
ATOM   40   H  HG22 . VAL A 1 6   ? -11.193 5.146  -2.06   1   41.725 ? 6   VAL A HG22 1 c 1 
ATOM   41   H  HG23 . VAL A 1 6   ? -12.555 5.814  -1.595  1   40.339 ? 6   VAL A HG23 1 c 1 
ATOM   42   N  N    . GLY A 1 7   ? -12.396 9.302  -4.807  1   30.278 ? 7   GLY A N    1 ? 1 
ATOM   43   C  CA   . GLY A 1 7   ? -12.161 10.543 -5.535  1   28.552 ? 7   GLY A CA   1 ? 1 
ATOM   44   C  C    . GLY A 1 7   ? -12.314 11.786 -4.652  1   28.634 ? 7   GLY A C    1 ? 1 
ATOM   45   O  O    . GLY A 1 7   ? -13.114 11.805 -3.719  1   30.239 ? 7   GLY A O    1 ? 1 
ATOM   46   H  H    . GLY A 1 7   ? -13.25  9.094  -4.557  1   35.814 ? 7   GLY A H    1 c 1 
ATOM   47   H  HA2  . GLY A 1 7   ? -11.256 10.523 -5.918  1   34.912 ? 7   GLY A HA2  1 c 1 
ATOM   48   H  HA3  . GLY A 1 7   ? -12.801 10.597 -6.283  1   34.432 ? 7   GLY A HA3  1 c 1 
ATOM   49   N  N    . LEU A 1 8   ? -11.565 12.845 -4.981  1   27.667 ? 8   LEU A N    1 ? 1 
ATOM   50   C  CA   . LEU A 1 8   ? -11.734 14.158 -4.379  1   28.297 ? 8   LEU A CA   1 ? 1 
ATOM   51   C  C    . LEU A 1 8   ? -12.189 15.11  -5.486  1   28.01  ? 8   LEU A C    1 ? 1 
ATOM   52   O  O    . LEU A 1 8   ? -11.629 15.086 -6.587  1   26.405 ? 8   LEU A O    1 ? 1 
ATOM   53   C  CB   . LEU A 1 8   ? -10.466 14.748 -3.755  1   29.86  ? 8   LEU A CB   1 ? 1 
ATOM   54   C  CG   . LEU A 1 8   ? -9.583  13.873 -2.857  1   34.819 ? 8   LEU A CG   1 ? 1 
ATOM   55   C  CD1  . LEU A 1 8   ? -8.555  14.751 -2.181  1   35.518 ? 8   LEU A CD1  1 ? 1 
ATOM   56   C  CD2  . LEU A 1 8   ? -10.291 13.053 -1.801  1   37.368 ? 8   LEU A CD2  1 ? 1 
ATOM   57   H  H    . LEU A 1 8   ? -10.915 12.742 -5.615  1   33.014 ? 8   LEU A H    1 c 1 
ATOM   58   H  HA   . LEU A 1 8   ? -12.442 14.104 -3.69   1   31.742 ? 8   LEU A HA   1 c 1 
ATOM   59   H  HB2  . LEU A 1 8   ? -9.903  15.088 -4.488  1   31.891 ? 8   LEU A HB2  1 c 1 
ATOM   60   H  HB3  . LEU A 1 8   ? -10.733 15.541 -3.235  1   31.523 ? 8   LEU A HB3  1 c 1 
ATOM   61   H  HG   . LEU A 1 8   ? -9.093  13.24  -3.443  1   33.638 ? 8   LEU A HG   1 c 1 
ATOM   62   H  HD11 . LEU A 1 8   ? -8.021  15.206 -2.854  1   33.156 ? 8   LEU A HD11 1 c 1 
ATOM   63   H  HD12 . LEU A 1 8   ? -7.974  14.204 -1.625  1   34.129 ? 8   LEU A HD12 1 c 1 
ATOM   64   H  HD13 . LEU A 1 8   ? -9.004  15.411 -1.626  1   32.833 ? 8   LEU A HD13 1 c 1 
ATOM   65   H  HD21 . LEU A 1 8   ? -10.913 12.44  -2.227  1   33.631 ? 8   LEU A HD21 1 c 1 
ATOM   66   H  HD22 . LEU A 1 8   ? -10.778 13.644 -1.203  1   33.153 ? 8   LEU A HD22 1 c 1 
ATOM   67   H  HD23 . LEU A 1 8   ? -9.636  12.546 -1.291  1   34.398 ? 8   LEU A HD23 1 c 1 
ATOM   68   N  N    . VAL A 1 9   ? -13.197 15.945 -5.197  1   27.247 ? 9   VAL A N    1 ? 1 
ATOM   69   C  CA   . VAL A 1 9   ? -13.618 16.951 -6.158  1   26.116 ? 9   VAL A CA   1 ? 1 
ATOM   70   C  C    . VAL A 1 9   ? -13.722 18.314 -5.464  1   26.617 ? 9   VAL A C    1 ? 1 
ATOM   71   O  O    . VAL A 1 9   ? -14.324 18.427 -4.386  1   25.471 ? 9   VAL A O    1 ? 1 
ATOM   72   C  CB   . VAL A 1 9   ? -14.925 16.529 -6.849  1   25.744 ? 9   VAL A CB   1 ? 1 
ATOM   73   C  CG1  . VAL A 1 9   ? -16.043 16.316 -5.845  1   24.679 ? 9   VAL A CG1  1 ? 1 
ATOM   74   C  CG2  . VAL A 1 9   ? -15.345 17.517 -7.931  1   25.798 ? 9   VAL A CG2  1 ? 1 
ATOM   75   H  H    . VAL A 1 9   ? -13.621 15.893 -4.389  1   30.563 ? 9   VAL A H    1 c 1 
ATOM   76   H  HA   . VAL A 1 9   ? -12.929 17.016 -6.843  1   30.082 ? 9   VAL A HA   1 c 1 
ATOM   77   H  HB   . VAL A 1 9   ? -14.752 15.664 -7.289  1   30.662 ? 9   VAL A HB   1 c 1 
ATOM   78   H  HG11 . VAL A 1 9   ? -16.254 17.155 -5.406  1   30.258 ? 9   VAL A HG11 1 c 1 
ATOM   79   H  HG12 . VAL A 1 9   ? -15.766 15.663 -5.18   1   30.715 ? 9   VAL A HG12 1 c 1 
ATOM   80   H  HG13 . VAL A 1 9   ? -16.833 15.988 -6.307  1   30.807 ? 9   VAL A HG13 1 c 1 
ATOM   81   H  HG21 . VAL A 1 9   ? -16.152 17.196 -8.367  1   30.4   ? 9   VAL A HG21 1 c 1 
ATOM   82   H  HG22 . VAL A 1 9   ? -14.634 17.601 -8.588  1   30.073 ? 9   VAL A HG22 1 c 1 
ATOM   83   H  HG23 . VAL A 1 9   ? -15.519 18.386 -7.531  1   29.824 ? 9   VAL A HG23 1 c 1 
ATOM   84   N  N    . TRP A 1 10  ? -13.134 19.348 -6.099  1   26.367 ? 10  TRP A N    1 ? 1 
ATOM   85   C  CA   . TRP A 1 10  ? -13.206 20.714 -5.585  1   26.474 ? 10  TRP A CA   1 ? 1 
ATOM   86   C  C    . TRP A 1 10  ? -12.99  21.748 -6.682  1   27.017 ? 10  TRP A C    1 ? 1 
ATOM   87   O  O    . TRP A 1 10  ? -12.544 21.424 -7.783  1   25.72  ? 10  TRP A O    1 ? 1 
ATOM   88   C  CB   . TRP A 1 10  ? -12.194 20.961 -4.455  1   27.421 ? 10  TRP A CB   1 ? 1 
ATOM   89   C  CG   . TRP A 1 10  ? -10.743 21.115 -4.852  1   27.206 ? 10  TRP A CG   1 ? 1 
ATOM   90   C  CD1  . TRP A 1 10  ? -10.081 22.265 -5.189  1   26.701 ? 10  TRP A CD1  1 ? 1 
ATOM   91   C  CD2  . TRP A 1 10  ? -9.748  20.065 -4.869  1   27.859 ? 10  TRP A CD2  1 ? 1 
ATOM   92   N  NE1  . TRP A 1 10  ? -8.752  21.997 -5.411  1   27.932 ? 10  TRP A NE1  1 ? 1 
ATOM   93   C  CE2  . TRP A 1 10  ? -8.516  20.662 -5.212  1   26.407 ? 10  TRP A CE2  1 ? 1 
ATOM   94   C  CE3  . TRP A 1 10  ? -9.777  18.689 -4.618  1   29.744 ? 10  TRP A CE3  1 ? 1 
ATOM   95   C  CZ2  . TRP A 1 10  ? -7.346  19.926 -5.334  1   27.944 ? 10  TRP A CZ2  1 ? 1 
ATOM   96   C  CZ3  . TRP A 1 10  ? -8.614  17.956 -4.747  1   28.309 ? 10  TRP A CZ3  1 ? 1 
ATOM   97   C  CH2  . TRP A 1 10  ? -7.412  18.574 -5.069  1   30.389 ? 10  TRP A CH2  1 ? 1 
ATOM   98   H  H    . TRP A 1 10  ? -12.676 19.195 -6.875  1   29.53  ? 10  TRP A H    1 c 1 
ATOM   99   H  HA   . TRP A 1 10  ? -14.115 20.851 -5.21   1   29.506 ? 10  TRP A HA   1 c 1 
ATOM   100  H  HB2  . TRP A 1 10  ? -12.47  21.767 -3.967  1   29.875 ? 10  TRP A HB2  1 c 1 
ATOM   101  H  HB3  . TRP A 1 10  ? -12.259 20.215 -3.822  1   29.842 ? 10  TRP A HB3  1 c 1 
ATOM   102  H  HD1  . TRP A 1 10  ? -10.468 23.123 -5.242  1   30.222 ? 10  TRP A HD1  1 c 1 
ATOM   103  H  HE1  . TRP A 1 10  ? -8.153  22.586 -5.646  1   31.022 ? 10  TRP A HE1  1 c 1 
ATOM   104  H  HE3  . TRP A 1 10  ? -10.586 18.265 -4.388  1   30.369 ? 10  TRP A HE3  1 c 1 
ATOM   105  H  HZ2  . TRP A 1 10  ? -6.532  20.341 -5.564  1   32.038 ? 10  TRP A HZ2  1 c 1 
ATOM   106  H  HZ3  . TRP A 1 10  ? -8.625  17.031 -4.568  1   31.612 ? 10  TRP A HZ3  1 c 1 
ATOM   107  H  HH2  . TRP A 1 10  ? -6.633  18.053 -5.147  1   32.497 ? 10  TRP A HH2  1 c 1 
ATOM   108  N  N    . ALA A 1 11  ? -13.303 22.995 -6.301  1   28.152 ? 11  ALA A N    1 ? 1 
ATOM   109  C  CA   . ALA A 1 11  ? -13.049 24.187 -7.084  1   28.368 ? 11  ALA A CA   1 ? 1 
ATOM   110  C  C    . ALA A 1 11  ? -12.194 25.123 -6.24   1   29.209 ? 11  ALA A C    1 ? 1 
ATOM   111  O  O    . ALA A 1 11  ? -12.493 25.356 -5.062  1   29.928 ? 11  ALA A O    1 ? 1 
ATOM   112  C  CB   . ALA A 1 11  ? -14.35  24.88  -7.492  1   29.459 ? 11  ALA A CB   1 ? 1 
ATOM   113  H  H    . ALA A 1 11  ? -13.709 23.102 -5.489  1   29.786 ? 11  ALA A H    1 c 1 
ATOM   114  H  HA   . ALA A 1 11  ? -12.539 23.931 -7.897  1   29.856 ? 11  ALA A HA   1 c 1 
ATOM   115  H  HB1  . ALA A 1 11  ? -14.886 24.277 -8.035  1   30.121 ? 11  ALA A HB1  1 c 1 
ATOM   116  H  HB2  . ALA A 1 11  ? -14.853 25.128 -6.698  1   30.493 ? 11  ALA A HB2  1 c 1 
ATOM   117  H  HB3  . ALA A 1 11  ? -14.148 25.68  -8.006  1   30.576 ? 11  ALA A HB3  1 c 1 
ATOM   118  N  N    . GLN A 1 12  ? -11.152 25.651 -6.884  1   26.956 ? 12  GLN A N    1 ? 1 
ATOM   119  C  CA   . GLN A 1 12  ? -10.242 26.59  -6.26   1   27.585 ? 12  GLN A CA   1 ? 1 
ATOM   120  C  C    . GLN A 1 12  ? -9.937  27.76  -7.195  1   28.41  ? 12  GLN A C    1 ? 1 
ATOM   121  O  O    . GLN A 1 12  ? -9.906  27.617 -8.416  1   28.594 ? 12  GLN A O    1 ? 1 
ATOM   122  C  CB   . GLN A 1 12  ? -8.942  25.904 -5.85   1   27.88  ? 12  GLN A CB   1 ? 1 
ATOM   123  C  CG   . GLN A 1 12  ? -8.136  25.331 -7.009  1   27.251 ? 12  GLN A CG   1 ? 1 
ATOM   124  C  CD   . GLN A 1 12  ? -6.759  24.873 -6.584  1   29.335 ? 12  GLN A CD   1 ? 1 
ATOM   125  O  OE1  . GLN A 1 12  ? -6.544  23.702 -6.244  1   27.73  ? 12  GLN A OE1  1 ? 1 
ATOM   126  N  NE2  . GLN A 1 12  ? -5.822  25.813 -6.575  1   28.945 ? 12  GLN A NE2  1 ? 1 
ATOM   127  H  H    . GLN A 1 12  ? -11.001 25.414 -7.754  1   30.573 ? 12  GLN A H    1 c 1 
ATOM   128  H  HA   . GLN A 1 12  ? -10.675 26.946 -5.446  1   31.696 ? 12  GLN A HA   1 c 1 
ATOM   129  H  HB2  . GLN A 1 12  ? -8.386  26.552 -5.37   1   32.274 ? 12  GLN A HB2  1 c 1 
ATOM   130  H  HB3  . GLN A 1 12  ? -9.157  25.179 -5.227  1   31.328 ? 12  GLN A HB3  1 c 1 
ATOM   131  H  HG2  . GLN A 1 12  ? -8.619  24.569 -7.394  1   31.074 ? 12  GLN A HG2  1 c 1 
ATOM   132  H  HG3  . GLN A 1 12  ? -8.039  26.009 -7.709  1   31.877 ? 12  GLN A HG3  1 c 1 
ATOM   133  H  HE21 . GLN A 1 12  ? -4.972  25.586 -6.452  1   33.861 ? 12  GLN A HE21 1 c 1 
ATOM   134  H  HE22 . GLN A 1 12  ? -6.043  26.665 -6.691  1   33.469 ? 12  GLN A HE22 1 c 1 
ATOM   135  N  N    . SER A 1 13  ? -9.677  28.921 -6.597  1   29.542 ? 13  SER A N    1 ? 1 
ATOM   136  C  CA   . SER A 1 13  ? -8.973  29.973 -7.297  1   30.217 ? 13  SER A CA   1 ? 1 
ATOM   137  C  C    . SER A 1 13  ? -7.57   29.461 -7.608  1   31.25  ? 13  SER A C    1 ? 1 
ATOM   138  O  O    . SER A 1 13  ? -7.113  28.482 -7.001  1   29.198 ? 13  SER A O    1 ? 1 
ATOM   139  C  CB   . SER A 1 13  ? -8.92   31.273 -6.49   1   30.873 ? 13  SER A CB   1 ? 1 
ATOM   140  O  OG   . SER A 1 13  ? -8.131  31.13  -5.317  1   29.88  ? 13  SER A OG   1 ? 1 
ATOM   141  H  H    . SER A 1 13  ? -9.946  29.062 -5.734  1   33.273 ? 13  SER A H    1 c 1 
ATOM   142  H  HA   . SER A 1 13  ? -9.442  30.148 -8.15   1   33.94  ? 13  SER A HA   1 c 1 
ATOM   143  H  HB2  . SER A 1 13  ? -8.548  31.981 -7.047  1   47.313 ? 13  SER A HB2  1 c 1 
ATOM   144  H  HB3  . SER A 1 13  ? -9.827  31.532 -6.24   1   46.606 ? 13  SER A HB3  1 c 1 
ATOM   145  H  HG   . SER A 1 13  ? -8.131  31.868 -4.9    0   30     ? 13  SER A HG   1 c 1 
ATOM   146  N  N    . THR A 1 14  ? -6.913  30.144 -8.556  1   31.381 ? 14  THR A N    1 ? 1 
ATOM   147  C  CA   . THR A 1 14  ? -5.528  29.871 -8.902  1   32.594 ? 14  THR A CA   1 ? 1 
ATOM   148  C  C    . THR A 1 14  ? -4.667  29.925 -7.634  1   35.201 ? 14  THR A C    1 ? 1 
ATOM   149  O  O    . THR A 1 14  ? -3.735  29.136 -7.508  1   37.417 ? 14  THR A O    1 ? 1 
ATOM   150  C  CB   . THR A 1 14  ? -5.033  30.857 -9.965  1   34.971 ? 14  THR A CB   1 ? 1 
ATOM   151  O  OG1  . THR A 1 14  ? -5.755  30.607 -11.177 1   34.602 ? 14  THR A OG1  1 ? 1 
ATOM   152  C  CG2  . THR A 1 14  ? -3.538  30.711 -10.226 1   35.652 ? 14  THR A CG2  1 ? 1 
ATOM   153  H  H    . THR A 1 14  ? -7.352  30.809 -9.004  1   35.341 ? 14  THR A H    1 c 1 
ATOM   154  H  HA   . THR A 1 14  ? -5.479  28.964 -9.274  1   35.106 ? 14  THR A HA   1 c 1 
ATOM   155  H  HB   . THR A 1 14  ? -5.214  31.779 -9.664  1   37.556 ? 14  THR A HB   1 c 1 
ATOM   156  H  HG1  . THR A 1 14  ? -5.611  29.794 -11.434 0   30     ? 14  THR A HG1  1 c 1 
ATOM   157  H  HG21 . THR A 1 14  ? -3.284  31.275 -10.977 1   38.845 ? 14  THR A HG21 1 c 1 
ATOM   158  H  HG22 . THR A 1 14  ? -3.333  29.783 -10.435 1   37.582 ? 14  THR A HG22 1 c 1 
ATOM   159  H  HG23 . THR A 1 14  ? -3.039  30.983 -9.437  1   38.694 ? 14  THR A HG23 1 c 1 
ATOM   160  N  N    . SER A 1 15  ? -4.99   30.819 -6.681  1   36.267 ? 15  SER A N    1 ? 1 
ATOM   161  C  CA   . SER A 1 15  ? -4.231  30.959 -5.436  1   35.893 ? 15  SER A CA   1 ? 1 
ATOM   162  C  C    . SER A 1 15  ? -4.512  29.845 -4.418  1   35.205 ? 15  SER A C    1 ? 1 
ATOM   163  O  O    . SER A 1 15  ? -3.832  29.777 -3.404  1   36.133 ? 15  SER A O    1 ? 1 
ATOM   164  C  CB   . SER A 1 15  ? -4.495  32.301 -4.806  1   38.47  ? 15  SER A CB   1 ? 1 
ATOM   165  O  OG   . SER A 1 15  ? -5.833  32.343 -4.324  1   38.638 ? 15  SER A OG   1 ? 1 
ATOM   166  H  H    . SER A 1 15  ? -5.703  31.373 -6.817  1   37.057 ? 15  SER A H    1 c 1 
ATOM   167  H  HA   . SER A 1 15  ? -3.268  30.918 -5.667  1   38.9   ? 15  SER A HA   1 c 1 
ATOM   168  H  HB2  . SER A 1 15  ? -3.874  32.443 -4.066  1   40.432 ? 15  SER A HB2  1 c 1 
ATOM   169  H  HB3  . SER A 1 15  ? -4.36   33.006 -5.467  1   40.091 ? 15  SER A HB3  1 c 1 
ATOM   170  H  HG   . SER A 1 15  ? -5.97   33.102 -3.971  0   30     ? 15  SER A HG   1 c 1 
ATOM   171  N  N    . GLY A 1 16  ? -5.552  29.026 -4.615  1   34.355 ? 16  GLY A N    1 ? 1 
ATOM   172  C  CA   . GLY A 1 16  ? -5.787  27.868 -3.762  1   34.43  ? 16  GLY A CA   1 ? 1 
ATOM   173  C  C    . GLY A 1 16  ? -6.934  28.048 -2.76   1   34.922 ? 16  GLY A C    1 ? 1 
ATOM   174  O  O    . GLY A 1 16  ? -7.136  27.189 -1.903  1   38.752 ? 16  GLY A O    1 ? 1 
ATOM   175  H  H    . GLY A 1 16  ? -6.137  29.195 -5.295  1   35.273 ? 16  GLY A H    1 c 1 
ATOM   176  H  HA2  . GLY A 1 16  ? -5.987  27.093 -4.336  1   34.271 ? 16  GLY A HA2  1 c 1 
ATOM   177  H  HA3  . GLY A 1 16  ? -4.96   27.661 -3.268  1   35.799 ? 16  GLY A HA3  1 c 1 
ATOM   178  N  N    . VAL A 1 17  ? -7.696  29.138 -2.869  1   33.024 ? 17  VAL A N    1 ? 1 
ATOM   179  C  CA   . VAL A 1 17  ? -8.804  29.399 -1.966  1   31.595 ? 17  VAL A CA   1 ? 1 
ATOM   180  C  C    . VAL A 1 17  ? -9.986  28.575 -2.453  1   30.667 ? 17  VAL A C    1 ? 1 
ATOM   181  O  O    . VAL A 1 17  ? -10.287 28.599 -3.643  1   28.149 ? 17  VAL A O    1 ? 1 
ATOM   182  C  CB   . VAL A 1 17  ? -9.164  30.899 -1.912  1   33.181 ? 17  VAL A CB   1 ? 1 
ATOM   183  C  CG1  . VAL A 1 17  ? -10.391 31.143 -1.035  1   34.031 ? 17  VAL A CG1  1 ? 1 
ATOM   184  C  CG2  . VAL A 1 17  ? -7.985  31.743 -1.441  1   34.114 ? 17  VAL A CG2  1 ? 1 
ATOM   185  H  H    . VAL A 1 17  ? -7.523  29.743 -3.531  1   35.542 ? 17  VAL A H    1 c 1 
ATOM   186  H  HA   . VAL A 1 17  ? -8.556  29.103 -1.069  1   35.842 ? 17  VAL A HA   1 c 1 
ATOM   187  H  HB   . VAL A 1 17  ? -9.388  31.177 -2.831  1   36.487 ? 17  VAL A HB   1 c 1 
ATOM   188  H  HG11 . VAL A 1 17  ? -10.246 30.751 -0.156  1   37.513 ? 17  VAL A HG11 1 c 1 
ATOM   189  H  HG12 . VAL A 1 17  ? -11.174 30.736 -1.445  1   36.455 ? 17  VAL A HG12 1 c 1 
ATOM   190  H  HG13 . VAL A 1 17  ? -10.537 32.1   -0.941  1   38.398 ? 17  VAL A HG13 1 c 1 
ATOM   191  H  HG21 . VAL A 1 17  ? -8.252  32.676 -1.396  1   39.423 ? 17  VAL A HG21 1 c 1 
ATOM   192  H  HG22 . VAL A 1 17  ? -7.246  31.648 -2.065  1   38.293 ? 17  VAL A HG22 1 c 1 
ATOM   193  H  HG23 . VAL A 1 17  ? -7.704  31.444 -0.559  1   38.84  ? 17  VAL A HG23 1 c 1 
ATOM   194  N  N    . ILE A 1 18  ? -10.63  27.848 -1.536  1   31.515 ? 18  ILE A N    1 ? 1 
ATOM   195  C  CA   . ILE A 1 18  ? -11.866 27.149 -1.855  1   30.229 ? 18  ILE A CA   1 ? 1 
ATOM   196  C  C    . ILE A 1 18  ? -13.034 27.747 -1.079  1   32.804 ? 18  ILE A C    1 ? 1 
ATOM   197  O  O    . ILE A 1 18  ? -14.17  27.567 -1.498  1   32.783 ? 18  ILE A O    1 ? 1 
ATOM   198  C  CB   . ILE A 1 18  ? -11.759 25.627 -1.616  1   28.932 ? 18  ILE A CB   1 ? 1 
ATOM   199  C  CG1  . ILE A 1 18  ? -11.629 25.272 -0.132  1   30.67  ? 18  ILE A CG1  1 ? 1 
ATOM   200  C  CG2  . ILE A 1 18  ? -10.609 25.042 -2.431  1   29.145 ? 18  ILE A CG2  1 ? 1 
ATOM   201  C  CD1  . ILE A 1 18  ? -11.745 23.79  0.169   1   30.206 ? 18  ILE A CD1  1 ? 1 
ATOM   202  H  H    . ILE A 1 18  ? -10.279 27.765 -0.696  1   34.427 ? 18  ILE A H    1 c 1 
ATOM   203  H  HA   . ILE A 1 18  ? -12.046 27.282 -2.805  1   32.626 ? 18  ILE A HA   1 c 1 
ATOM   204  H  HB   . ILE A 1 18  ? -12.588 25.222 -1.941  1   31.765 ? 18  ILE A HB   1 c 1 
ATOM   205  H  HG12 . ILE A 1 18  ? -10.761 25.588 0.188   1   33.465 ? 18  ILE A HG12 1 c 1 
ATOM   206  H  HG13 . ILE A 1 18  ? -12.323 25.747 0.369   1   33.452 ? 18  ILE A HG13 1 c 1 
ATOM   207  H  HG21 . ILE A 1 18  ? -10.649 24.071 -2.404  1   31.334 ? 18  ILE A HG21 1 c 1 
ATOM   208  H  HG22 . ILE A 1 18  ? -9.761  25.341 -2.059  1   32.302 ? 18  ILE A HG22 1 c 1 
ATOM   209  H  HG23 . ILE A 1 18  ? -10.678 25.341 -3.354  1   31.474 ? 18  ILE A HG23 1 c 1 
ATOM   210  H  HD11 . ILE A 1 18  ? -12.591 23.451 -0.181  1   31.958 ? 18  ILE A HD11 1 c 1 
ATOM   211  H  HD12 . ILE A 1 18  ? -11.717 23.652 1.135   1   33.015 ? 18  ILE A HD12 1 c 1 
ATOM   212  H  HD13 . ILE A 1 18  ? -11.006 23.307 -0.247  1   32.104 ? 18  ILE A HD13 1 c 1 
ATOM   213  N  N    . GLY A 1 19  ? -12.775 28.406 0.06    1   33.799 ? 19  GLY A N    1 ? 1 
ATOM   214  C  CA   . GLY A 1 19  ? -13.868 28.908 0.876   1   34.281 ? 19  GLY A CA   1 ? 1 
ATOM   215  C  C    . GLY A 1 19  ? -13.465 30.159 1.642   1   36.233 ? 19  GLY A C    1 ? 1 
ATOM   216  O  O    . GLY A 1 19  ? -12.319 30.286 2.079   1   37.105 ? 19  GLY A O    1 ? 1 
ATOM   217  H  H    . GLY A 1 19  ? -11.914 28.542 0.334   1   35.511 ? 19  GLY A H    1 c 1 
ATOM   218  H  HA2  . GLY A 1 19  ? -14.637 29.111 0.296   1   36.209 ? 19  GLY A HA2  1 c 1 
ATOM   219  H  HA3  . GLY A 1 19  ? -14.144 28.207 1.512   1   36.245 ? 19  GLY A HA3  1 c 1 
ATOM   220  N  N    . ARG A 1 20  ? -14.432 31.06  1.817   1   36.915 ? 20  ARG A N    1 ? 1 
ATOM   221  C  CA   . ARG A 1 20  ? -14.222 32.254 2.613   1   41.459 ? 20  ARG A CA   1 ? 1 
ATOM   222  C  C    . ARG A 1 20  ? -15.543 32.669 3.24    1   44.952 ? 20  ARG A C    1 ? 1 
ATOM   223  O  O    . ARG A 1 20  ? -16.555 32.769 2.553   1   45.354 ? 20  ARG A O    1 ? 1 
ATOM   224  C  CB   . ARG A 1 20  ? -13.647 33.367 1.73    1   42.743 ? 20  ARG A CB   1 ? 1 
ATOM   225  C  CG   . ARG A 1 20  ? -13.448 34.707 2.423   1   45.518 ? 20  ARG A CG   1 ? 1 
ATOM   226  C  CD   . ARG A 1 20  ? -12.718 35.718 1.54    1   47.333 ? 20  ARG A CD   1 ? 1 
ATOM   227  N  NE   . ARG A 1 20  ? -11.324 35.354 1.252   1   45.639 ? 20  ARG A NE   1 ? 1 
ATOM   228  C  CZ   . ARG A 1 20  ? -10.55  35.978 0.359   1   47.042 ? 20  ARG A CZ   1 ? 1 
ATOM   229  N  NH1  . ARG A 1 20  ? -11.02  37.011 -0.332  1   49.254 ? 20  ARG A NH1  1 ? 1 
ATOM   230  N  NH2  . ARG A 1 20  ? -9.299  35.591 0.164   1   43.914 ? 20  ARG A NH2  1 ? 1 
ATOM   231  H  H    . ARG A 1 20  ? -15.248 30.928 1.427   1   39.223 ? 20  ARG A H    1 c 1 
ATOM   232  H  HA   . ARG A 1 20  ? -13.576 32.044 3.334   1   42.053 ? 20  ARG A HA   1 c 1 
ATOM   233  H  HB2  . ARG A 1 20  ? -12.782 33.067 1.377   1   41.382 ? 20  ARG A HB2  1 c 1 
ATOM   234  H  HB3  . ARG A 1 20  ? -14.247 33.498 0.965   1   41.835 ? 20  ARG A HB3  1 c 1 
ATOM   235  H  HG2  . ARG A 1 20  ? -14.323 35.076 2.672   1   45.856 ? 20  ARG A HG2  1 c 1 
ATOM   236  H  HG3  . ARG A 1 20  ? -12.931 34.57  3.247   1   45.425 ? 20  ARG A HG3  1 c 1 
ATOM   237  H  HD2  . ARG A 1 20  ? -13.207 35.801 0.696   1   44.844 ? 20  ARG A HD2  1 c 1 
ATOM   238  H  HD3  . ARG A 1 20  ? -12.735 36.591 1.981   1   47.32  ? 20  ARG A HD3  1 c 1 
ATOM   239  H  HE   . ARG A 1 20  ? -10.981 34.69  1.693   1   43.983 ? 20  ARG A HE   1 c 1 
ATOM   240  H  HH11 . ARG A 1 20  ? -11.775 37.409 -0.091  1   46.697 ? 20  ARG A HH11 1 c 1 
ATOM   241  H  HH12 . ARG A 1 20  ? -10.57  37.304 -1.039  1   45.781 ? 20  ARG A HH12 1 c 1 
ATOM   242  H  HH21 . ARG A 1 20  ? -8.967  34.917 0.626   1   43.724 ? 20  ARG A HH21 1 c 1 
ATOM   243  H  HH22 . ARG A 1 20  ? -8.796  36.009 -0.431  1   44.523 ? 20  ARG A HH22 1 c 1 
ATOM   244  N  N    . GLY A 1 21  ? -15.527 32.916 4.549   1   48.393 ? 21  GLY A N    1 ? 1 
ATOM   245  C  CA   . GLY A 1 21  ? -16.729 33.363 5.23    1   53.046 ? 21  GLY A CA   1 ? 1 
ATOM   246  C  C    . GLY A 1 21  ? -17.851 32.333 5.135   1   53.517 ? 21  GLY A C    1 ? 1 
ATOM   247  O  O    . GLY A 1 21  ? -19.026 32.704 5.15    1   57.755 ? 21  GLY A O    1 ? 1 
ATOM   248  H  H    . GLY A 1 21  ? -14.757 32.807 5.029   1   45.255 ? 21  GLY A H    1 c 1 
ATOM   249  H  HA2  . GLY A 1 21  ? -16.518 33.532 6.178   1   48.434 ? 21  GLY A HA2  1 c 1 
ATOM   250  H  HA3  . GLY A 1 21  ? -17.028 34.213 4.83    1   48.032 ? 21  GLY A HA3  1 c 1 
ATOM   251  N  N    . GLY A 1 22  ? -17.472 31.046 5.03    1   50.673 ? 22  GLY A N    1 ? 1 
ATOM   252  C  CA   . GLY A 1 22  ? -18.412 29.93  5.074   1   49.22  ? 22  GLY A CA   1 ? 1 
ATOM   253  C  C    . GLY A 1 22  ? -19.06  29.643 3.718   1   47.301 ? 22  GLY A C    1 ? 1 
ATOM   254  O  O    . GLY A 1 22  ? -19.926 28.774 3.611   1   48.917 ? 22  GLY A O    1 ? 1 
ATOM   255  H  H    . GLY A 1 22  ? -16.583 30.854 4.941   1   43.235 ? 22  GLY A H    1 c 1 
ATOM   256  H  HA2  . GLY A 1 22  ? -17.933 29.125 5.382   1   42.424 ? 22  GLY A HA2  1 c 1 
ATOM   257  H  HA3  . GLY A 1 22  ? -19.115 30.131 5.735   1   44.757 ? 22  GLY A HA3  1 c 1 
ATOM   258  N  N    . ASP A 1 23  ? -18.61  30.349 2.676   1   46.018 ? 23  ASP A N    1 ? 1 
ATOM   259  C  CA   . ASP A 1 23  ? -19.167 30.237 1.34    1   44.964 ? 23  ASP A CA   1 ? 1 
ATOM   260  C  C    . ASP A 1 23  ? -18.053 29.974 0.337   1   41.434 ? 23  ASP A C    1 ? 1 
ATOM   261  O  O    . ASP A 1 23  ? -16.87  30.116 0.648   1   38.31  ? 23  ASP A O    1 ? 1 
ATOM   262  C  CB   . ASP A 1 23  ? -19.846 31.532 0.917   1   49.355 ? 23  ASP A CB   1 ? 1 
ATOM   263  C  CG   . ASP A 1 23  ? -21.095 31.903 1.704   1   54.347 ? 23  ASP A CG   1 ? 1 
ATOM   264  O  OD1  . ASP A 1 23  ? -21.568 31.066 2.478   1   56.134 ? 23  ASP A OD1  1 ? 1 
ATOM   265  O  OD2  . ASP A 1 23  ? -21.582 33.037 1.543   1   60.596 ? 23  ASP A OD2  1 ? 1 
ATOM   266  H  H    . ASP A 1 23  ? -17.91  30.922 2.802   1   41.694 ? 23  ASP A H    1 c 1 
ATOM   267  H  HA   . ASP A 1 23  ? -19.81  29.493 1.316   1   39.978 ? 23  ASP A HA   1 c 1 
ATOM   268  H  HB2  . ASP A 1 23  ? -19.202 32.265 1.007   1   42.613 ? 23  ASP A HB2  1 c 1 
ATOM   269  H  HB3  . ASP A 1 23  ? -20.099 31.47  -0.027  1   41.445 ? 23  ASP A HB3  1 c 1 
ATOM   270  N  N    . ILE A 1 24  ? -18.473 29.677 -0.894  1   41.385 ? 24  ILE A N    1 ? 1 
ATOM   271  C  CA   . ILE A 1 24  ? -17.584 29.677 -2.041  1   39.92  ? 24  ILE A CA   1 ? 1 
ATOM   272  C  C    . ILE A 1 24  ? -17.539 31.099 -2.586  1   39.883 ? 24  ILE A C    1 ? 1 
ATOM   273  O  O    . ILE A 1 24  ? -18.576 31.673 -2.86   1   40.731 ? 24  ILE A O    1 ? 1 
ATOM   274  C  CB   . ILE A 1 24  ? -18.063 28.673 -3.092  1   39.324 ? 24  ILE A CB   1 ? 1 
ATOM   275  C  CG1  . ILE A 1 24  ? -18.127 27.264 -2.474  1   42.203 ? 24  ILE A CG1  1 ? 1 
ATOM   276  C  CG2  . ILE A 1 24  ? -17.169 28.75  -4.329  1   36.753 ? 24  ILE A CG2  1 ? 1 
ATOM   277  C  CD1  . ILE A 1 24  ? -18.432 26.146 -3.441  1   42.929 ? 24  ILE A CD1  1 ? 1 
ATOM   278  H  H    . ILE A 1 24  ? -19.352 29.462 -1.023  1   37.868 ? 24  ILE A H    1 c 1 
ATOM   279  H  HA   . ILE A 1 24  ? -16.693 29.415 -1.747  1   35.827 ? 24  ILE A HA   1 c 1 
ATOM   280  H  HB   . ILE A 1 24  ? -18.97  28.926 -3.357  1   35.812 ? 24  ILE A HB   1 c 1 
ATOM   281  H  HG12 . ILE A 1 24  ? -17.268 27.076 -2.044  1   33.898 ? 24  ILE A HG12 1 c 1 
ATOM   282  H  HG13 . ILE A 1 24  ? -18.813 27.263 -1.776  1   35.044 ? 24  ILE A HG13 1 c 1 
ATOM   283  H  HG21 . ILE A 1 24  ? -17.487 28.127 -5.002  1   33.638 ? 24  ILE A HG21 1 c 1 
ATOM   284  H  HG22 . ILE A 1 24  ? -16.255 28.523 -4.085  1   33.714 ? 24  ILE A HG22 1 c 1 
ATOM   285  H  HG23 . ILE A 1 24  ? -17.189 29.651 -4.693  1   34.932 ? 24  ILE A HG23 1 c 1 
ATOM   286  H  HD11 . ILE A 1 24  ? -19.268 26.336 -3.907  1   33.713 ? 24  ILE A HD11 1 c 1 
ATOM   287  H  HD12 . ILE A 1 24  ? -18.52  25.309 -2.948  1   32.96  ? 24  ILE A HD12 1 c 1 
ATOM   288  H  HD13 . ILE A 1 24  ? -17.71  26.061 -4.092  1   32.55  ? 24  ILE A HD13 1 c 1 
ATOM   289  N  N    . PRO A 1 25  ? -16.36  31.742 -2.692  1   38.925 ? 25  PRO A N    1 ? 1 
ATOM   290  C  CA   . PRO A 1 25  ? -16.317 33.178 -2.953  1   39.303 ? 25  PRO A CA   1 ? 1 
ATOM   291  C  C    . PRO A 1 25  ? -16.287 33.544 -4.43   1   40.561 ? 25  PRO A C    1 ? 1 
ATOM   292  O  O    . PRO A 1 25  ? -15.493 34.37  -4.854  1   41.559 ? 25  PRO A O    1 ? 1 
ATOM   293  C  CB   . PRO A 1 25  ? -15.027 33.558 -2.212  1   39.32  ? 25  PRO A CB   1 ? 1 
ATOM   294  C  CG   . PRO A 1 25  ? -14.124 32.361 -2.422  1   35.313 ? 25  PRO A CG   1 ? 1 
ATOM   295  C  CD   . PRO A 1 25  ? -15.036 31.152 -2.448  1   37.337 ? 25  PRO A CD   1 ? 1 
ATOM   296  H  HA   . PRO A 1 25  ? -17.089 33.615 -2.514  1   40.54  ? 25  PRO A HA   1 c 1 
ATOM   297  H  HB2  . PRO A 1 25  ? -14.626 34.375 -2.59   1   40.541 ? 25  PRO A HB2  1 c 1 
ATOM   298  H  HB3  . PRO A 1 25  ? -15.203 33.703 -1.253  1   40.644 ? 25  PRO A HB3  1 c 1 
ATOM   299  H  HG2  . PRO A 1 25  ? -13.636 32.44  -3.267  1   37.389 ? 25  PRO A HG2  1 c 1 
ATOM   300  H  HG3  . PRO A 1 25  ? -13.475 32.286 -1.692  1   38.081 ? 25  PRO A HG3  1 c 1 
ATOM   301  H  HD2  . PRO A 1 25  ? -14.784 30.534 -3.169  1   35.531 ? 25  PRO A HD2  1 c 1 
ATOM   302  H  HD3  . PRO A 1 25  ? -15.01  30.677 -1.588  1   36.615 ? 25  PRO A HD3  1 c 1 
ATOM   303  N  N    . TRP A 1 26  ? -17.147 32.893 -5.209  1   40.007 ? 26  TRP A N    1 ? 1 
ATOM   304  C  CA   . TRP A 1 26  ? -17.379 33.242 -6.595  1   40.491 ? 26  TRP A CA   1 ? 1 
ATOM   305  C  C    . TRP A 1 26  ? -18.688 32.582 -6.992  1   40.8   ? 26  TRP A C    1 ? 1 
ATOM   306  O  O    . TRP A 1 26  ? -19.236 31.765 -6.246  1   40.181 ? 26  TRP A O    1 ? 1 
ATOM   307  C  CB   . TRP A 1 26  ? -16.236 32.768 -7.507  1   36.529 ? 26  TRP A CB   1 ? 1 
ATOM   308  C  CG   . TRP A 1 26  ? -15.978 31.292 -7.371  1   34.471 ? 26  TRP A CG   1 ? 1 
ATOM   309  C  CD1  . TRP A 1 26  ? -16.754 30.287 -7.851  1   33.361 ? 26  TRP A CD1  1 ? 1 
ATOM   310  C  CD2  . TRP A 1 26  ? -14.886 30.661 -6.665  1   33.31  ? 26  TRP A CD2  1 ? 1 
ATOM   311  N  NE1  . TRP A 1 26  ? -16.213 29.073 -7.517  1   34.152 ? 26  TRP A NE1  1 ? 1 
ATOM   312  C  CE2  . TRP A 1 26  ? -15.077 29.272 -6.778  1   33.269 ? 26  TRP A CE2  1 ? 1 
ATOM   313  C  CE3  . TRP A 1 26  ? -13.787 31.131 -5.944  1   33.088 ? 26  TRP A CE3  1 ? 1 
ATOM   314  C  CZ2  . TRP A 1 26  ? -14.209 28.357 -6.194  1   31.675 ? 26  TRP A CZ2  1 ? 1 
ATOM   315  C  CZ3  . TRP A 1 26  ? -12.946 30.224 -5.344  1   32.032 ? 26  TRP A CZ3  1 ? 1 
ATOM   316  C  CH2  . TRP A 1 26  ? -13.149 28.856 -5.475  1   30.838 ? 26  TRP A CH2  1 ? 1 
ATOM   317  H  H    . TRP A 1 26  ? -17.616 32.194 -4.857  1   37.865 ? 26  TRP A H    1 c 1 
ATOM   318  H  HA   . TRP A 1 26  ? -17.471 34.23  -6.672  1   39.855 ? 26  TRP A HA   1 c 1 
ATOM   319  H  HB2  . TRP A 1 26  ? -16.47  32.97  -8.438  1   37.399 ? 26  TRP A HB2  1 c 1 
ATOM   320  H  HB3  . TRP A 1 26  ? -15.42  33.26  -7.273  1   37.475 ? 26  TRP A HB3  1 c 1 
ATOM   321  H  HD1  . TRP A 1 26  ? -17.537 30.397 -8.366  1   35.135 ? 26  TRP A HD1  1 c 1 
ATOM   322  H  HE1  . TRP A 1 26  ? -16.551 28.295 -7.727  1   32.863 ? 26  TRP A HE1  1 c 1 
ATOM   323  H  HE3  . TRP A 1 26  ? -13.646 32.057 -5.84   1   35.92  ? 26  TRP A HE3  1 c 1 
ATOM   324  H  HZ2  . TRP A 1 26  ? -14.354 27.43  -6.273  1   31.756 ? 26  TRP A HZ2  1 c 1 
ATOM   325  H  HZ3  . TRP A 1 26  ? -12.197 30.536 -4.864  1   34.516 ? 26  TRP A HZ3  1 c 1 
ATOM   326  H  HH2  . TRP A 1 26  ? -12.543 28.259 -5.074  1   32.471 ? 26  TRP A HH2  1 c 1 
ATOM   327  N  N    . SER A 1 27  ? -19.146 32.913 -8.189  1   41.479 ? 27  SER A N    1 ? 1 
ATOM   328  C  CA   . SER A 1 27  ? -20.262 32.208 -8.786  1   44.76  ? 27  SER A CA   1 ? 1 
ATOM   329  C  C    . SER A 1 27  ? -19.899 31.843 -10.234 1   44.872 ? 27  SER A C    1 ? 1 
ATOM   330  O  O    . SER A 1 27  ? -19.718 32.716 -11.1   1   48.152 ? 27  SER A O    1 ? 1 
ATOM   331  C  CB   . SER A 1 27  ? -21.524 33.025 -8.65   1   50.248 ? 27  SER A CB   1 ? 1 
ATOM   332  O  OG   . SER A 1 27  ? -22.645 32.315 -9.157  1   53.191 ? 27  SER A OG   1 ? 1 
ATOM   333  H  H    . SER A 1 27  ? -18.756 33.599 -8.65   1   39.528 ? 27  SER A H    1 c 1 
ATOM   334  H  HA   . SER A 1 27  ? -20.393 31.364 -8.285  1   38.156 ? 27  SER A HA   1 c 1 
ATOM   335  H  HB2  . SER A 1 27  ? -21.671 33.237 -7.709  1   41.688 ? 27  SER A HB2  1 c 1 
ATOM   336  H  HB3  . SER A 1 27  ? -21.421 33.863 -9.14   1   42.14  ? 27  SER A HB3  1 c 1 
ATOM   337  H  HG   . SER A 1 27  ? -23.332 32.8   -9.052  0   30     ? 27  SER A HG   1 c 1 
ATOM   338  N  N    . VAL A 1 28  ? -19.709 30.53  -10.434 1   37.678 ? 28  VAL A N    1 ? 1 
ATOM   339  C  CA   . VAL A 1 28  ? -19.382 29.935 -11.71  1   35.857 ? 28  VAL A CA   1 ? 1 
ATOM   340  C  C    . VAL A 1 28  ? -20.307 28.729 -11.873 1   36.372 ? 28  VAL A C    1 ? 1 
ATOM   341  O  O    . VAL A 1 28  ? -20.04  27.622 -11.399 1   33.764 ? 28  VAL A O    1 ? 1 
ATOM   342  C  CB   . VAL A 1 28  ? -17.893 29.554 -11.811 1   33.802 ? 28  VAL A CB   1 ? 1 
ATOM   343  C  CG1  . VAL A 1 28  ? -17.63  28.746 -13.065 1   34.084 ? 28  VAL A CG1  1 ? 1 
ATOM   344  C  CG2  . VAL A 1 28  ? -16.985 30.783 -11.762 1   34.553 ? 28  VAL A CG2  1 ? 1 
ATOM   345  H  H    . VAL A 1 28  ? -19.789 29.971 -9.715  1   36.246 ? 28  VAL A H    1 c 1 
ATOM   346  H  HA   . VAL A 1 28  ? -19.579 30.581 -12.413 1   37.164 ? 28  VAL A HA   1 c 1 
ATOM   347  H  HB   . VAL A 1 28  ? -17.682 28.987 -11.033 1   34.187 ? 28  VAL A HB   1 c 1 
ATOM   348  H  HG11 . VAL A 1 28  ? -17.997 29.214 -13.835 1   35.443 ? 28  VAL A HG11 1 c 1 
ATOM   349  H  HG12 . VAL A 1 28  ? -18.048 27.873 -12.987 1   34.168 ? 28  VAL A HG12 1 c 1 
ATOM   350  H  HG13 . VAL A 1 28  ? -16.671 28.633 -13.182 1   34.067 ? 28  VAL A HG13 1 c 1 
ATOM   351  H  HG21 . VAL A 1 28  ? -16.062 30.513 -11.893 1   34.914 ? 28  VAL A HG21 1 c 1 
ATOM   352  H  HG22 . VAL A 1 28  ? -17.075 31.219 -10.897 1   35.846 ? 28  VAL A HG22 1 c 1 
ATOM   353  H  HG23 . VAL A 1 28  ? -17.242 31.404 -12.465 1   36.463 ? 28  VAL A HG23 1 c 1 
ATOM   354  N  N    . PRO A 1 29  ? -21.471 28.941 -12.506 1   36.525 ? 29  PRO A N    1 ? 1 
ATOM   355  C  CA   . PRO A 1 29  ? -22.442 27.858 -12.69  1   37.057 ? 29  PRO A CA   1 ? 1 
ATOM   356  C  C    . PRO A 1 29  ? -21.894 26.59  -13.351 1   35.504 ? 29  PRO A C    1 ? 1 
ATOM   357  O  O    . PRO A 1 29  ? -22.304 25.479 -13.019 1   34.621 ? 29  PRO A O    1 ? 1 
ATOM   358  C  CB   . PRO A 1 29  ? -23.532 28.523 -13.543 1   40.844 ? 29  PRO A CB   1 ? 1 
ATOM   359  C  CG   . PRO A 1 29  ? -23.368 30.016 -13.326 1   42.045 ? 29  PRO A CG   1 ? 1 
ATOM   360  C  CD   . PRO A 1 29  ? -21.918 30.256 -12.981 1   38.479 ? 29  PRO A CD   1 ? 1 
ATOM   361  H  HA   . PRO A 1 29  ? -22.82  27.627 -11.804 1   37.507 ? 29  PRO A HA   1 c 1 
ATOM   362  H  HB2  . PRO A 1 29  ? -23.418 28.296 -14.496 1   39.739 ? 29  PRO A HB2  1 c 1 
ATOM   363  H  HB3  . PRO A 1 29  ? -24.428 28.226 -13.257 1   40.322 ? 29  PRO A HB3  1 c 1 
ATOM   364  H  HG2  . PRO A 1 29  ? -23.611 30.509 -14.138 1   41.676 ? 29  PRO A HG2  1 c 1 
ATOM   365  H  HG3  . PRO A 1 29  ? -23.946 30.321 -12.595 1   41.312 ? 29  PRO A HG3  1 c 1 
ATOM   366  H  HD2  . PRO A 1 29  ? -21.41  30.54  -13.773 1   39.186 ? 29  PRO A HD2  1 c 1 
ATOM   367  H  HD3  . PRO A 1 29  ? -21.833 30.937 -12.278 1   39.475 ? 29  PRO A HD3  1 c 1 
ATOM   368  N  N    . GLU A 1 30  ? -20.962 26.761 -14.299 1   33.899 ? 30  GLU A N    1 ? 1 
ATOM   369  C  CA   . GLU A 1 30  ? -20.468 25.644 -15.068 1   34.289 ? 30  GLU A CA   1 ? 1 
ATOM   370  C  C    . GLU A 1 30  ? -19.761 24.697 -14.102 1   33.536 ? 30  GLU A C    1 ? 1 
ATOM   371  O  O    . GLU A 1 30  ? -19.695 23.498 -14.355 1   31.909 ? 30  GLU A O    1 ? 1 
ATOM   372  C  CB   . GLU A 1 30  ? -19.544 26.083 -16.212 1   35.71  ? 30  GLU A CB   1 ? 1 
ATOM   373  C  CG   . GLU A 1 30  ? -20.219 26.99  -17.242 1   36.055 ? 30  GLU A CG   1 ? 1 
ATOM   374  C  CD   . GLU A 1 30  ? -20.329 28.454 -16.825 1   36.694 ? 30  GLU A CD   1 ? 1 
ATOM   375  O  OE1  . GLU A 1 30  ? -19.939 28.839 -15.709 1   36.893 ? 30  GLU A OE1  1 ? 1 
ATOM   376  O  OE2  . GLU A 1 30  ? -20.784 29.242 -17.659 1   36.405 ? 30  GLU A OE2  1 ? 1 
ATOM   377  H  H    . GLU A 1 30  ? -20.623 27.594 -14.457 1   36.471 ? 30  GLU A H    1 c 1 
ATOM   378  H  HA   . GLU A 1 30  ? -21.246 25.17  -15.459 1   36.351 ? 30  GLU A HA   1 c 1 
ATOM   379  H  HB2  . GLU A 1 30  ? -18.771 26.549 -15.831 1   35.331 ? 30  GLU A HB2  1 c 1 
ATOM   380  H  HB3  . GLU A 1 30  ? -19.212 25.283 -16.671 1   35.674 ? 30  GLU A HB3  1 c 1 
ATOM   381  H  HG2  . GLU A 1 30  ? -19.718 26.945 -18.084 1   37.847 ? 30  GLU A HG2  1 c 1 
ATOM   382  H  HG3  . GLU A 1 30  ? -21.122 26.651 -17.42  1   38.299 ? 30  GLU A HG3  1 c 1 
ATOM   383  N  N    . ASP A 1 31  ? -19.269 25.224 -12.974 1   32.611 ? 31  ASP A N    1 ? 1 
ATOM   384  C  CA   . ASP A 1 31  ? -18.578 24.383 -12.011 1   32.447 ? 31  ASP A CA   1 ? 1 
ATOM   385  C  C    . ASP A 1 31  ? -19.572 23.485 -11.273 1   32.11  ? 31  ASP A C    1 ? 1 
ATOM   386  O  O    . ASP A 1 31  ? -19.277 22.317 -10.995 1   29.088 ? 31  ASP A O    1 ? 1 
ATOM   387  C  CB   . ASP A 1 31  ? -17.802 25.157 -10.964 1   29.589 ? 31  ASP A CB   1 ? 1 
ATOM   388  C  CG   . ASP A 1 31  ? -17.256 24.261 -9.869  1   30.022 ? 31  ASP A CG   1 ? 1 
ATOM   389  O  OD1  . ASP A 1 31  ? -16.358 23.436 -10.203 1   28.946 ? 31  ASP A OD1  1 ? 1 
ATOM   390  O  OD2  . ASP A 1 31  ? -17.784 24.36  -8.714  1   28.382 ? 31  ASP A OD2  1 ? 1 
ATOM   391  H  H    . ASP A 1 31  ? -19.349 26.118 -12.805 1   33.9   ? 31  ASP A H    1 c 1 
ATOM   392  H  HA   . ASP A 1 31  ? -17.941 23.813 -12.498 1   32.054 ? 31  ASP A HA   1 c 1 
ATOM   393  H  HB2  . ASP A 1 31  ? -17.053 25.62  -11.393 1   31.882 ? 31  ASP A HB2  1 c 1 
ATOM   394  H  HB3  . ASP A 1 31  ? -18.387 25.828 -10.555 1   32.442 ? 31  ASP A HB3  1 c 1 
ATOM   395  N  N    . LEU A 1 32  ? -20.733 24.05  -10.931 1   31.844 ? 32  LEU A N    1 ? 1 
ATOM   396  C  CA   . LEU A 1 32  ? -21.741 23.255 -10.261 1   32.783 ? 32  LEU A CA   1 ? 1 
ATOM   397  C  C    . LEU A 1 32  ? -22.256 22.156 -11.187 1   32.319 ? 32  LEU A C    1 ? 1 
ATOM   398  O  O    . LEU A 1 32  ? -22.525 21.053 -10.717 1   32.35  ? 32  LEU A O    1 ? 1 
ATOM   399  C  CB   . LEU A 1 32  ? -22.851 24.131 -9.694  1   34.163 ? 32  LEU A CB   1 ? 1 
ATOM   400  C  CG   . LEU A 1 32  ? -22.363 25.18  -8.687  1   36.642 ? 32  LEU A CG   1 ? 1 
ATOM   401  C  CD1  . LEU A 1 32  ? -23.532 25.949 -8.11   1   40.63  ? 32  LEU A CD1  1 ? 1 
ATOM   402  C  CD2  . LEU A 1 32  ? -21.523 24.586 -7.565  1   37.077 ? 32  LEU A CD2  1 ? 1 
ATOM   403  H  H    . LEU A 1 32  ? -20.897 24.931 -11.114 1   33.935 ? 32  LEU A H    1 c 1 
ATOM   404  H  HA   . LEU A 1 32  ? -21.296 22.798 -9.503  1   33.154 ? 32  LEU A HA   1 c 1 
ATOM   405  H  HB2  . LEU A 1 32  ? -23.294 24.594 -10.442 1   48.464 ? 32  LEU A HB2  1 c 1 
ATOM   406  H  HB3  . LEU A 1 32  ? -23.51  23.55  -9.249  1   48.062 ? 32  LEU A HB3  1 c 1 
ATOM   407  H  HG   . LEU A 1 32  ? -21.793 25.828 -9.176  1   34.798 ? 32  LEU A HG   1 c 1 
ATOM   408  H  HD11 . LEU A 1 32  ? -24.011 26.398 -8.827  1   37.46  ? 32  LEU A HD11 1 c 1 
ATOM   409  H  HD12 . LEU A 1 32  ? -23.206 26.61  -7.476  1   36.676 ? 32  LEU A HD12 1 c 1 
ATOM   410  H  HD13 . LEU A 1 32  ? -24.133 25.335 -7.655  1   36.915 ? 32  LEU A HD13 1 c 1 
ATOM   411  H  HD21 . LEU A 1 32  ? -20.681 24.259 -7.925  1   32.975 ? 32  LEU A HD21 1 c 1 
ATOM   412  H  HD22 . LEU A 1 32  ? -22.006 23.851 -7.151  1   33.952 ? 32  LEU A HD22 1 c 1 
ATOM   413  H  HD23 . LEU A 1 32  ? -21.343 25.27  -6.897  1   34.044 ? 32  LEU A HD23 1 c 1 
ATOM   414  N  N    . THR A 1 33  ? -22.386 22.45  -12.49  1   34.304 ? 33  THR A N    1 ? 1 
ATOM   415  C  CA   . THR A 1 33  ? -22.799 21.453 -13.466 1   34.623 ? 33  THR A CA   1 ? 1 
ATOM   416  C  C    . THR A 1 33  ? -21.767 20.326 -13.509 1   33.674 ? 33  THR A C    1 ? 1 
ATOM   417  O  O    . THR A 1 33  ? -22.101 19.147 -13.543 1   32.583 ? 33  THR A O    1 ? 1 
ATOM   418  C  CB   . THR A 1 33  ? -22.936 22.109 -14.833 1   36.566 ? 33  THR A CB   1 ? 1 
ATOM   419  O  OG1  . THR A 1 33  ? -23.986 23.05  -14.679 1   37.706 ? 33  THR A OG1  1 ? 1 
ATOM   420  C  CG2  . THR A 1 33  ? -23.269 21.101 -15.914 1   37.819 ? 33  THR A CG2  1 ? 1 
ATOM   421  H  H    . THR A 1 33  ? -22.218 23.302 -12.776 1   35.157 ? 33  THR A H    1 c 1 
ATOM   422  H  HA   . THR A 1 33  ? -23.67  21.086 -13.197 1   36.478 ? 33  THR A HA   1 c 1 
ATOM   423  H  HB   . THR A 1 33  ? -22.102 22.581 -15.066 1   36.17  ? 33  THR A HB   1 c 1 
ATOM   424  H  HG1  . THR A 1 33  ? -24.711 22.642 -14.449 0   30     ? 33  THR A HG1  1 c 1 
ATOM   425  H  HG21 . THR A 1 33  ? -23.446 21.568 -16.749 1   45.81  ? 33  THR A HG21 1 c 1 
ATOM   426  H  HG22 . THR A 1 33  ? -24.057 20.594 -15.654 1   45.617 ? 33  THR A HG22 1 c 1 
ATOM   427  H  HG23 . THR A 1 33  ? -22.52  20.494 -16.038 1   44.332 ? 33  THR A HG23 1 c 1 
ATOM   428  N  N    . ARG A 1 34  ? -20.496 20.692 -13.598 1   30.355 ? 34  ARG A N    1 ? 1 
ATOM   429  C  CA   . ARG A 1 34  ? -19.465 19.679 -13.619 1   30.697 ? 34  ARG A CA   1 ? 1 
ATOM   430  C  C    . ARG A 1 34  ? -19.542 18.796 -12.374 1   29.58  ? 34  ARG A C    1 ? 1 
ATOM   431  O  O    . ARG A 1 34  ? -19.398 17.574 -12.467 1   30.46  ? 34  ARG A O    1 ? 1 
ATOM   432  C  CB   . ARG A 1 34  ? -18.14  20.439 -13.671 1   31.693 ? 34  ARG A CB   1 ? 1 
ATOM   433  C  CG   . ARG A 1 34  ? -16.944 19.506 -13.572 1   35.178 ? 34  ARG A CG   1 ? 1 
ATOM   434  C  CD   . ARG A 1 34  ? -17.018 18.579 -14.758 1   40.946 ? 34  ARG A CD   1 ? 1 
ATOM   435  N  NE   . ARG A 1 34  ? -15.75  17.853 -14.796 1   46.142 ? 34  ARG A NE   1 ? 1 
ATOM   436  C  CZ   . ARG A 1 34  ? -15.001 17.736 -15.862 1   50.618 ? 34  ARG A CZ   1 ? 1 
ATOM   437  N  NH1  . ARG A 1 34  ? -15.468 18.093 -17.054 1   57.519 ? 34  ARG A NH1  1 ? 1 
ATOM   438  N  NH2  . ARG A 1 34  ? -13.803 17.212 -15.744 1   52.72  ? 34  ARG A NH2  1 ? 1 
ATOM   439  H  H    . ARG A 1 34  ? -20.267 21.575 -13.656 1   33.696 ? 34  ARG A H    1 c 1 
ATOM   440  H  HA   . ARG A 1 34  ? -19.583 19.123 -14.429 1   33.9   ? 34  ARG A HA   1 c 1 
ATOM   441  H  HB2  . ARG A 1 34  ? -18.089 20.942 -14.512 1   32.889 ? 34  ARG A HB2  1 c 1 
ATOM   442  H  HB3  . ARG A 1 34  ? -18.106 21.082 -12.931 1   31.992 ? 34  ARG A HB3  1 c 1 
ATOM   443  H  HG2  . ARG A 1 34  ? -16.109 20.019 -13.602 1   31.686 ? 34  ARG A HG2  1 c 1 
ATOM   444  H  HG3  . ARG A 1 34  ? -16.981 18.987 -12.74  1   31.676 ? 34  ARG A HG3  1 c 1 
ATOM   445  H  HD2  . ARG A 1 34  ? -17.755 17.943 -14.663 1   33.448 ? 34  ARG A HD2  1 c 1 
ATOM   446  H  HD3  . ARG A 1 34  ? -17.139 19.087 -15.586 1   33.53  ? 34  ARG A HD3  1 c 1 
ATOM   447  H  HE   . ARG A 1 34  ? -15.479 17.469 -14.062 1   32.562 ? 34  ARG A HE   1 c 1 
ATOM   448  H  HH11 . ARG A 1 34  ? -16.259 17.791 -17.328 1   35.179 ? 34  ARG A HH11 1 c 1 
ATOM   449  H  HH12 . ARG A 1 34  ? -14.98  18.629 -17.573 1   34.823 ? 34  ARG A HH12 1 c 1 
ATOM   450  H  HH21 . ARG A 1 34  ? -13.496 16.978 -14.949 1   33.291 ? 34  ARG A HH21 1 c 1 
ATOM   451  H  HH22 . ARG A 1 34  ? -13.305 17.095 -16.466 1   34.459 ? 34  ARG A HH22 1 c 1 
ATOM   452  N  N    . PHE A 1 35  ? -19.7   19.436 -11.209 1   27.033 ? 35  PHE A N    1 ? 1 
ATOM   453  C  CA   . PHE A 1 35  ? -19.756 18.735 -9.938  1   27.838 ? 35  PHE A CA   1 ? 1 
ATOM   454  C  C    . PHE A 1 35  ? -20.862 17.671 -9.946  1   28.791 ? 35  PHE A C    1 ? 1 
ATOM   455  O  O    . PHE A 1 35  ? -20.678 16.537 -9.507  1   28.481 ? 35  PHE A O    1 ? 1 
ATOM   456  C  CB   . PHE A 1 35  ? -19.989 19.759 -8.824  1   26.809 ? 35  PHE A CB   1 ? 1 
ATOM   457  C  CG   . PHE A 1 35  ? -20.308 19.128 -7.478  1   26.844 ? 35  PHE A CG   1 ? 1 
ATOM   458  C  CD1  . PHE A 1 35  ? -19.311 18.507 -6.738  1   26.832 ? 35  PHE A CD1  1 ? 1 
ATOM   459  C  CD2  . PHE A 1 35  ? -21.615 19.099 -6.988  1   28.349 ? 35  PHE A CD2  1 ? 1 
ATOM   460  C  CE1  . PHE A 1 35  ? -19.603 17.915 -5.52   1   28.337 ? 35  PHE A CE1  1 ? 1 
ATOM   461  C  CE2  . PHE A 1 35  ? -21.899 18.501 -5.769  1   29.081 ? 35  PHE A CE2  1 ? 1 
ATOM   462  C  CZ   . PHE A 1 35  ? -20.901 17.91  -5.04   1   28.827 ? 35  PHE A CZ   1 ? 1 
ATOM   463  H  H    . PHE A 1 35  ? -19.768 20.348 -11.209 1   39.528 ? 35  PHE A H    1 c 1 
ATOM   464  H  HA   . PHE A 1 35  ? -18.881 18.288 -9.784  1   31.472 ? 35  PHE A HA   1 c 1 
ATOM   465  H  HB2  . PHE A 1 35  ? -19.183 20.313 -8.734  1   38.504 ? 35  PHE A HB2  1 c 1 
ATOM   466  H  HB3  . PHE A 1 35  ? -20.733 20.344 -9.085  1   39.66  ? 35  PHE A HB3  1 c 1 
ATOM   467  H  HD1  . PHE A 1 35  ? -18.423 18.508 -7.059  1   41.758 ? 35  PHE A HD1  1 c 1 
ATOM   468  H  HD2  . PHE A 1 35  ? -22.307 19.506 -7.484  1   44.287 ? 35  PHE A HD2  1 c 1 
ATOM   469  H  HE1  . PHE A 1 35  ? -18.914 17.508 -5.019  1   42.254 ? 35  PHE A HE1  1 c 1 
ATOM   470  H  HE2  . PHE A 1 35  ? -22.784 18.502 -5.441  1   45.091 ? 35  PHE A HE2  1 c 1 
ATOM   471  H  HZ   . PHE A 1 35  ? -21.097 17.505 -4.21   1   43.79  ? 35  PHE A HZ   1 c 1 
ATOM   472  N  N    . LYS A 1 36  ? -22.022 18.053 -10.453 1   30.07  ? 36  LYS A N    1 ? 1 
ATOM   473  C  CA   . LYS A 1 36  ? -23.136 17.139 -10.584 1   33.421 ? 36  LYS A CA   1 ? 1 
ATOM   474  C  C    . LYS A 1 36  ? -22.762 15.955 -11.478 1   33.041 ? 36  LYS A C    1 ? 1 
ATOM   475  O  O    . LYS A 1 36  ? -23.029 14.812 -11.136 1   32.675 ? 36  LYS A O    1 ? 1 
ATOM   476  C  CB   . LYS A 1 36  ? -24.282 17.991 -11.138 1   36.233 ? 36  LYS A CB   1 ? 1 
ATOM   477  C  CG   . LYS A 1 36  ? -25.599 17.281 -11.442 1   42.379 ? 36  LYS A CG   1 ? 1 
ATOM   478  C  CD   . LYS A 1 36  ? -26.543 17.292 -10.254 1   51.912 ? 36  LYS A CD   1 ? 1 
ATOM   479  C  CE   . LYS A 1 36  ? -27.944 17.37  -10.783 1   61.332 ? 36  LYS A CE   1 ? 1 
ATOM   480  N  NZ   . LYS A 1 36  ? -28.914 17.018 -9.749  1   69.046 ? 36  LYS A NZ   1 ? 1 
ATOM   481  H  H    . LYS A 1 36  ? -22.128 18.92  -10.722 1   33.961 ? 36  LYS A H    1 c 1 
ATOM   482  H  HA   . LYS A 1 36  ? -23.377 16.803 -9.683  1   35.249 ? 36  LYS A HA   1 c 1 
ATOM   483  H  HB2  . LYS A 1 36  ? -24.464 18.711 -10.497 1   36.254 ? 36  LYS A HB2  1 c 1 
ATOM   484  H  HB3  . LYS A 1 36  ? -23.973 18.413 -11.967 1   36.355 ? 36  LYS A HB3  1 c 1 
ATOM   485  H  HG2  . LYS A 1 36  ? -26.029 17.728 -12.204 1   39.024 ? 36  LYS A HG2  1 c 1 
ATOM   486  H  HG3  . LYS A 1 36  ? -25.411 16.353 -11.698 1   38.412 ? 36  LYS A HG3  1 c 1 
ATOM   487  H  HD2  . LYS A 1 36  ? -26.431 16.477 -9.723  1   38.855 ? 36  LYS A HD2  1 c 1 
ATOM   488  H  HD3  . LYS A 1 36  ? -26.364 18.072 -9.686  1   38.403 ? 36  LYS A HD3  1 c 1 
ATOM   489  H  HE2  . LYS A 1 36  ? -28.126 18.275 -11.094 1   41.344 ? 36  LYS A HE2  1 c 1 
ATOM   490  H  HE3  . LYS A 1 36  ? -28.049 16.76  -11.535 1   41.729 ? 36  LYS A HE3  1 c 1 
ATOM   491  H  HZ1  . LYS A 1 36  ? -28.64  17.344 -8.946  1   41.583 ? 36  LYS A HZ1  1 c 1 
ATOM   492  H  HZ2  . LYS A 1 36  ? -28.989 16.119 -9.685  1   42.62  ? 36  LYS A HZ2  1 c 1 
ATOM   493  H  HZ3  . LYS A 1 36  ? -29.728 17.351 -9.98   1   43.615 ? 36  LYS A HZ3  1 c 1 
ATOM   494  N  N    . GLU A 1 37  ? -22.145 16.249 -12.627 1   34.94  ? 37  GLU A N    1 ? 1 
ATOM   495  C  CA   . GLU A 1 37  ? -21.808 15.244 -13.626 1   35.859 ? 37  GLU A CA   1 ? 1 
ATOM   496  C  C    . GLU A 1 37  ? -20.863 14.209 -13.004 1   34.463 ? 37  GLU A C    1 ? 1 
ATOM   497  O  O    . GLU A 1 37  ? -21.066 13.008 -13.186 1   35.04  ? 37  GLU A O    1 ? 1 
ATOM   498  C  CB   . GLU A 1 37  ? -21.305 15.942 -14.9   1   38.209 ? 37  GLU A CB   1 ? 1 
ATOM   499  C  CG   . GLU A 1 37  ? -22.424 16.668 -15.661 1   42.12  ? 37  GLU A CG   1 ? 1 
ATOM   500  C  CD   . GLU A 1 37  ? -22.149 17.578 -16.866 1   42.886 ? 37  GLU A CD   1 ? 1 
ATOM   501  O  OE1  . GLU A 1 37  ? -20.956 17.954 -16.985 1   39.468 ? 37  GLU A OE1  1 ? 1 
ATOM   502  O  OE2  . GLU A 1 37  ? -23.104 17.895 -17.703 1   40.558 ? 37  GLU A OE2  1 ? 1 
ATOM   503  H  H    . GLU A 1 37  ? -21.928 17.12  -12.799 1   35.173 ? 37  GLU A H    1 c 1 
ATOM   504  H  HA   . GLU A 1 37  ? -22.645 14.774 -13.869 1   37.559 ? 37  GLU A HA   1 c 1 
ATOM   505  H  HB2  . GLU A 1 37  ? -20.609 16.587 -14.655 1   35.567 ? 37  GLU A HB2  1 c 1 
ATOM   506  H  HB3  . GLU A 1 37  ? -20.898 15.272 -15.488 1   37.097 ? 37  GLU A HB3  1 c 1 
ATOM   507  H  HG2  . GLU A 1 37  ? -23.046 15.99  -15.965 1   38.879 ? 37  GLU A HG2  1 c 1 
ATOM   508  H  HG3  . GLU A 1 37  ? -22.923 17.203 -15.009 1   37.477 ? 37  GLU A HG3  1 c 1 
ATOM   509  N  N    . VAL A 1 38  ? -19.869 14.672 -12.226 1   32.688 ? 38  VAL A N    1 ? 1 
ATOM   510  C  CA   . VAL A 1 38  ? -18.893 13.791 -11.587 1   32.897 ? 38  VAL A CA   1 ? 1 
ATOM   511  C  C    . VAL A 1 38  ? -19.514 12.924 -10.479 1   32.307 ? 38  VAL A C    1 ? 1 
ATOM   512  O  O    . VAL A 1 38  ? -19.176 11.746 -10.333 1   31.086 ? 38  VAL A O    1 ? 1 
ATOM   513  C  CB   . VAL A 1 38  ? -17.749 14.66  -11.024 1   33.96  ? 38  VAL A CB   1 ? 1 
ATOM   514  C  CG1  . VAL A 1 38  ? -16.831 13.875 -10.108 1   33.603 ? 38  VAL A CG1  1 ? 1 
ATOM   515  C  CG2  . VAL A 1 38  ? -16.941 15.336 -12.133 1   33.615 ? 38  VAL A CG2  1 ? 1 
ATOM   516  H  H    . VAL A 1 38  ? -19.797 15.573 -12.092 1   33.926 ? 38  VAL A H    1 c 1 
ATOM   517  H  HA   . VAL A 1 38  ? -18.523 13.2   -12.27  1   34.893 ? 38  VAL A HA   1 c 1 
ATOM   518  H  HB   . VAL A 1 38  ? -18.166 15.372 -10.484 1   32.46  ? 38  VAL A HB   1 c 1 
ATOM   519  H  HG11 . VAL A 1 38  ? -16.529 13.07  -10.563 1   33.471 ? 38  VAL A HG11 1 c 1 
ATOM   520  H  HG12 . VAL A 1 38  ? -17.307 13.63  -9.297  1   32.781 ? 38  VAL A HG12 1 c 1 
ATOM   521  H  HG13 . VAL A 1 38  ? -16.06  14.422 -9.876  1   32.145 ? 38  VAL A HG13 1 c 1 
ATOM   522  H  HG21 . VAL A 1 38  ? -16.249 15.892 -11.738 1   32.121 ? 38  VAL A HG21 1 c 1 
ATOM   523  H  HG22 . VAL A 1 38  ? -17.527 15.887 -12.676 1   32.998 ? 38  VAL A HG22 1 c 1 
ATOM   524  H  HG23 . VAL A 1 38  ? -16.527 14.657 -12.693 1   33.433 ? 38  VAL A HG23 1 c 1 
ATOM   525  N  N    . THR A 1 39  ? -20.374 13.519 -9.644  1   32.039 ? 39  THR A N    1 ? 1 
ATOM   526  C  CA   . THR A 1 39  ? -20.783 12.885 -8.391  1   31.698 ? 39  THR A CA   1 ? 1 
ATOM   527  C  C    . THR A 1 39  ? -22.125 12.15  -8.508  1   33.38  ? 39  THR A C    1 ? 1 
ATOM   528  O  O    . THR A 1 39  ? -22.449 11.326 -7.646  1   30.717 ? 39  THR A O    1 ? 1 
ATOM   529  C  CB   . THR A 1 39  ? -20.828 13.907 -7.256  1   30.269 ? 39  THR A CB   1 ? 1 
ATOM   530  O  OG1  . THR A 1 39  ? -21.834 14.896 -7.469  1   27.91  ? 39  THR A OG1  1 ? 1 
ATOM   531  C  CG2  . THR A 1 39  ? -19.466 14.528 -7.021  1   29.71  ? 39  THR A CG2  1 ? 1 
ATOM   532  H  H    . THR A 1 39  ? -20.713 14.341 -9.854  1   34.191 ? 39  THR A H    1 c 1 
ATOM   533  H  HA   . THR A 1 39  ? -20.099 12.22  -8.159  1   34.723 ? 39  THR A HA   1 c 1 
ATOM   534  H  HB   . THR A 1 39  ? -21.056 13.417 -6.43   1   34.209 ? 39  THR A HB   1 c 1 
ATOM   535  H  HG1  . THR A 1 39  ? -21.675 15.319 -8.206  0   30     ? 39  THR A HG1  1 c 1 
ATOM   536  H  HG21 . THR A 1 39  ? -19.515 15.144 -6.27   1   32.306 ? 39  THR A HG21 1 c 1 
ATOM   537  H  HG22 . THR A 1 39  ? -19.186 15.012 -7.817  1   32.364 ? 39  THR A HG22 1 c 1 
ATOM   538  H  HG23 . THR A 1 39  ? -18.82  13.829 -6.824  1   32.695 ? 39  THR A HG23 1 c 1 
ATOM   539  N  N    . MET A 1 40  ? -22.911 12.442 -9.551  1   34.079 ? 40  MET A N    1 ? 1 
ATOM   540  C  CA   . MET A 1 40  ? -24.255 11.879 -9.658  1   36.842 ? 40  MET A CA   1 ? 1 
ATOM   541  C  C    . MET A 1 40  ? -24.227 10.359 -9.47   1   37.091 ? 40  MET A C    1 ? 1 
ATOM   542  O  O    . MET A 1 40  ? -23.388 9.677  -10.039 1   36.504 ? 40  MET A O    1 ? 1 
ATOM   543  C  CB   . MET A 1 40  ? -24.879 12.179 -11.025 1   39.378 ? 40  MET A CB   1 ? 1 
ATOM   544  C  CG   . MET A 1 40  ? -26.328 11.724 -11.177 1   43.587 ? 40  MET A CG   1 ? 1 
ATOM   545  S  SD   . MET A 1 40  ? -27.441 12.329 -9.894  1   50.665 ? 40  MET A SD   1 ? 1 
ATOM   546  C  CE   . MET A 1 40  ? -27.515 14.111 -9.907  1   49.403 ? 40  MET A CE   1 ? 1 
ATOM   547  H  H    . MET A 1 40  ? -22.611 13.001 -10.208 1   36.642 ? 40  MET A H    1 c 1 
ATOM   548  H  HA   . MET A 1 40  ? -24.812 12.279 -8.944  1   38.818 ? 40  MET A HA   1 c 1 
ATOM   549  H  HB2  . MET A 1 40  ? -24.837 13.145 -11.181 1   39.156 ? 40  MET A HB2  1 c 1 
ATOM   550  H  HB3  . MET A 1 40  ? -24.337 11.743 -11.717 1   39.961 ? 40  MET A HB3  1 c 1 
ATOM   551  H  HG2  . MET A 1 40  ? -26.666 12.024 -12.042 1   42.594 ? 40  MET A HG2  1 c 1 
ATOM   552  H  HG3  . MET A 1 40  ? -26.357 10.746 -11.175 1   42.783 ? 40  MET A HG3  1 c 1 
ATOM   553  H  HE1  . MET A 1 40  ? -28.059 14.415 -9.157  1   41.713 ? 40  MET A HE1  1 c 1 
ATOM   554  H  HE2  . MET A 1 40  ? -26.613 14.469 -9.823  1   39.924 ? 40  MET A HE2  1 c 1 
ATOM   555  H  HE3  . MET A 1 40  ? -27.91  14.413 -10.747 1   42.089 ? 40  MET A HE3  1 c 1 
ATOM   556  N  N    . GLY A 1 41  ? -25.158 9.835  -8.663  1   37.782 ? 41  GLY A N    1 ? 1 
ATOM   557  C  CA   . GLY A 1 41  ? -25.295 8.399  -8.48   1   39.767 ? 41  GLY A CA   1 ? 1 
ATOM   558  C  C    . GLY A 1 41  ? -24.305 7.82   -7.466  1   40.412 ? 41  GLY A C    1 ? 1 
ATOM   559  O  O    . GLY A 1 41  ? -24.362 6.633  -7.193  1   42.127 ? 41  GLY A O    1 ? 1 
ATOM   560  H  H    . GLY A 1 41  ? -25.727 10.391 -8.214  1   41.122 ? 41  GLY A H    1 c 1 
ATOM   561  H  HA2  . GLY A 1 41  ? -26.214 8.206  -8.179  1   43.824 ? 41  GLY A HA2  1 c 1 
ATOM   562  H  HA3  . GLY A 1 41  ? -25.167 7.952  -9.35   1   43.383 ? 41  GLY A HA3  1 c 1 
ATOM   563  N  N    . HIS A 1 42  ? -23.404 8.614  -6.883  1   36.422 ? 42  HIS A N    1 ? 1 
ATOM   564  C  CA   . HIS A 1 42  ? -22.426 8.053  -5.956  1   36.377 ? 42  HIS A CA   1 ? 1 
ATOM   565  C  C    . HIS A 1 42  ? -22.662 8.544  -4.532  1   34.889 ? 42  HIS A C    1 ? 1 
ATOM   566  O  O    . HIS A 1 42  ? -23.447 9.452  -4.313  1   35.63  ? 42  HIS A O    1 ? 1 
ATOM   567  C  CB   . HIS A 1 42  ? -20.989 8.423  -6.35   1   37.708 ? 42  HIS A CB   1 ? 1 
ATOM   568  C  CG   . HIS A 1 42  ? -20.589 7.841  -7.659  1   41.296 ? 42  HIS A CG   1 ? 1 
ATOM   569  N  ND1  . HIS A 1 42  ? -20.432 6.483  -7.861  1   43.78  ? 42  HIS A ND1  1 ? 1 
ATOM   570  C  CD2  . HIS A 1 42  ? -20.393 8.432  -8.851  1   41.678 ? 42  HIS A CD2  1 ? 1 
ATOM   571  C  CE1  . HIS A 1 42  ? -20.125 6.273  -9.132  1   44.268 ? 42  HIS A CE1  1 ? 1 
ATOM   572  N  NE2  . HIS A 1 42  ? -20.1   7.445  -9.751  1   43.699 ? 42  HIS A NE2  1 ? 1 
ATOM   573  H  H    . HIS A 1 42  ? -23.398 9.512  -7.049  1   39.264 ? 42  HIS A H    1 c 1 
ATOM   574  H  HA   . HIS A 1 42  ? -22.507 7.068  -5.96   1   40.992 ? 42  HIS A HA   1 c 1 
ATOM   575  H  HB2  . HIS A 1 42  ? -20.915 9.401  -6.398  1   37.364 ? 42  HIS A HB2  1 c 1 
ATOM   576  H  HB3  . HIS A 1 42  ? -20.374 8.101  -5.656  1   38.332 ? 42  HIS A HB3  1 c 1 
ATOM   577  H  HD1  . HIS A 1 42  ? -20.519 5.862  -7.245  0   30     ? 42  HIS A HD1  1 c 1 
ATOM   578  H  HD2  . HIS A 1 42  ? -20.441 9.349  -9.037  1   37.836 ? 42  HIS A HD2  1 c 1 
ATOM   579  H  HE1  . HIS A 1 42  ? -19.948 5.435  -9.525  1   42.73  ? 42  HIS A HE1  1 c 1 
ATOM   580  H  HE2  . HIS A 1 42  ? -19.918 7.572  -10.598 0   30     ? 42  HIS A HE2  1 c 1 
ATOM   581  N  N    . THR A 1 43  ? -21.93  7.968  -3.566  1   36.04  ? 43  THR A N    1 ? 1 
ATOM   582  C  CA   . THR A 1 43  ? -21.809 8.565  -2.242  1   35.607 ? 43  THR A CA   1 ? 1 
ATOM   583  C  C    . THR A 1 43  ? -21.002 9.862  -2.333  1   33.944 ? 43  THR A C    1 ? 1 
ATOM   584  O  O    . THR A 1 43  ? -19.996 9.925  -3.044  1   34.334 ? 43  THR A O    1 ? 1 
ATOM   585  C  CB   . THR A 1 43  ? -21.139 7.6    -1.265  1   38.035 ? 43  THR A CB   1 ? 1 
ATOM   586  O  OG1  . THR A 1 43  ? -21.722 6.337  -1.524  1   40.549 ? 43  THR A OG1  1 ? 1 
ATOM   587  C  CG2  . THR A 1 43  ? -21.323 8.003  0.19    1   39.173 ? 43  THR A CG2  1 ? 1 
ATOM   588  H  H    . THR A 1 43  ? -21.496 7.183  -3.738  1   39.988 ? 43  THR A H    1 c 1 
ATOM   589  H  HA   . THR A 1 43  ? -22.708 8.769  -1.913  1   39.4   ? 43  THR A HA   1 c 1 
ATOM   590  H  HB   . THR A 1 43  ? -20.173 7.556  -1.461  1   39.069 ? 43  THR A HB   1 c 1 
ATOM   591  H  HG1  . THR A 1 43  ? -22.576 6.379  -1.395  0   30     ? 43  THR A HG1  1 c 1 
ATOM   592  H  HG21 . THR A 1 43  ? -20.867 7.364  0.764   1   40.381 ? 43  THR A HG21 1 c 1 
ATOM   593  H  HG22 . THR A 1 43  ? -22.27  8.013  0.407   1   40.503 ? 43  THR A HG22 1 c 1 
ATOM   594  H  HG23 . THR A 1 43  ? -20.948 8.889  0.333   1   38.711 ? 43  THR A HG23 1 c 1 
ATOM   595  N  N    . VAL A 1 44  ? -21.445 10.865 -1.565  1   32.62  ? 44  VAL A N    1 ? 1 
ATOM   596  C  CA   . VAL A 1 44  ? -20.711 12.106 -1.374  1   32.065 ? 44  VAL A CA   1 ? 1 
ATOM   597  C  C    . VAL A 1 44  ? -20.461 12.315 0.123   1   33.004 ? 44  VAL A C    1 ? 1 
ATOM   598  O  O    . VAL A 1 44  ? -21.388 12.355 0.943   1   34.753 ? 44  VAL A O    1 ? 1 
ATOM   599  C  CB   . VAL A 1 44  ? -21.404 13.307 -2.049  1   30.387 ? 44  VAL A CB   1 ? 1 
ATOM   600  C  CG1  . VAL A 1 44  ? -21.457 13.098 -3.546  1   30.962 ? 44  VAL A CG1  1 ? 1 
ATOM   601  C  CG2  . VAL A 1 44  ? -22.814 13.572 -1.523  1   32.885 ? 44  VAL A CG2  1 ? 1 
ATOM   602  H  H    . VAL A 1 44  ? -22.245 10.767 -1.135  1   37.5   ? 44  VAL A H    1 c 1 
ATOM   603  H  HA   . VAL A 1 44  ? -19.846 11.998 -1.805  1   34.809 ? 44  VAL A HA   1 c 1 
ATOM   604  H  HB   . VAL A 1 44  ? -20.852 14.104 -1.869  1   43.977 ? 44  VAL A HB   1 c 1 
ATOM   605  H  HG11 . VAL A 1 44  ? -21.976 12.3   -3.745  1   35.637 ? 44  VAL A HG11 1 c 1 
ATOM   606  H  HG12 . VAL A 1 44  ? -20.554 12.99  -3.891  1   34.173 ? 44  VAL A HG12 1 c 1 
ATOM   607  H  HG13 . VAL A 1 44  ? -21.873 13.868 -3.967  1   34.606 ? 44  VAL A HG13 1 c 1 
ATOM   608  H  HG21 . VAL A 1 44  ? -23.224 14.286 -2.04   1   35.977 ? 44  VAL A HG21 1 c 1 
ATOM   609  H  HG22 . VAL A 1 44  ? -22.771 13.835 -0.589  1   36.272 ? 44  VAL A HG22 1 c 1 
ATOM   610  H  HG23 . VAL A 1 44  ? -23.35  12.765 -1.607  1   36.974 ? 44  VAL A HG23 1 c 1 
ATOM   611  N  N    . ILE A 1 45  ? -19.166 12.398 0.458   1   30.858 ? 45  ILE A N    1 ? 1 
ATOM   612  C  CA   . ILE A 1 45  ? -18.662 12.499 1.825   1   32.01  ? 45  ILE A CA   1 ? 1 
ATOM   613  C  C    . ILE A 1 45  ? -18.203 13.947 2.048   1   30.17  ? 45  ILE A C    1 ? 1 
ATOM   614  O  O    . ILE A 1 45  ? -17.414 14.48  1.276   1   28.517 ? 45  ILE A O    1 ? 1 
ATOM   615  C  CB   . ILE A 1 45  ? -17.529 11.468 2.05    1   33.695 ? 45  ILE A CB   1 ? 1 
ATOM   616  C  CG1  . ILE A 1 45  ? -18.03  10.014 1.841   1   34.849 ? 45  ILE A CG1  1 ? 1 
ATOM   617  C  CG2  . ILE A 1 45  ? -16.838 11.637 3.416   1   35.059 ? 45  ILE A CG2  1 ? 1 
ATOM   618  C  CD1  . ILE A 1 45  ? -16.925 8.975  1.726   1   35.925 ? 45  ILE A CD1  1 ? 1 
ATOM   619  H  H    . ILE A 1 45  ? -18.55  12.394 -0.217  1   34.469 ? 45  ILE A H    1 c 1 
ATOM   620  H  HA   . ILE A 1 45  ? -19.39  12.298 2.442   1   36.317 ? 45  ILE A HA   1 c 1 
ATOM   621  H  HB   . ILE A 1 45  ? -16.852 11.636 1.364   1   35.184 ? 45  ILE A HB   1 c 1 
ATOM   622  H  HG12 . ILE A 1 45  ? -18.609 9.773  2.593   1   37.877 ? 45  ILE A HG12 1 c 1 
ATOM   623  H  HG13 . ILE A 1 45  ? -18.573 9.983  1.027   1   36.833 ? 45  ILE A HG13 1 c 1 
ATOM   624  H  HG21 . ILE A 1 45  ? -16.15  10.959 3.52    1   36.886 ? 45  ILE A HG21 1 c 1 
ATOM   625  H  HG22 . ILE A 1 45  ? -17.494 11.54  4.127   1   37.22  ? 45  ILE A HG22 1 c 1 
ATOM   626  H  HG23 . ILE A 1 45  ? -16.431 12.517 3.471   1   35.859 ? 45  ILE A HG23 1 c 1 
ATOM   627  H  HD11 . ILE A 1 45  ? -16.325 9.218  0.996   1   36.913 ? 45  ILE A HD11 1 c 1 
ATOM   628  H  HD12 . ILE A 1 45  ? -17.32  8.101  1.543   1   38.479 ? 45  ILE A HD12 1 c 1 
ATOM   629  H  HD13 . ILE A 1 45  ? -16.42  8.933  2.56    1   38.026 ? 45  ILE A HD13 1 c 1 
ATOM   630  N  N    . MET A 1 46  ? -18.695 14.58  3.115   1   30.822 ? 46  MET A N    1 ? 1 
ATOM   631  C  CA   . MET A 1 46  ? -18.33  15.955 3.401   1   30.719 ? 46  MET A CA   1 ? 1 
ATOM   632  C  C    . MET A 1 46  ? -18.079 16.143 4.891   1   34.596 ? 46  MET A C    1 ? 1 
ATOM   633  O  O    . MET A 1 46  ? -18.64  15.427 5.727   1   36.561 ? 46  MET A O    1 ? 1 
ATOM   634  C  CB   . MET A 1 46  ? -19.424 16.913 2.915   1   30.165 ? 46  MET A CB   1 ? 1 
ATOM   635  C  CG   . MET A 1 46  ? -20.685 16.902 3.702   1   34.04  ? 46  MET A CG   1 ? 1 
ATOM   636  S  SD   . MET A 1 46  ? -22.085 17.581 2.78    1   34.112 ? 46  MET A SD   1 ? 1 
ATOM   637  C  CE   . MET A 1 46  ? -22.6   16.095 1.912   1   31.235 ? 46  MET A CE   1 ? 1 
ATOM   638  H  H    . MET A 1 46  ? -19.27  14.146 3.678   1   36.224 ? 46  MET A H    1 c 1 
ATOM   639  H  HA   . MET A 1 46  ? -17.491 16.153 2.921   1   34.256 ? 46  MET A HA   1 c 1 
ATOM   640  H  HB2  . MET A 1 46  ? -19.06  17.824 2.923   1   34.731 ? 46  MET A HB2  1 c 1 
ATOM   641  H  HB3  . MET A 1 46  ? -19.636 16.69  1.984   1   34.493 ? 46  MET A HB3  1 c 1 
ATOM   642  H  HG2  . MET A 1 46  ? -20.895 15.983 3.964   1   36.921 ? 46  MET A HG2  1 c 1 
ATOM   643  H  HG3  . MET A 1 46  ? -20.563 17.426 4.518   1   37.009 ? 46  MET A HG3  1 c 1 
ATOM   644  H  HE1  . MET A 1 46  ? -23.344 16.307 1.318   1   46.8   ? 46  MET A HE1  1 c 1 
ATOM   645  H  HE2  . MET A 1 46  ? -21.854 15.748 1.39    1   45.632 ? 46  MET A HE2  1 c 1 
ATOM   646  H  HE3  . MET A 1 46  ? -22.884 15.423 2.559   1   47.359 ? 46  MET A HE3  1 c 1 
ATOM   647  N  N    . GLY A 1 47  ? -17.232 17.137 5.191   1   35.229 ? 47  GLY A N    1 ? 1 
ATOM   648  C  CA   . GLY A 1 47  ? -17.058 17.635 6.543   1   36.858 ? 47  GLY A CA   1 ? 1 
ATOM   649  C  C    . GLY A 1 47  ? -18.327 18.306 7.066   1   35.806 ? 47  GLY A C    1 ? 1 
ATOM   650  O  O    . GLY A 1 47  ? -19.198 18.728 6.312   1   36.336 ? 47  GLY A O    1 ? 1 
ATOM   651  H  H    . GLY A 1 47  ? -16.741 17.519 4.522   1   35.127 ? 47  GLY A H    1 c 1 
ATOM   652  H  HA2  . GLY A 1 47  ? -16.817 16.883 7.134   1   37.838 ? 47  GLY A HA2  1 c 1 
ATOM   653  H  HA3  . GLY A 1 47  ? -16.315 18.281 6.554   1   37.018 ? 47  GLY A HA3  1 c 1 
ATOM   654  N  N    . ARG A 1 48  ? -18.435 18.39  8.384   1   36.763 ? 48  ARG A N    1 ? 1 
ATOM   655  C  CA   . ARG A 1 48  ? -19.631 18.951 8.987   1   39.338 ? 48  ARG A CA   1 ? 1 
ATOM   656  C  C    . ARG A 1 48  ? -19.865 20.403 8.544   1   39.136 ? 48  ARG A C    1 ? 1 
ATOM   657  O  O    . ARG A 1 48  ? -21.007 20.813 8.315   1   39.777 ? 48  ARG A O    1 ? 1 
ATOM   658  C  CB   . ARG A 1 48  ? -19.561 18.67  10.493  1   41.223 ? 48  ARG A CB   1 ? 1 
ATOM   659  C  CG   . ARG A 1 48  ? -20.826 19.05  11.252  1   44.396 ? 48  ARG A CG   1 ? 1 
ATOM   660  C  CD   . ARG A 1 48  ? -20.849 20.527 11.634  1   47.929 ? 48  ARG A CD   1 ? 1 
ATOM   661  N  NE   . ARG A 1 48  ? -19.749 20.79  12.57   1   52.067 ? 48  ARG A NE   1 ? 1 
ATOM   662  C  CZ   . ARG A 1 48  ? -19.36  21.988 12.981  1   54.995 ? 48  ARG A CZ   1 ? 1 
ATOM   663  N  NH1  . ARG A 1 48  ? -19.912 23.087 12.48   1   57.348 ? 48  ARG A NH1  1 ? 1 
ATOM   664  N  NH2  . ARG A 1 48  ? -18.402 22.082 13.89   1   56.1   ? 48  ARG A NH2  1 ? 1 
ATOM   665  H  H    . ARG A 1 48  ? -17.755 18.098 8.921   1   40.291 ? 48  ARG A H    1 c 1 
ATOM   666  H  HA   . ARG A 1 48  ? -20.399 18.426 8.653   1   41.422 ? 48  ARG A HA   1 c 1 
ATOM   667  H  HB2  . ARG A 1 48  ? -19.389 17.714 10.627  1   43.364 ? 48  ARG A HB2  1 c 1 
ATOM   668  H  HB3  . ARG A 1 48  ? -18.803 19.165 10.868  1   43.61  ? 48  ARG A HB3  1 c 1 
ATOM   669  H  HG2  . ARG A 1 48  ? -21.61  18.852 10.694  1   45.174 ? 48  ARG A HG2  1 c 1 
ATOM   670  H  HG3  . ARG A 1 48  ? -20.89  18.507 12.068  1   46.6   ? 48  ARG A HG3  1 c 1 
ATOM   671  H  HD2  . ARG A 1 48  ? -20.745 21.087 10.841  1   45.444 ? 48  ARG A HD2  1 c 1 
ATOM   672  H  HD3  . ARG A 1 48  ? -21.701 20.749 12.061  1   47.948 ? 48  ARG A HD3  1 c 1 
ATOM   673  H  HE   . ARG A 1 48  ? -19.325 20.105 12.892  1   47.328 ? 48  ARG A HE   1 c 1 
ATOM   674  H  HH11 . ARG A 1 48  ? -20.495 23.039 11.82   1   47.823 ? 48  ARG A HH11 1 c 1 
ATOM   675  H  HH12 . ARG A 1 48  ? -19.69  23.877 12.811  1   49.466 ? 48  ARG A HH12 1 c 1 
ATOM   676  H  HH21 . ARG A 1 48  ? -17.97  21.362 14.158  1   49.308 ? 48  ARG A HH21 1 c 1 
ATOM   677  H  HH22 . ARG A 1 48  ? -18.195 22.872 14.229  1   50.389 ? 48  ARG A HH22 1 c 1 
ATOM   678  N  N    . ARG A 1 49  ? -18.815 21.21  8.394   1   39.422 ? 49  ARG A N    1 ? 1 
ATOM   679  C  CA   . ARG A 1 49  ? -19.061 22.606 8.063   1   42.345 ? 49  ARG A CA   1 ? 1 
ATOM   680  C  C    . ARG A 1 49  ? -19.532 22.777 6.623   1   40.871 ? 49  ARG A C    1 ? 1 
ATOM   681  O  O    . ARG A 1 49  ? -20.276 23.712 6.335   1   41.623 ? 49  ARG A O    1 ? 1 
ATOM   682  C  CB   . ARG A 1 49  ? -17.834 23.499 8.195   1   43.304 ? 49  ARG A CB   1 ? 1 
ATOM   683  C  CG   . ARG A 1 49  ? -17.361 23.538 9.624   1   49.614 ? 49  ARG A CG   1 ? 1 
ATOM   684  C  CD   . ARG A 1 49  ? -16.349 24.643 9.66    1   52.274 ? 49  ARG A CD   1 ? 1 
ATOM   685  N  NE   . ARG A 1 49  ? -15.845 24.579 11.025  1   58.33  ? 49  ARG A NE   1 ? 1 
ATOM   686  C  CZ   . ARG A 1 49  ? -14.589 24.367 11.37   1   63.727 ? 49  ARG A CZ   1 ? 1 
ATOM   687  N  NH1  . ARG A 1 49  ? -13.594 24.715 10.56   1   65.613 ? 49  ARG A NH1  1 ? 1 
ATOM   688  N  NH2  . ARG A 1 49  ? -14.345 23.887 12.578  1   67.706 ? 49  ARG A NH2  1 ? 1 
ATOM   689  H  H    . ARG A 1 49  ? -17.959 20.906 8.499   1   40.409 ? 49  ARG A H    1 c 1 
ATOM   690  H  HA   . ARG A 1 49  ? -19.765 22.952 8.67    1   42.591 ? 49  ARG A HA   1 c 1 
ATOM   691  H  HB2  . ARG A 1 49  ? -17.115 23.155 7.623   1   39.906 ? 49  ARG A HB2  1 c 1 
ATOM   692  H  HB3  . ARG A 1 49  ? -18.056 24.408 7.899   1   41.45  ? 49  ARG A HB3  1 c 1 
ATOM   693  H  HG2  . ARG A 1 49  ? -18.107 23.743 10.229  1   44.296 ? 49  ARG A HG2  1 c 1 
ATOM   694  H  HG3  . ARG A 1 49  ? -16.94  22.686 9.871   1   42.631 ? 49  ARG A HG3  1 c 1 
ATOM   695  H  HD2  . ARG A 1 49  ? -15.628 24.486 9.019   1   42.074 ? 49  ARG A HD2  1 c 1 
ATOM   696  H  HD3  . ARG A 1 49  ? -16.758 25.517 9.492   1   43.877 ? 49  ARG A HD3  1 c 1 
ATOM   697  H  HE   . ARG A 1 49  ? -16.419 24.697 11.67   1   46.485 ? 49  ARG A HE   1 c 1 
ATOM   698  H  HH11 . ARG A 1 49  ? -13.757 25.038 9.755   1   43.201 ? 49  ARG A HH11 1 c 1 
ATOM   699  H  HH12 . ARG A 1 49  ? -12.76  24.635 10.838  1   44.548 ? 49  ARG A HH12 1 c 1 
ATOM   700  H  HH21 . ARG A 1 49  ? -15.014 23.621 13.094  1   47.753 ? 49  ARG A HH21 1 c 1 
ATOM   701  H  HH22 . ARG A 1 49  ? -13.511 23.831 12.868  1   47.339 ? 49  ARG A HH22 1 c 1 
ATOM   702  N  N    . THR A 1 50  ? -19.033 21.93  5.712   1   38.735 ? 50  THR A N    1 ? 1 
ATOM   703  C  CA   . THR A 1 50  ? -19.49  21.975 4.326   1   38.002 ? 50  THR A CA   1 ? 1 
ATOM   704  C  C    . THR A 1 50  ? -20.995 21.692 4.275   1   39.415 ? 50  THR A C    1 ? 1 
ATOM   705  O  O    . THR A 1 50  ? -21.747 22.351 3.55    1   37.431 ? 50  THR A O    1 ? 1 
ATOM   706  C  CB   . THR A 1 50  ? -18.726 20.946 3.492   1   35.88  ? 50  THR A CB   1 ? 1 
ATOM   707  O  OG1  . THR A 1 50  ? -17.401 21.418 3.277   1   33.461 ? 50  THR A OG1  1 ? 1 
ATOM   708  C  CG2  . THR A 1 50  ? -19.38  20.706 2.148   1   35.33  ? 50  THR A CG2  1 ? 1 
ATOM   709  H  H    . THR A 1 50  ? -18.394 21.321 5.952   1   37.724 ? 50  THR A H    1 c 1 
ATOM   710  H  HA   . THR A 1 50  ? -19.317 22.872 3.965   1   36.858 ? 50  THR A HA   1 c 1 
ATOM   711  H  HB   . THR A 1 50  ? -18.689 20.09  3.982   1   35.587 ? 50  THR A HB   1 c 1 
ATOM   712  H  HG1  . THR A 1 50  ? -17.427 22.171 2.856   0   30     ? 50  THR A HG1  1 c 1 
ATOM   713  H  HG21 . THR A 1 50  ? -18.797 20.155 1.598   1   33.742 ? 50  THR A HG21 1 c 1 
ATOM   714  H  HG22 . THR A 1 50  ? -19.532 21.559 1.703   1   34.578 ? 50  THR A HG22 1 c 1 
ATOM   715  H  HG23 . THR A 1 50  ? -20.23  20.25  2.273   1   35.14  ? 50  THR A HG23 1 c 1 
ATOM   716  N  N    . TRP A 1 51  ? -21.412 20.659 5.021   1   39.174 ? 51  TRP A N    1 ? 1 
ATOM   717  C  CA   . TRP A 1 51  ? -22.819 20.309 5.122   1   39.139 ? 51  TRP A CA   1 ? 1 
ATOM   718  C  C    . TRP A 1 51  ? -23.637 21.551 5.474   1   42.253 ? 51  TRP A C    1 ? 1 
ATOM   719  O  O    . TRP A 1 51  ? -24.672 21.804 4.865   1   44.66  ? 51  TRP A O    1 ? 1 
ATOM   720  C  CB   . TRP A 1 51  ? -23.021 19.181 6.14    1   38.593 ? 51  TRP A CB   1 ? 1 
ATOM   721  C  CG   . TRP A 1 51  ? -24.468 18.952 6.486   1   42.321 ? 51  TRP A CG   1 ? 1 
ATOM   722  C  CD1  . TRP A 1 51  ? -25.138 19.498 7.541   1   46.785 ? 51  TRP A CD1  1 ? 1 
ATOM   723  C  CD2  . TRP A 1 51  ? -25.438 18.176 5.75    1   42.916 ? 51  TRP A CD2  1 ? 1 
ATOM   724  N  NE1  . TRP A 1 51  ? -26.447 19.081 7.544   1   48.016 ? 51  TRP A NE1  1 ? 1 
ATOM   725  C  CE2  . TRP A 1 51  ? -26.668 18.278 6.459   1   46.679 ? 51  TRP A CE2  1 ? 1 
ATOM   726  C  CE3  . TRP A 1 51  ? -25.399 17.409 4.58    1   39.498 ? 51  TRP A CE3  1 ? 1 
ATOM   727  C  CZ2  . TRP A 1 51  ? -27.836 17.646 6.029   1   46.332 ? 51  TRP A CZ2  1 ? 1 
ATOM   728  C  CZ3  . TRP A 1 51  ? -26.553 16.782 4.161   1   42.551 ? 51  TRP A CZ3  1 ? 1 
ATOM   729  C  CH2  . TRP A 1 51  ? -27.76  16.917 4.862   1   45.915 ? 51  TRP A CH2  1 ? 1 
ATOM   730  H  H    . TRP A 1 51  ? -20.799 20.154 5.474   1   38.393 ? 51  TRP A H    1 c 1 
ATOM   731  H  HA   . TRP A 1 51  ? -23.119 19.98  4.233   1   39.167 ? 51  TRP A HA   1 c 1 
ATOM   732  H  HB2  . TRP A 1 51  ? -22.646 18.354 5.769   1   39.923 ? 51  TRP A HB2  1 c 1 
ATOM   733  H  HB3  . TRP A 1 51  ? -22.528 19.404 6.958   1   41.27  ? 51  TRP A HB3  1 c 1 
ATOM   734  H  HD1  . TRP A 1 51  ? -24.752 20.046 8.205   1   45.264 ? 51  TRP A HD1  1 c 1 
ATOM   735  H  HE1  . TRP A 1 51  ? -27.046 19.305 8.139   1   47.883 ? 51  TRP A HE1  1 c 1 
ATOM   736  H  HE3  . TRP A 1 51  ? -24.599 17.319 4.095   1   40.284 ? 51  TRP A HE3  1 c 1 
ATOM   737  H  HZ2  . TRP A 1 51  ? -28.646 17.734 6.503   1   48.015 ? 51  TRP A HZ2  1 c 1 
ATOM   738  H  HZ3  . TRP A 1 51  ? -26.536 16.267 3.371   1   42.082 ? 51  TRP A HZ3  1 c 1 
ATOM   739  H  HH2  . TRP A 1 51  ? -28.526 16.468 4.55    1   45.858 ? 51  TRP A HH2  1 c 1 
ATOM   740  N  N    . GLU A 1 52  ? -23.137 22.335 6.441   1   44.189 ? 52  GLU A N    1 ? 1 
ATOM   741  C  CA   . GLU A 1 52  ? -23.782 23.558 6.907   1   46.303 ? 52  GLU A CA   1 ? 1 
ATOM   742  C  C    . GLU A 1 52  ? -23.728 24.688 5.866   1   46.787 ? 52  GLU A C    1 ? 1 
ATOM   743  O  O    . GLU A 1 52  ? -24.653 25.485 5.8     1   50.895 ? 52  GLU A O    1 ? 1 
ATOM   744  C  CB   . GLU A 1 52  ? -23.182 23.933 8.271   1   46.828 ? 52  GLU A CB   1 ? 1 
ATOM   745  C  CG   . GLU A 1 52  ? -23.646 23.024 9.41    1   47.647 ? 52  GLU A CG   1 ? 1 
ATOM   746  C  CD   . GLU A 1 52  ? -23.134 23.277 10.825  1   52.519 ? 52  GLU A CD   1 ? 1 
ATOM   747  O  OE1  . GLU A 1 52  ? -22.191 24.066 11.075  1   54.597 ? 52  GLU A OE1  1 ? 1 
ATOM   748  O  OE2  . GLU A 1 52  ? -23.742 22.667 11.73   1   54.781 ? 52  GLU A OE2  1 ? 1 
ATOM   749  H  H    . GLU A 1 52  ? -22.352 22.086 6.838   1   41.918 ? 52  GLU A H    1 c 1 
ATOM   750  H  HA   . GLU A 1 52  ? -24.737 23.347 7.064   1   45.456 ? 52  GLU A HA   1 c 1 
ATOM   751  H  HB2  . GLU A 1 52  ? -22.204 23.897 8.209   1   44.547 ? 52  GLU A HB2  1 c 1 
ATOM   752  H  HB3  . GLU A 1 52  ? -23.432 24.857 8.482   1   46.872 ? 52  GLU A HB3  1 c 1 
ATOM   753  H  HG2  . GLU A 1 52  ? -24.626 23.057 9.443   1   48.257 ? 52  GLU A HG2  1 c 1 
ATOM   754  H  HG3  . GLU A 1 52  ? -23.413 22.101 9.174   1   45.955 ? 52  GLU A HG3  1 c 1 
ATOM   755  N  N    A SER A 1 53  ? -22.639 24.753 5.097   0.5 43.693 ? 53  SER A N    1 ? 1 
ATOM   756  N  N    B SER A 1 53  ? -22.654 24.77  5.066   0.5 44.036 ? 53  SER A N    1 ? 1 
ATOM   757  C  CA   A SER A 1 53  ? -22.482 25.727 4.026   0.5 44.281 ? 53  SER A CA   1 ? 1 
ATOM   758  C  CA   B SER A 1 53  ? -22.516 25.779 4.016   0.5 44.441 ? 53  SER A CA   1 ? 1 
ATOM   759  C  C    A SER A 1 53  ? -23.564 25.589 2.955   0.5 43.915 ? 53  SER A C    1 ? 1 
ATOM   760  C  C    B SER A 1 53  ? -23.494 25.578 2.86    0.5 43.221 ? 53  SER A C    1 ? 1 
ATOM   761  O  O    A SER A 1 53  ? -23.966 26.575 2.346   0.5 45.965 ? 53  SER A O    1 ? 1 
ATOM   762  O  O    B SER A 1 53  ? -23.712 26.49  2.07    0.5 43.238 ? 53  SER A O    1 ? 1 
ATOM   763  C  CB   A SER A 1 53  ? -21.128 25.592 3.39    0.5 41.148 ? 53  SER A CB   1 ? 1 
ATOM   764  C  CB   B SER A 1 53  ? -21.122 25.788 3.445   0.5 42.709 ? 53  SER A CB   1 ? 1 
ATOM   765  O  OG   A SER A 1 53  ? -20.889 26.704 2.542   0.5 40.791 ? 53  SER A OG   1 ? 1 
ATOM   766  O  OG   B SER A 1 53  ? -20.161 26.047 4.454   0.5 44.552 ? 53  SER A OG   1 ? 1 
ATOM   767  H  H    A SER A 1 53  ? -21.953 24.17  5.254   0.5 40.947 ? 53  SER A H    1 c 1 
ATOM   768  H  H    B SER A 1 53  ? -21.97  24.176 5.187   0.5 40.896 ? 53  SER A H    1 c 1 
ATOM   769  H  HA   A SER A 1 53  ? -22.553 26.632 4.422   0.5 42.548 ? 53  SER A HA   1 c 1 
ATOM   770  H  HA   B SER A 1 53  ? -22.693 26.667 4.418   0.5 42.72  ? 53  SER A HA   1 c 1 
ATOM   771  H  HB2  A SER A 1 53  ? -20.443 25.554 4.084   0.5 39.412 ? 53  SER A HB2  1 c 1 
ATOM   772  H  HB2  B SER A 1 53  ? -20.936 24.923 3.033   0.5 38.356 ? 53  SER A HB2  1 c 1 
ATOM   773  H  HB3  A SER A 1 53  ? -21.091 24.769 2.869   0.5 38.235 ? 53  SER A HB3  1 c 1 
ATOM   774  H  HB3  B SER A 1 53  ? -21.061 26.475 2.754   0.5 39.376 ? 53  SER A HB3  1 c 1 
ATOM   775  H  HG   A SER A 1 53  ? -20.126 26.617 2.192   0   30     ? 53  SER A HG   1 c 1 
ATOM   776  H  HG   B SER A 1 53  ? -19.396 26.047 4.097   0   30     ? 53  SER A HG   1 c 1 
ATOM   777  N  N    . LEU A 1 54  ? -23.993 24.356 2.683   1   43.266 ? 54  LEU A N    1 ? 1 
ATOM   778  C  CA   . LEU A 1 54  ? -24.998 24.118 1.66    1   45.853 ? 54  LEU A CA   1 ? 1 
ATOM   779  C  C    . LEU A 1 54  ? -26.291 24.764 2.123   1   47.666 ? 54  LEU A C    1 ? 1 
ATOM   780  O  O    . LEU A 1 54  ? -26.662 24.568 3.276   1   47.608 ? 54  LEU A O    1 ? 1 
ATOM   781  C  CB   . LEU A 1 54  ? -25.285 22.645 1.425   1   42.897 ? 54  LEU A CB   1 ? 1 
ATOM   782  C  CG   . LEU A 1 54  ? -24.093 21.786 1.036   1   39.598 ? 54  LEU A CG   1 ? 1 
ATOM   783  C  CD1  . LEU A 1 54  ? -24.508 20.343 1.19    1   40.814 ? 54  LEU A CD1  1 ? 1 
ATOM   784  C  CD2  . LEU A 1 54  ? -23.62  22.088 -0.379  1   42.185 ? 54  LEU A CD2  1 ? 1 
ATOM   785  H  H    A LEU A 1 54  ? -23.655 23.647 3.15    0.5 40.27  ? 54  LEU A H    1 c 1 
ATOM   786  H  H    B LEU A 1 54  ? -23.706 23.661 3.203   0.5 40.382 ? 54  LEU A H    1 c 1 
ATOM   787  H  HA   . LEU A 1 54  ? -24.699 24.533 0.814   1   40.158 ? 54  LEU A HA   1 c 1 
ATOM   788  H  HB2  . LEU A 1 54  ? -25.68  22.275 2.248   1   41.208 ? 54  LEU A HB2  1 c 1 
ATOM   789  H  HB3  . LEU A 1 54  ? -25.963 22.574 0.714   1   40.601 ? 54  LEU A HB3  1 c 1 
ATOM   790  H  HG   . LEU A 1 54  ? -23.35  21.969 1.664   1   37.906 ? 54  LEU A HG   1 c 1 
ATOM   791  H  HD11 . LEU A 1 54  ? -24.734 20.166 2.119   1   39.197 ? 54  LEU A HD11 1 c 1 
ATOM   792  H  HD12 . LEU A 1 54  ? -23.776 19.764 0.921   1   37.218 ? 54  LEU A HD12 1 c 1 
ATOM   793  H  HD13 . LEU A 1 54  ? -25.283 20.166 0.631   1   38.838 ? 54  LEU A HD13 1 c 1 
ATOM   794  H  HD21 . LEU A 1 54  ? -23.351 23.02  -0.441  1   36.972 ? 54  LEU A HD21 1 c 1 
ATOM   795  H  HD22 . LEU A 1 54  ? -24.343 21.918 -1.007  1   37.307 ? 54  LEU A HD22 1 c 1 
ATOM   796  H  HD23 . LEU A 1 54  ? -22.863 21.518 -0.597  1   35.808 ? 54  LEU A HD23 1 c 1 
ATOM   797  N  N    . PRO A 1 55  ? -27.032 25.483 1.25    1   51.961 ? 55  PRO A N    1 ? 1 
ATOM   798  C  CA   . PRO A 1 55  ? -28.395 25.906 1.583   1   55.903 ? 55  PRO A CA   1 ? 1 
ATOM   799  C  C    . PRO A 1 55  ? -29.257 24.699 1.937   1   56.694 ? 55  PRO A C    1 ? 1 
ATOM   800  O  O    . PRO A 1 55  ? -29.111 23.649 1.305   1   56.336 ? 55  PRO A O    1 ? 1 
ATOM   801  C  CB   . PRO A 1 55  ? -28.874 26.615 0.309   1   59.613 ? 55  PRO A CB   1 ? 1 
ATOM   802  C  CG   . PRO A 1 55  ? -27.598 27.05  -0.364  1   54.985 ? 55  PRO A CG   1 ? 1 
ATOM   803  C  CD   . PRO A 1 55  ? -26.607 25.947 -0.079  1   52.521 ? 55  PRO A CD   1 ? 1 
ATOM   804  H  HA   . PRO A 1 55  ? -28.369 26.546 2.337   1   48.175 ? 55  PRO A HA   1 c 1 
ATOM   805  H  HB2  . PRO A 1 55  ? -29.384 25.999 -0.267  1   47.431 ? 55  PRO A HB2  1 c 1 
ATOM   806  H  HB3  . PRO A 1 55  ? -29.44  27.391 0.53    1   49.344 ? 55  PRO A HB3  1 c 1 
ATOM   807  H  HG2  . PRO A 1 55  ? -27.732 27.155 -1.329  1   45.063 ? 55  PRO A HG2  1 c 1 
ATOM   808  H  HG3  . PRO A 1 55  ? -27.284 27.902 0.004   1   45.929 ? 55  PRO A HG3  1 c 1 
ATOM   809  H  HD2  . PRO A 1 55  ? -26.672 25.229 -0.746  1   42.24  ? 55  PRO A HD2  1 c 1 
ATOM   810  H  HD3  . PRO A 1 55  ? -25.688 26.295 -0.059  1   42.122 ? 55  PRO A HD3  1 c 1 
ATOM   811  N  N    . ALA A 1 56  ? -30.141 24.884 2.931   1   58.346 ? 56  ALA A N    1 ? 1 
ATOM   812  C  CA   . ALA A 1 56  ? -30.997 23.85  3.514   1   60.11  ? 56  ALA A CA   1 ? 1 
ATOM   813  C  C    . ALA A 1 56  ? -31.867 23.134 2.474   1   61.012 ? 56  ALA A C    1 ? 1 
ATOM   814  O  O    . ALA A 1 56  ? -32.116 21.929 2.558   1   60.814 ? 56  ALA A O    1 ? 1 
ATOM   815  C  CB   . ALA A 1 56  ? -31.882 24.487 4.565   1   62.365 ? 56  ALA A CB   1 ? 1 
ATOM   816  H  H    . ALA A 1 56  ? -30.216 25.73  3.27    1   51.463 ? 56  ALA A H    1 c 1 
ATOM   817  H  HA   . ALA A 1 56  ? -30.413 23.172 3.949   1   50.507 ? 56  ALA A HA   1 c 1 
ATOM   818  H  HB1  . ALA A 1 56  ? -31.331 24.887 5.259   1   54.825 ? 56  ALA A HB1  1 c 1 
ATOM   819  H  HB2  . ALA A 1 56  ? -32.432 25.177 4.155   1   56.103 ? 56  ALA A HB2  1 c 1 
ATOM   820  H  HB3  . ALA A 1 56  ? -32.458 23.812 4.962   1   55.871 ? 56  ALA A HB3  1 c 1 
ATOM   821  N  N    . LYS A 1 57  ? -32.382 23.894 1.514   1   61.731 ? 57  LYS A N    1 ? 1 
ATOM   822  C  CA   . LYS A 1 57  ? -33.276 23.326 0.52    1   64.945 ? 57  LYS A CA   1 ? 1 
ATOM   823  C  C    . LYS A 1 57  ? -32.479 22.557 -0.54   1   61.658 ? 57  LYS A C    1 ? 1 
ATOM   824  O  O    . LYS A 1 57  ? -33.017 21.672 -1.179  1   61.105 ? 57  LYS A O    1 ? 1 
ATOM   825  C  CB   . LYS A 1 57  ? -34.18  24.441 -0.019  1   72.288 ? 57  LYS A CB   1 ? 1 
ATOM   826  C  CG   . LYS A 1 57  ? -33.428 25.722 -0.293  1   75.277 ? 57  LYS A CG   1 ? 1 
ATOM   827  C  CD   . LYS A 1 57  ? -34.147 26.726 -1.186  1   79.105 ? 57  LYS A CD   1 ? 1 
ATOM   828  C  CE   . LYS A 1 57  ? -33.214 27.801 -1.656  1   81.534 ? 57  LYS A CE   1 ? 1 
ATOM   829  N  NZ   . LYS A 1 57  ? -31.959 27.245 -2.184  1   80.685 ? 57  LYS A NZ   1 ? 1 
ATOM   830  H  H    . LYS A 1 57  ? -32.167 24.781 1.474   1   52.874 ? 57  LYS A H    1 c 1 
ATOM   831  H  HA   . LYS A 1 57  ? -33.867 22.677 0.98    1   54.614 ? 57  LYS A HA   1 c 1 
ATOM   832  H  HB2  . LYS A 1 57  ? -34.604 24.139 -0.85   1   56.049 ? 57  LYS A HB2  1 c 1 
ATOM   833  H  HB3  . LYS A 1 57  ? -34.889 24.624 0.634   1   57.989 ? 57  LYS A HB3  1 c 1 
ATOM   834  H  HG2  . LYS A 1 57  ? -33.237 26.158 0.566   1   55.588 ? 57  LYS A HG2  1 c 1 
ATOM   835  H  HG3  . LYS A 1 57  ? -32.569 25.487 -0.702  1   52.775 ? 57  LYS A HG3  1 c 1 
ATOM   836  H  HD2  . LYS A 1 57  ? -34.52  26.258 -1.965  1   56.974 ? 57  LYS A HD2  1 c 1 
ATOM   837  H  HD3  . LYS A 1 57  ? -34.886 27.135 -0.686  1   59.372 ? 57  LYS A HD3  1 c 1 
ATOM   838  H  HE2  . LYS A 1 57  ? -33.648 28.322 -2.355  1   56.864 ? 57  LYS A HE2  1 c 1 
ATOM   839  H  HE3  . LYS A 1 57  ? -33.009 28.399 -0.915  1   56.373 ? 57  LYS A HE3  1 c 1 
ATOM   840  H  HZ1  . LYS A 1 57  ? -32.122 26.484 -2.651  1   51.689 ? 57  LYS A HZ1  1 c 1 
ATOM   841  H  HZ2  . LYS A 1 57  ? -31.38  27.073 -1.508  1   51.324 ? 57  LYS A HZ2  1 c 1 
ATOM   842  H  HZ3  . LYS A 1 57  ? -31.578 27.851 -2.741  1   51.843 ? 57  LYS A HZ3  1 c 1 
ATOM   843  N  N    . VAL A 1 58  ? -31.185 22.844 -0.695  1   58.685 ? 58  VAL A N    1 ? 1 
ATOM   844  C  CA   . VAL A 1 58  ? -30.356 22.145 -1.662  1   59.261 ? 58  VAL A CA   1 ? 1 
ATOM   845  C  C    . VAL A 1 58  ? -29.844 20.832 -1.078  1   56.985 ? 58  VAL A C    1 ? 1 
ATOM   846  O  O    . VAL A 1 58  ? -29.251 20.031 -1.795  1   56.606 ? 58  VAL A O    1 ? 1 
ATOM   847  C  CB   . VAL A 1 58  ? -29.168 23.044 -2.049  1   63.301 ? 58  VAL A CB   1 ? 1 
ATOM   848  C  CG1  . VAL A 1 58  ? -28.175 22.338 -2.967  1   68.263 ? 58  VAL A CG1  1 ? 1 
ATOM   849  C  CG2  . VAL A 1 58  ? -29.632 24.356 -2.663  1   67.455 ? 58  VAL A CG2  1 ? 1 
ATOM   850  H  H    . VAL A 1 58  ? -30.807 23.502 -0.186  1   48.222 ? 58  VAL A H    1 c 1 
ATOM   851  H  HA   . VAL A 1 58  ? -30.885 21.956 -2.461  1   46.441 ? 58  VAL A HA   1 c 1 
ATOM   852  H  HB   . VAL A 1 58  ? -28.69  23.263 -1.216  1   43.832 ? 58  VAL A HB   1 c 1 
ATOM   853  H  HG11 . VAL A 1 58  ? -28.659 21.868 -3.67   1   42.169 ? 58  VAL A HG11 1 c 1 
ATOM   854  H  HG12 . VAL A 1 58  ? -27.648 21.701 -2.452  1   40.951 ? 58  VAL A HG12 1 c 1 
ATOM   855  H  HG13 . VAL A 1 58  ? -27.58  22.997 -3.368  1   41.052 ? 58  VAL A HG13 1 c 1 
ATOM   856  H  HG21 . VAL A 1 58  ? -28.86  24.906 -2.876  1   44.349 ? 58  VAL A HG21 1 c 1 
ATOM   857  H  HG22 . VAL A 1 58  ? -30.201 24.829 -2.034  1   46.99  ? 58  VAL A HG22 1 c 1 
ATOM   858  H  HG23 . VAL A 1 58  ? -30.133 24.174 -3.476  1   45.851 ? 58  VAL A HG23 1 c 1 
ATOM   859  N  N    . ARG A 1 59  ? -29.971 20.651 0.238   1   55.55  ? 59  ARG A N    1 ? 1 
ATOM   860  C  CA   . ARG A 1 59  ? -29.377 19.488 0.879   1   51.183 ? 59  ARG A CA   1 ? 1 
ATOM   861  C  C    . ARG A 1 59  ? -30.498 18.62  1.428   1   52.626 ? 59  ARG A C    1 ? 1 
ATOM   862  O  O    . ARG A 1 59  ? -31.558 19.149 1.718   1   55.836 ? 59  ARG A O    1 ? 1 
ATOM   863  C  CB   . ARG A 1 59  ? -28.392 19.863 1.989   1   49.708 ? 59  ARG A CB   1 ? 1 
ATOM   864  C  CG   . ARG A 1 59  ? -29.018 20.494 3.218   1   52.755 ? 59  ARG A CG   1 ? 1 
ATOM   865  C  CD   . ARG A 1 59  ? -27.948 20.81  4.239   1   52.817 ? 59  ARG A CD   1 ? 1 
ATOM   866  N  NE   . ARG A 1 59  ? -28.595 21.348 5.435   1   54.486 ? 59  ARG A NE   1 ? 1 
ATOM   867  C  CZ   . ARG A 1 59  ? -28.415 22.586 5.884   1   58.577 ? 59  ARG A CZ   1 ? 1 
ATOM   868  N  NH1  . ARG A 1 59  ? -27.338 23.298 5.569   1   57.296 ? 59  ARG A NH1  1 ? 1 
ATOM   869  N  NH2  . ARG A 1 59  ? -29.312 23.092 6.702   1   64.859 ? 59  ARG A NH2  1 ? 1 
ATOM   870  H  H    . ARG A 1 59  ? -30.424 21.257 0.749   1   46.977 ? 59  ARG A H    1 c 1 
ATOM   871  H  HA   . ARG A 1 59  ? -28.882 18.978 0.196   1   43.421 ? 59  ARG A HA   1 c 1 
ATOM   872  H  HB2  . ARG A 1 59  ? -27.912 19.053 2.265   1   43.283 ? 59  ARG A HB2  1 c 1 
ATOM   873  H  HB3  . ARG A 1 59  ? -27.731 20.486 1.62    1   42.897 ? 59  ARG A HB3  1 c 1 
ATOM   874  H  HG2  . ARG A 1 59  ? -29.48  21.322 2.963   1   47.008 ? 59  ARG A HG2  1 c 1 
ATOM   875  H  HG3  . ARG A 1 59  ? -29.67  19.877 3.614   1   47.346 ? 59  ARG A HG3  1 c 1 
ATOM   876  H  HD2  . ARG A 1 59  ? -27.452 20     4.468   1   44.681 ? 59  ARG A HD2  1 c 1 
ATOM   877  H  HD3  . ARG A 1 59  ? -27.321 21.467 3.874   1   44.484 ? 59  ARG A HD3  1 c 1 
ATOM   878  H  HE   . ARG A 1 59  ? -29.128 20.824 5.883   1   48.988 ? 59  ARG A HE   1 c 1 
ATOM   879  H  HH11 . ARG A 1 59  ? -26.537 22.899 5.538   1   45.765 ? 59  ARG A HH11 1 c 1 
ATOM   880  H  HH12 . ARG A 1 59  ? -27.429 24.173 5.395   1   47.74  ? 59  ARG A HH12 1 c 1 
ATOM   881  H  HH21 . ARG A 1 59  ? -30.036 22.628 6.91    1   52.649 ? 59  ARG A HH21 1 c 1 
ATOM   882  H  HH22 . ARG A 1 59  ? -29.189 23.899 7.042   1   52.237 ? 59  ARG A HH22 1 c 1 
ATOM   883  N  N    . PRO A 1 60  ? -30.34  17.276 1.534   1   49.745 ? 60  PRO A N    1 ? 1 
ATOM   884  C  CA   . PRO A 1 60  ? -29.168 16.564 1.022   1   44.67  ? 60  PRO A CA   1 ? 1 
ATOM   885  C  C    . PRO A 1 60  ? -29.053 16.674 -0.498  1   42.364 ? 60  PRO A C    1 ? 1 
ATOM   886  O  O    . PRO A 1 60  ? -30.048 16.873 -1.185  1   43.163 ? 60  PRO A O    1 ? 1 
ATOM   887  C  CB   . PRO A 1 60  ? -29.407 15.109 1.478   1   44.463 ? 60  PRO A CB   1 ? 1 
ATOM   888  C  CG   . PRO A 1 60  ? -30.904 15.018 1.579   1   48.873 ? 60  PRO A CG   1 ? 1 
ATOM   889  C  CD   . PRO A 1 60  ? -31.324 16.367 2.145   1   50.631 ? 60  PRO A CD   1 ? 1 
ATOM   890  H  HA   . PRO A 1 60  ? -28.351 16.92  1.452   1   43.235 ? 60  PRO A HA   1 c 1 
ATOM   891  H  HB2  . PRO A 1 60  ? -29.057 14.468 0.816   1   44.334 ? 60  PRO A HB2  1 c 1 
ATOM   892  H  HB3  . PRO A 1 60  ? -28.982 14.938 2.351   1   45.029 ? 60  PRO A HB3  1 c 1 
ATOM   893  H  HG2  . PRO A 1 60  ? -31.306 14.869 0.698   1   47.924 ? 60  PRO A HG2  1 c 1 
ATOM   894  H  HG3  . PRO A 1 60  ? -31.171 14.29  2.177   1   48.687 ? 60  PRO A HG3  1 c 1 
ATOM   895  H  HD2  . PRO A 1 60  ? -32.24  16.596 1.873   1   50.154 ? 60  PRO A HD2  1 c 1 
ATOM   896  H  HD3  . PRO A 1 60  ? -31.26  16.377 3.125   1   49.227 ? 60  PRO A HD3  1 c 1 
ATOM   897  N  N    . LEU A 1 61  ? -27.834 16.538 -1.026  1   38.207 ? 61  LEU A N    1 ? 1 
ATOM   898  C  CA   . LEU A 1 61  ? -27.654 16.61  -2.467  1   38.081 ? 61  LEU A CA   1 ? 1 
ATOM   899  C  C    . LEU A 1 61  ? -28.385 15.447 -3.126  1   39.048 ? 61  LEU A C    1 ? 1 
ATOM   900  O  O    . LEU A 1 61  ? -28.074 14.298 -2.829  1   37.574 ? 61  LEU A O    1 ? 1 
ATOM   901  C  CB   . LEU A 1 61  ? -26.176 16.559 -2.811  1   38.024 ? 61  LEU A CB   1 ? 1 
ATOM   902  C  CG   . LEU A 1 61  ? -25.344 17.733 -2.298  1   35.921 ? 61  LEU A CG   1 ? 1 
ATOM   903  C  CD1  . LEU A 1 61  ? -23.884 17.433 -2.506  1   32.23  ? 61  LEU A CD1  1 ? 1 
ATOM   904  C  CD2  . LEU A 1 61  ? -25.746 19.004 -3.006  1   39.011 ? 61  LEU A CD2  1 ? 1 
ATOM   905  H  H    . LEU A 1 61  ? -27.109 16.401 -0.486  1   40.44  ? 61  LEU A H    1 c 1 
ATOM   906  H  HA   . LEU A 1 61  ? -28.035 17.462 -2.787  1   40.798 ? 61  LEU A HA   1 c 1 
ATOM   907  H  HB2  . LEU A 1 61  ? -25.802 15.726 -2.442  1   38.153 ? 61  LEU A HB2  1 c 1 
ATOM   908  H  HB3  . LEU A 1 61  ? -26.089 16.521 -3.792  1   38.015 ? 61  LEU A HB3  1 c 1 
ATOM   909  H  HG   . LEU A 1 61  ? -25.511 17.842 -1.327  1   37.881 ? 61  LEU A HG   1 c 1 
ATOM   910  H  HD11 . LEU A 1 61  ? -23.642 16.634 -2.007  1   35.677 ? 61  LEU A HD11 1 c 1 
ATOM   911  H  HD12 . LEU A 1 61  ? -23.35  18.182 -2.192  1   35.143 ? 61  LEU A HD12 1 c 1 
ATOM   912  H  HD13 . LEU A 1 61  ? -23.713 17.287 -3.451  1   35.233 ? 61  LEU A HD13 1 c 1 
ATOM   913  H  HD21 . LEU A 1 61  ? -26.662 19.231 -2.774  1   38.88  ? 61  LEU A HD21 1 c 1 
ATOM   914  H  HD22 . LEU A 1 61  ? -25.678 18.877 -3.967  1   37.26  ? 61  LEU A HD22 1 c 1 
ATOM   915  H  HD23 . LEU A 1 61  ? -25.156 19.727 -2.733  1   37.014 ? 61  LEU A HD23 1 c 1 
ATOM   916  N  N    . PRO A 1 62  ? -29.36  15.708 -4.028  1   40.946 ? 62  PRO A N    1 ? 1 
ATOM   917  C  CA   . PRO A 1 62  ? -30.224 14.647 -4.551  1   41.611 ? 62  PRO A CA   1 ? 1 
ATOM   918  C  C    . PRO A 1 62  ? -29.48  13.681 -5.476  1   41.178 ? 62  PRO A C    1 ? 1 
ATOM   919  O  O    . PRO A 1 62  ? -28.456 14.016 -6.08   1   38.225 ? 62  PRO A O    1 ? 1 
ATOM   920  C  CB   . PRO A 1 62  ? -31.363 15.39  -5.274  1   43.938 ? 62  PRO A CB   1 ? 1 
ATOM   921  C  CG   . PRO A 1 62  ? -30.922 16.845 -5.395  1   43.339 ? 62  PRO A CG   1 ? 1 
ATOM   922  C  CD   . PRO A 1 62  ? -29.634 17.028 -4.617  1   40.872 ? 62  PRO A CD   1 ? 1 
ATOM   923  H  HA   . PRO A 1 62  ? -30.599 14.145 -3.784  1   45.395 ? 62  PRO A HA   1 c 1 
ATOM   924  H  HB2  . PRO A 1 62  ? -31.521 15.001 -6.166  1   46.608 ? 62  PRO A HB2  1 c 1 
ATOM   925  H  HB3  . PRO A 1 62  ? -32.201 15.324 -4.759  1   47.802 ? 62  PRO A HB3  1 c 1 
ATOM   926  H  HG2  . PRO A 1 62  ? -30.78  17.077 -6.336  1   44.828 ? 62  PRO A HG2  1 c 1 
ATOM   927  H  HG3  . PRO A 1 62  ? -31.616 17.438 -5.037  1   46.354 ? 62  PRO A HG3  1 c 1 
ATOM   928  H  HD2  . PRO A 1 62  ? -28.903 17.306 -5.212  1   41.699 ? 62  PRO A HD2  1 c 1 
ATOM   929  H  HD3  . PRO A 1 62  ? -29.749 17.709 -3.918  1   43.213 ? 62  PRO A HD3  1 c 1 
ATOM   930  N  N    . GLY A 1 63  ? -29.974 12.443 -5.538  1   41.903 ? 63  GLY A N    1 ? 1 
ATOM   931  C  CA   . GLY A 1 63  ? -29.422 11.444 -6.44   1   41.554 ? 63  GLY A CA   1 ? 1 
ATOM   932  C  C    . GLY A 1 63  ? -28.084 10.892 -5.952  1   39.296 ? 63  GLY A C    1 ? 1 
ATOM   933  O  O    . GLY A 1 63  ? -27.469 10.104 -6.662  1   38.848 ? 63  GLY A O    1 ? 1 
ATOM   934  H  H    . GLY A 1 63  ? -30.678 12.212 -5.002  1   46.361 ? 63  GLY A H    1 c 1 
ATOM   935  H  HA2  . GLY A 1 63  ? -30.067 10.704 -6.529  1   46.477 ? 63  GLY A HA2  1 c 1 
ATOM   936  H  HA3  . GLY A 1 63  ? -29.304 11.848 -7.332  1   44.588 ? 63  GLY A HA3  1 c 1 
ATOM   937  N  N    . ARG A 1 64  ? -27.664 11.28  -4.736  1   38.236 ? 64  ARG A N    1 ? 1 
ATOM   938  C  CA   . ARG A 1 64  ? -26.425 10.807 -4.137  1   37.896 ? 64  ARG A CA   1 ? 1 
ATOM   939  C  C    . ARG A 1 64  ? -26.668 10.455 -2.667  1   39.536 ? 64  ARG A C    1 ? 1 
ATOM   940  O  O    . ARG A 1 64  ? -27.492 11.082 -2.003  1   38.258 ? 64  ARG A O    1 ? 1 
ATOM   941  C  CB   . ARG A 1 64  ? -25.375 11.913 -4.258  1   35.912 ? 64  ARG A CB   1 ? 1 
ATOM   942  C  CG   . ARG A 1 64  ? -24.881 12.09  -5.689  1   35.664 ? 64  ARG A CG   1 ? 1 
ATOM   943  C  CD   . ARG A 1 64  ? -24.476 13.51  -6.013  1   34.766 ? 64  ARG A CD   1 ? 1 
ATOM   944  N  NE   . ARG A 1 64  ? -25.655 14.38  -6.127  1   35.785 ? 64  ARG A NE   1 ? 1 
ATOM   945  C  CZ   . ARG A 1 64  ? -25.667 15.657 -6.529  1   36.042 ? 64  ARG A CZ   1 ? 1 
ATOM   946  N  NH1  . ARG A 1 64  ? -24.536 16.305 -6.748  1   32.47  ? 64  ARG A NH1  1 ? 1 
ATOM   947  N  NH2  . ARG A 1 64  ? -26.825 16.29  -6.685  1   37.922 ? 64  ARG A NH2  1 ? 1 
ATOM   948  H  H    . ARG A 1 64  ? -28.181 11.856 -4.252  1   42.713 ? 64  ARG A H    1 c 1 
ATOM   949  H  HA   . ARG A 1 64  ? -26.12  9.998  -4.621  1   41.395 ? 64  ARG A HA   1 c 1 
ATOM   950  H  HB2  . ARG A 1 64  ? -25.763 12.758 -3.946  1   39.044 ? 64  ARG A HB2  1 c 1 
ATOM   951  H  HB3  . ARG A 1 64  ? -24.613 11.699 -3.68   1   38.457 ? 64  ARG A HB3  1 c 1 
ATOM   952  H  HG2  . ARG A 1 64  ? -24.11  11.501 -5.833  1   38.047 ? 64  ARG A HG2  1 c 1 
ATOM   953  H  HG3  . ARG A 1 64  ? -25.585 11.814 -6.313  1   39.444 ? 64  ARG A HG3  1 c 1 
ATOM   954  H  HD2  . ARG A 1 64  ? -23.888 13.852 -5.309  1   36.323 ? 64  ARG A HD2  1 c 1 
ATOM   955  H  HD3  . ARG A 1 64  ? -23.982 13.523 -6.857  1   36.684 ? 64  ARG A HD3  1 c 1 
ATOM   956  H  HE   . ARG A 1 64  ? -26.425 14.033 -5.912  1   39.119 ? 64  ARG A HE   1 c 1 
ATOM   957  H  HH11 . ARG A 1 64  ? -23.764 15.954 -6.489  1   35.336 ? 64  ARG A HH11 1 c 1 
ATOM   958  H  HH12 . ARG A 1 64  ? -24.553 17.093 -7.155  1   35.909 ? 64  ARG A HH12 1 c 1 
ATOM   959  H  HH21 . ARG A 1 64  ? -27.585 15.838 -6.643  1   40.021 ? 64  ARG A HH21 1 c 1 
ATOM   960  H  HH22 . ARG A 1 64  ? -26.833 17.164 -6.829  1   38.68  ? 64  ARG A HH22 1 c 1 
ATOM   961  N  N    . ARG A 1 65  ? -25.933 9.453  -2.161  1   40.547 ? 65  ARG A N    1 ? 1 
ATOM   962  C  CA   . ARG A 1 65  ? -25.962 9.132  -0.739  1   42.922 ? 65  ARG A CA   1 ? 1 
ATOM   963  C  C    . ARG A 1 65  ? -25.037 10.096 -0.002  1   40.788 ? 65  ARG A C    1 ? 1 
ATOM   964  O  O    . ARG A 1 65  ? -23.829 10.053 -0.212  1   38.995 ? 65  ARG A O    1 ? 1 
ATOM   965  C  CB   . ARG A 1 65  ? -25.508 7.691  -0.484  1   44.518 ? 65  ARG A CB   1 ? 1 
ATOM   966  C  CG   . ARG A 1 65  ? -25.437 7.316  0.989   1   47.553 ? 65  ARG A CG   1 ? 1 
ATOM   967  C  CD   . ARG A 1 65  ? -24.862 5.926  1.194   1   52.554 ? 65  ARG A CD   1 ? 1 
ATOM   968  N  NE   . ARG A 1 65  ? -25.694 4.88   0.584   1   58.651 ? 65  ARG A NE   1 ? 1 
ATOM   969  C  CZ   . ARG A 1 65  ? -25.241 3.668  0.292   1   61.707 ? 65  ARG A CZ   1 ? 1 
ATOM   970  N  NH1  . ARG A 1 65  ? -23.943 3.452  0.178   1   63.271 ? 65  ARG A NH1  1 ? 1 
ATOM   971  N  NH2  . ARG A 1 65  ? -26.082 2.687  0.031   1   64.825 ? 65  ARG A NH2  1 ? 1 
ATOM   972  H  H    . ARG A 1 65  ? -25.4   8.959  -2.715  1   41.638 ? 65  ARG A H    1 c 1 
ATOM   973  H  HA   . ARG A 1 65  ? -26.887 9.245  -0.405  1   54.123 ? 65  ARG A HA   1 c 1 
ATOM   974  H  HB2  . ARG A 1 65  ? -26.131 7.081  -0.935  1   44.697 ? 65  ARG A HB2  1 c 1 
ATOM   975  H  HB3  . ARG A 1 65  ? -24.622 7.563  -0.886  1   42.587 ? 65  ARG A HB3  1 c 1 
ATOM   976  H  HG2  . ARG A 1 65  ? -24.876 7.965  1.466   1   43.325 ? 65  ARG A HG2  1 c 1 
ATOM   977  H  HG3  . ARG A 1 65  ? -26.339 7.35   1.376   1   45.492 ? 65  ARG A HG3  1 c 1 
ATOM   978  H  HD2  . ARG A 1 65  ? -23.965 5.896  0.803   1   44.383 ? 65  ARG A HD2  1 c 1 
ATOM   979  H  HD3  . ARG A 1 65  ? -24.777 5.753  2.153   1   45.917 ? 65  ARG A HD3  1 c 1 
ATOM   980  H  HE   . ARG A 1 65  ? -26.526 5.065  0.404   1   47.889 ? 65  ARG A HE   1 c 1 
ATOM   981  H  HH11 . ARG A 1 65  ? -23.449 3.987  -0.333  1   46.041 ? 65  ARG A HH11 1 c 1 
ATOM   982  H  HH12 . ARG A 1 65  ? -23.574 2.767  0.61    1   48.188 ? 65  ARG A HH12 1 c 1 
ATOM   983  H  HH21 . ARG A 1 65  ? -26.953 2.824  0.087   1   51.323 ? 65  ARG A HH21 1 c 1 
ATOM   984  H  HH22 . ARG A 1 65  ? -25.77  1.891  -0.198  1   51.356 ? 65  ARG A HH22 1 c 1 
ATOM   985  N  N    . ASN A 1 66  ? -25.603 10.934 0.873   1   40.843 ? 66  ASN A N    1 ? 1 
ATOM   986  C  CA   . ASN A 1 66  ? -24.843 11.97  1.566   1   41.308 ? 66  ASN A CA   1 ? 1 
ATOM   987  C  C    . ASN A 1 66  ? -24.263 11.422 2.876   1   40.636 ? 66  ASN A C    1 ? 1 
ATOM   988  O  O    . ASN A 1 66  ? -24.983 10.792 3.641   1   41.665 ? 66  ASN A O    1 ? 1 
ATOM   989  C  CB   . ASN A 1 66  ? -25.698 13.214 1.822   1   44.616 ? 66  ASN A CB   1 ? 1 
ATOM   990  C  CG   . ASN A 1 66  ? -26.013 14.019 0.578   1   42.087 ? 66  ASN A CG   1 ? 1 
ATOM   991  O  OD1  . ASN A 1 66  ? -25.824 15.247 0.577   1   40.633 ? 66  ASN A OD1  1 ? 1 
ATOM   992  N  ND2  . ASN A 1 66  ? -26.528 13.368 -0.461  1   40.179 ? 66  ASN A ND2  1 ? 1 
ATOM   993  H  H    . ASN A 1 66  ? -26.497 10.858 1.049   1   53.03  ? 66  ASN A H    1 c 1 
ATOM   994  H  HA   . ASN A 1 66  ? -24.097 12.243 0.986   1   39.045 ? 66  ASN A HA   1 c 1 
ATOM   995  H  HB2  . ASN A 1 66  ? -26.539 12.936 2.237   1   52.603 ? 66  ASN A HB2  1 c 1 
ATOM   996  H  HB3  . ASN A 1 66  ? -25.23  13.791 2.459   1   50.831 ? 66  ASN A HB3  1 c 1 
ATOM   997  H  HD21 . ASN A 1 66  ? -26.291 13.601 -1.289  1   50.285 ? 66  ASN A HD21 1 c 1 
ATOM   998  H  HD22 . ASN A 1 66  ? -27.109 12.705 -0.327  1   52.117 ? 66  ASN A HD22 1 c 1 
ATOM   999  N  N    . VAL A 1 67  ? -22.962 11.658 3.126   1   38.052 ? 67  VAL A N    1 ? 1 
ATOM   1000 C  CA   . VAL A 1 67  ? -22.338 11.328 4.401   1   37.841 ? 67  VAL A CA   1 ? 1 
ATOM   1001 C  C    . VAL A 1 67  ? -21.591 12.558 4.941   1   38.517 ? 67  VAL A C    1 ? 1 
ATOM   1002 O  O    . VAL A 1 67  ? -20.862 13.246 4.206   1   36.084 ? 67  VAL A O    1 ? 1 
ATOM   1003 C  CB   . VAL A 1 67  ? -21.44  10.083 4.258   1   39.414 ? 67  VAL A CB   1 ? 1 
ATOM   1004 C  CG1  . VAL A 1 67  ? -20.843 9.614  5.592   1   42.053 ? 67  VAL A CG1  1 ? 1 
ATOM   1005 C  CG2  . VAL A 1 67  ? -22.2   8.94   3.591   1   40.01  ? 67  VAL A CG2  1 ? 1 
ATOM   1006 H  H    . VAL A 1 67  ? -22.447 12.038 2.474   1   38.514 ? 67  VAL A H    1 c 1 
ATOM   1007 H  HA   . VAL A 1 67  ? -23.049 11.11  5.031   1   41.454 ? 67  VAL A HA   1 c 1 
ATOM   1008 H  HB   . VAL A 1 67  ? -20.692 10.332 3.666   1   39.181 ? 67  VAL A HB   1 c 1 
ATOM   1009 H  HG11 . VAL A 1 67  ? -21.56  9.414  6.217   1   42.505 ? 67  VAL A HG11 1 c 1 
ATOM   1010 H  HG12 . VAL A 1 67  ? -20.279 10.314 5.962   1   40.794 ? 67  VAL A HG12 1 c 1 
ATOM   1011 H  HG13 . VAL A 1 67  ? -20.31  8.815  5.446   1   41.551 ? 67  VAL A HG13 1 c 1 
ATOM   1012 H  HG21 . VAL A 1 67  ? -21.65  8.139  3.594   1   41.614 ? 67  VAL A HG21 1 c 1 
ATOM   1013 H  HG22 . VAL A 1 67  ? -22.414 9.181  2.674   1   40.653 ? 67  VAL A HG22 1 c 1 
ATOM   1014 H  HG23 . VAL A 1 67  ? -23.023 8.768  4.081   1   42.426 ? 67  VAL A HG23 1 c 1 
ATOM   1015 N  N    . VAL A 1 68  ? -21.789 12.815 6.25    1   39.477 ? 68  VAL A N    1 ? 1 
ATOM   1016 C  CA   . VAL A 1 68  ? -21.241 13.974 6.956   1   38.051 ? 68  VAL A CA   1 ? 1 
ATOM   1017 C  C    . VAL A 1 68  ? -20.297 13.47  8.037   1   37.474 ? 68  VAL A C    1 ? 1 
ATOM   1018 O  O    . VAL A 1 68  ? -20.687 12.635 8.848   1   38.125 ? 68  VAL A O    1 ? 1 
ATOM   1019 C  CB   . VAL A 1 68  ? -22.322 14.865 7.593   1   38.534 ? 68  VAL A CB   1 ? 1 
ATOM   1020 C  CG1  . VAL A 1 68  ? -21.729 16.066 8.307   1   39.925 ? 68  VAL A CG1  1 ? 1 
ATOM   1021 C  CG2  . VAL A 1 68  ? -23.317 15.329 6.549   1   40.062 ? 68  VAL A CG2  1 ? 1 
ATOM   1022 H  H    . VAL A 1 68  ? -22.296 12.226 6.73    1   41.764 ? 68  VAL A H    1 c 1 
ATOM   1023 H  HA   . VAL A 1 68  ? -20.735 14.511 6.321   1   39.316 ? 68  VAL A HA   1 c 1 
ATOM   1024 H  HB   . VAL A 1 68  ? -22.803 14.316 8.256   1   43.07  ? 68  VAL A HB   1 c 1 
ATOM   1025 H  HG11 . VAL A 1 68  ? -21.169 16.565 7.689   1   40.74  ? 68  VAL A HG11 1 c 1 
ATOM   1026 H  HG12 . VAL A 1 68  ? -21.192 15.768 9.061   1   42.476 ? 68  VAL A HG12 1 c 1 
ATOM   1027 H  HG13 . VAL A 1 68  ? -22.445 16.639 8.629   1   42.892 ? 68  VAL A HG13 1 c 1 
ATOM   1028 H  HG21 . VAL A 1 68  ? -23.975 15.911 6.964   1   42.469 ? 68  VAL A HG21 1 c 1 
ATOM   1029 H  HG22 . VAL A 1 68  ? -23.766 14.559 6.162   1   41.664 ? 68  VAL A HG22 1 c 1 
ATOM   1030 H  HG23 . VAL A 1 68  ? -22.85  15.816 5.849   1   40.239 ? 68  VAL A HG23 1 c 1 
ATOM   1031 N  N    . VAL A 1 69  ? -19.076 14.002 8.028   1   36.133 ? 69  VAL A N    1 ? 1 
ATOM   1032 C  CA   . VAL A 1 69  ? -18.043 13.575 8.947   1   36.863 ? 69  VAL A CA   1 ? 1 
ATOM   1033 C  C    . VAL A 1 69  ? -18.006 14.582 10.084  1   39.181 ? 69  VAL A C    1 ? 1 
ATOM   1034 O  O    . VAL A 1 69  ? -17.826 15.772 9.837   1   40.521 ? 69  VAL A O    1 ? 1 
ATOM   1035 C  CB   . VAL A 1 69  ? -16.68  13.481 8.239   1   35.92  ? 69  VAL A CB   1 ? 1 
ATOM   1036 C  CG1  . VAL A 1 69  ? -15.557 13.13  9.201   1   38.911 ? 69  VAL A CG1  1 ? 1 
ATOM   1037 C  CG2  . VAL A 1 69  ? -16.71  12.505 7.064   1   33.378 ? 69  VAL A CG2  1 ? 1 
ATOM   1038 H  H    . VAL A 1 69  ? -18.879 14.661 7.426   1   39.367 ? 69  VAL A H    1 c 1 
ATOM   1039 H  HA   . VAL A 1 69  ? -18.276 12.698 9.3     1   41.993 ? 69  VAL A HA   1 c 1 
ATOM   1040 H  HB   . VAL A 1 69  ? -16.485 14.375 7.873   1   39.114 ? 69  VAL A HB   1 c 1 
ATOM   1041 H  HG11 . VAL A 1 69  ? -15.79  12.324 9.693   1   42.024 ? 69  VAL A HG11 1 c 1 
ATOM   1042 H  HG12 . VAL A 1 69  ? -15.423 13.862 9.825   1   41.481 ? 69  VAL A HG12 1 c 1 
ATOM   1043 H  HG13 . VAL A 1 69  ? -14.737 12.978 8.701   1   40.422 ? 69  VAL A HG13 1 c 1 
ATOM   1044 H  HG21 . VAL A 1 69  ? -15.826 12.454 6.662   1   38.553 ? 69  VAL A HG21 1 c 1 
ATOM   1045 H  HG22 . VAL A 1 69  ? -17.349 12.813 6.401   1   38.429 ? 69  VAL A HG22 1 c 1 
ATOM   1046 H  HG23 . VAL A 1 69  ? -16.971 11.624 7.381   1   39.975 ? 69  VAL A HG23 1 c 1 
ATOM   1047 N  N    . SER A 1 70  ? -18.177 14.074 11.304  1   39.818 ? 70  SER A N    1 ? 1 
ATOM   1048 C  CA   . SER A 1 70  ? -18.186 14.877 12.519  1   44.511 ? 70  SER A CA   1 ? 1 
ATOM   1049 C  C    . SER A 1 70  ? -17.485 14.088 13.615  1   46.104 ? 70  SER A C    1 ? 1 
ATOM   1050 O  O    . SER A 1 70  ? -17.553 12.86  13.586  1   43.308 ? 70  SER A O    1 ? 1 
ATOM   1051 C  CB   . SER A 1 70  ? -19.593 15.202 12.974  1   45.77  ? 70  SER A CB   1 ? 1 
ATOM   1052 O  OG   . SER A 1 70  ? -19.519 16.009 14.137  1   47.098 ? 70  SER A OG   1 ? 1 
ATOM   1053 H  H    . SER A 1 70  ? -18.298 13.172 11.386  1   44.551 ? 70  SER A H    1 c 1 
ATOM   1054 H  HA   . SER A 1 70  ? -17.689 15.719 12.357  1   45.148 ? 70  SER A HA   1 c 1 
ATOM   1055 H  HB2  . SER A 1 70  ? -20.066 15.681 12.267  1   46.176 ? 70  SER A HB2  1 c 1 
ATOM   1056 H  HB3  . SER A 1 70  ? -20.075 14.377 13.173  1   47.763 ? 70  SER A HB3  1 c 1 
ATOM   1057 H  HG   . SER A 1 70  ? -20.305 16.189 14.392  0   30     ? 70  SER A HG   1 c 1 
ATOM   1058 N  N    . ARG A 1 71  ? -16.896 14.789 14.605  1   47.128 ? 71  ARG A N    1 ? 1 
ATOM   1059 C  CA   . ARG A 1 71  ? -16.372 14.127 15.789  1   48.939 ? 71  ARG A CA   1 ? 1 
ATOM   1060 C  C    . ARG A 1 71  ? -17.512 13.761 16.741  1   50.429 ? 71  ARG A C    1 ? 1 
ATOM   1061 O  O    . ARG A 1 71  ? -17.35  12.889 17.596  1   52.443 ? 71  ARG A O    1 ? 1 
ATOM   1062 C  CB   . ARG A 1 71  ? -15.306 14.993 16.471  1   51.05  ? 71  ARG A CB   1 ? 1 
ATOM   1063 C  CG   . ARG A 1 71  ? -14.061 15.12  15.608  1   50.414 ? 71  ARG A CG   1 ? 1 
ATOM   1064 C  CD   . ARG A 1 71  ? -12.798 15.306 16.407  1   52.27  ? 71  ARG A CD   1 ? 1 
ATOM   1065 N  NE   . ARG A 1 71  ? -11.667 15.418 15.474  1   53.595 ? 71  ARG A NE   1 ? 1 
ATOM   1066 C  CZ   . ARG A 1 71  ? -11.365 16.522 14.802  1   53.538 ? 71  ARG A CZ   1 ? 1 
ATOM   1067 N  NH1  . ARG A 1 71  ? -12.078 17.629 14.93   1   54.286 ? 71  ARG A NH1  1 ? 1 
ATOM   1068 N  NH2  . ARG A 1 71  ? -10.316 16.528 14.015  1   53.929 ? 71  ARG A NH2  1 ? 1 
ATOM   1069 H  H    . ARG A 1 71  ? -16.822 15.698 14.535  1   48.409 ? 71  ARG A H    1 c 1 
ATOM   1070 H  HA   . ARG A 1 71  ? -15.935 13.285 15.5    1   64.07  ? 71  ARG A HA   1 c 1 
ATOM   1071 H  HB2  . ARG A 1 71  ? -15.672 15.886 16.643  1   51.959 ? 71  ARG A HB2  1 c 1 
ATOM   1072 H  HB3  . ARG A 1 71  ? -15.062 14.591 17.332  1   53.343 ? 71  ARG A HB3  1 c 1 
ATOM   1073 H  HG2  . ARG A 1 71  ? -13.968 14.312 15.059  1   62.936 ? 71  ARG A HG2  1 c 1 
ATOM   1074 H  HG3  . ARG A 1 71  ? -14.17  15.88  14.998  1   62.583 ? 71  ARG A HG3  1 c 1 
ATOM   1075 H  HD2  . ARG A 1 71  ? -12.857 16.113 16.953  1   63.92  ? 71  ARG A HD2  1 c 1 
ATOM   1076 H  HD3  . ARG A 1 71  ? -12.66  14.539 16.999  1   64.232 ? 71  ARG A HD3  1 c 1 
ATOM   1077 H  HE   . ARG A 1 71  ? -11.165 14.715 15.356  1   61.494 ? 71  ARG A HE   1 c 1 
ATOM   1078 H  HH11 . ARG A 1 71  ? -12.748 17.674 15.502  1   61.695 ? 71  ARG A HH11 1 c 1 
ATOM   1079 H  HH12 . ARG A 1 71  ? -11.882 18.335 14.434  1   59.96  ? 71  ARG A HH12 1 c 1 
ATOM   1080 H  HH21 . ARG A 1 71  ? -9.812  15.805 13.943  1   59.39  ? 71  ARG A HH21 1 c 1 
ATOM   1081 H  HH22 . ARG A 1 71  ? -10.112 17.256 13.556  1   58.474 ? 71  ARG A HH22 1 c 1 
ATOM   1082 N  N    . ARG A 1 72  ? -18.656 14.438 16.578  1   50.828 ? 72  ARG A N    1 ? 1 
ATOM   1083 C  CA   . ARG A 1 72  ? -19.772 14.321 17.496  1   53.685 ? 72  ARG A CA   1 ? 1 
ATOM   1084 C  C    . ARG A 1 72  ? -20.668 13.168 17.07   1   54.873 ? 72  ARG A C    1 ? 1 
ATOM   1085 O  O    . ARG A 1 72  ? -21.41  13.272 16.087  1   52.713 ? 72  ARG A O    1 ? 1 
ATOM   1086 C  CB   . ARG A 1 72  ? -20.648 15.569 17.482  1   57.202 ? 72  ARG A CB   1 ? 1 
ATOM   1087 C  CG   . ARG A 1 72  ? -19.935 16.734 18.137  1   62.381 ? 72  ARG A CG   1 ? 1 
ATOM   1088 C  CD   . ARG A 1 72  ? -20.822 17.976 18.088  1   68.221 ? 72  ARG A CD   1 ? 1 
ATOM   1089 N  NE   . ARG A 1 72  ? -20.463 18.866 16.975  1   67.697 ? 72  ARG A NE   1 ? 1 
ATOM   1090 C  CZ   . ARG A 1 72  ? -21.161 19.909 16.533  1   68.016 ? 72  ARG A CZ   1 ? 1 
ATOM   1091 N  NH1  . ARG A 1 72  ? -22.454 20.048 16.801  1   69.724 ? 72  ARG A NH1  1 ? 1 
ATOM   1092 N  NH2  . ARG A 1 72  ? -20.553 20.802 15.776  1   68.762 ? 72  ARG A NH2  1 ? 1 
ATOM   1093 H  H    . ARG A 1 72  ? -18.74  15.006 15.868  1   51.529 ? 72  ARG A H    1 c 1 
ATOM   1094 H  HA   . ARG A 1 72  ? -19.424 14.165 18.408  1   68.962 ? 72  ARG A HA   1 c 1 
ATOM   1095 H  HB2  . ARG A 1 72  ? -20.868 15.804 16.556  1   54.003 ? 72  ARG A HB2  1 c 1 
ATOM   1096 H  HB3  . ARG A 1 72  ? -21.485 15.389 17.961  1   57.173 ? 72  ARG A HB3  1 c 1 
ATOM   1097 H  HG2  . ARG A 1 72  ? -19.737 16.514 19.074  1   58.353 ? 72  ARG A HG2  1 c 1 
ATOM   1098 H  HG3  . ARG A 1 72  ? -19.09  16.911 17.671  1   55.158 ? 72  ARG A HG3  1 c 1 
ATOM   1099 H  HD2  . ARG A 1 72  ? -21.757 17.701 17.993  1   57.736 ? 72  ARG A HD2  1 c 1 
ATOM   1100 H  HD3  . ARG A 1 72  ? -20.736 18.465 18.931  1   59.122 ? 72  ARG A HD3  1 c 1 
ATOM   1101 H  HE   . ARG A 1 72  ? -19.718 18.702 16.553  1   53.682 ? 72  ARG A HE   1 c 1 
ATOM   1102 H  HH11 . ARG A 1 72  ? -22.917 19.369 17.133  1   57.565 ? 72  ARG A HH11 1 c 1 
ATOM   1103 H  HH12 . ARG A 1 72  ? -22.852 20.825 16.643  1   57.211 ? 72  ARG A HH12 1 c 1 
ATOM   1104 H  HH21 . ARG A 1 72  ? -19.666 20.827 15.754  1   52.927 ? 72  ARG A HH21 1 c 1 
ATOM   1105 H  HH22 . ARG A 1 72  ? -21.033 21.375 15.296  1   53.315 ? 72  ARG A HH22 1 c 1 
ATOM   1106 N  N    . PRO A 1 73  ? -20.678 12.055 17.825  1   55.352 ? 73  PRO A N    1 ? 1 
ATOM   1107 C  CA   . PRO A 1 73  ? -21.455 10.893 17.411  1   56.633 ? 73  PRO A CA   1 ? 1 
ATOM   1108 C  C    . PRO A 1 73  ? -22.956 11.138 17.505  1   59.096 ? 73  PRO A C    1 ? 1 
ATOM   1109 O  O    . PRO A 1 73  ? -23.708 10.269 17.106  1   61.13  ? 73  PRO A O    1 ? 1 
ATOM   1110 C  CB   . PRO A 1 73  ? -20.995 9.826  18.389  1   58.316 ? 73  PRO A CB   1 ? 1 
ATOM   1111 C  CG   . PRO A 1 73  ? -20.748 10.625 19.642  1   60.321 ? 73  PRO A CG   1 ? 1 
ATOM   1112 C  CD   . PRO A 1 73  ? -20.043 11.877 19.142  1   57.915 ? 73  PRO A CD   1 ? 1 
ATOM   1113 H  HA   . PRO A 1 73  ? -21.206 10.636 16.488  1   55.328 ? 73  PRO A HA   1 c 1 
ATOM   1114 H  HB2  . PRO A 1 73  ? -21.695 9.146  18.531  1   60.271 ? 73  PRO A HB2  1 c 1 
ATOM   1115 H  HB3  . PRO A 1 73  ? -20.168 9.389  18.076  1   58.309 ? 73  PRO A HB3  1 c 1 
ATOM   1116 H  HG2  . PRO A 1 73  ? -21.592 10.852 20.087  1   62.489 ? 73  PRO A HG2  1 c 1 
ATOM   1117 H  HG3  . PRO A 1 73  ? -20.18  10.13  20.269  1   62.302 ? 73  PRO A HG3  1 c 1 
ATOM   1118 H  HD2  . PRO A 1 73  ? -20.217 12.643 19.734  1   71.916 ? 73  PRO A HD2  1 c 1 
ATOM   1119 H  HD3  . PRO A 1 73  ? -19.075 11.733 19.06   1   70.2   ? 73  PRO A HD3  1 c 1 
ATOM   1120 N  N    . ASP A 1 74  ? -23.405 12.301 17.999  1   59.884 ? 74  ASP A N    1 ? 1 
ATOM   1121 C  CA   . ASP A 1 74  ? -24.834 12.58  18.048  1   61.31  ? 74  ASP A CA   1 ? 1 
ATOM   1122 C  C    . ASP A 1 74  ? -25.222 13.756 17.155  1   61.432 ? 74  ASP A C    1 ? 1 
ATOM   1123 O  O    . ASP A 1 74  ? -26.308 14.303 17.314  1   64.58  ? 74  ASP A O    1 ? 1 
ATOM   1124 C  CB   . ASP A 1 74  ? -25.272 12.891 19.463  1   63.96  ? 74  ASP A CB   1 ? 1 
ATOM   1125 C  CG   . ASP A 1 74  ? -24.464 13.989 20.133  1   64.091 ? 74  ASP A CG   1 ? 1 
ATOM   1126 O  OD1  . ASP A 1 74  ? -23.386 14.363 19.596  1   60.621 ? 74  ASP A OD1  1 ? 1 
ATOM   1127 O  OD2  . ASP A 1 74  ? -24.915 14.441 21.206  1   68.497 ? 74  ASP A OD2  1 ? 1 
ATOM   1128 H  H    . ASP A 1 74  ? -22.819 12.924 18.321  1   59.221 ? 74  ASP A H    1 c 1 
ATOM   1129 H  HA   . ASP A 1 74  ? -25.324 11.782 17.746  1   60.869 ? 74  ASP A HA   1 c 1 
ATOM   1130 H  HB2  . ASP A 1 74  ? -26.217 13.148 19.471  1   65.067 ? 74  ASP A HB2  1 c 1 
ATOM   1131 H  HB3  . ASP A 1 74  ? -25.18  12.077 20.001  1   65.165 ? 74  ASP A HB3  1 c 1 
ATOM   1132 N  N    . PHE A 1 75  ? -24.327 14.173 16.257  1   60.552 ? 75  PHE A N    1 ? 1 
ATOM   1133 C  CA   . PHE A 1 75  ? -24.614 15.273 15.342  1   62.399 ? 75  PHE A CA   1 ? 1 
ATOM   1134 C  C    . PHE A 1 75  ? -25.801 14.888 14.45   1   67.142 ? 75  PHE A C    1 ? 1 
ATOM   1135 O  O    . PHE A 1 75  ? -25.913 13.713 14.097  1   65.068 ? 75  PHE A O    1 ? 1 
ATOM   1136 C  CB   . PHE A 1 75  ? -23.37  15.646 14.524  1   59.086 ? 75  PHE A CB   1 ? 1 
ATOM   1137 C  CG   . PHE A 1 75  ? -23.678 16.767 13.541  1   57.739 ? 75  PHE A CG   1 ? 1 
ATOM   1138 C  CD1  . PHE A 1 75  ? -23.844 18.078 13.988  1   56.685 ? 75  PHE A CD1  1 ? 1 
ATOM   1139 C  CD2  . PHE A 1 75  ? -23.858 16.502 12.18   1   55.529 ? 75  PHE A CD2  1 ? 1 
ATOM   1140 C  CE1  . PHE A 1 75  ? -24.176 19.092 13.101  1   55.511 ? 75  PHE A CE1  1 ? 1 
ATOM   1141 C  CE2  . PHE A 1 75  ? -24.213 17.519 11.304  1   51.21  ? 75  PHE A CE2  1 ? 1 
ATOM   1142 C  CZ   . PHE A 1 75  ? -24.372 18.808 11.764  1   52.394 ? 75  PHE A CZ   1 ? 1 
ATOM   1143 H  H    . PHE A 1 75  ? -23.513 13.76  16.205  1   55.674 ? 75  PHE A H    1 c 1 
ATOM   1144 H  HA   . PHE A 1 75  ? -24.876 16.064 15.885  1   56.416 ? 75  PHE A HA   1 c 1 
ATOM   1145 H  HB2  . PHE A 1 75  ? -22.659 15.937 15.137  1   52.836 ? 75  PHE A HB2  1 c 1 
ATOM   1146 H  HB3  . PHE A 1 75  ? -23.062 14.854 14.031  1   51.341 ? 75  PHE A HB3  1 c 1 
ATOM   1147 H  HD1  . PHE A 1 75  ? -23.737 18.274 14.905  1   53.801 ? 75  PHE A HD1  1 c 1 
ATOM   1148 H  HD2  . PHE A 1 75  ? -23.778 15.617 11.863  1   48.573 ? 75  PHE A HD2  1 c 1 
ATOM   1149 H  HE1  . PHE A 1 75  ? -24.281 19.975 13.416  1   52.375 ? 75  PHE A HE1  1 c 1 
ATOM   1150 H  HE2  . PHE A 1 75  ? -24.323 17.33  10.386  1   47.066 ? 75  PHE A HE2  1 c 1 
ATOM   1151 H  HZ   . PHE A 1 75  ? -24.574 19.504 11.159  1   48.935 ? 75  PHE A HZ   1 c 1 
ATOM   1152 N  N    . VAL A 1 76  ? -26.67  15.871 14.096  1   67.9   ? 76  VAL A N    1 ? 1 
ATOM   1153 C  CA   . VAL A 1 76  ? -27.868 15.63  13.287  1   65.768 ? 76  VAL A CA   1 ? 1 
ATOM   1154 C  C    . VAL A 1 76  ? -27.676 16.192 11.876  1   59.086 ? 76  VAL A C    1 ? 1 
ATOM   1155 O  O    . VAL A 1 76  ? -27.456 17.397 11.684  1   58.553 ? 76  VAL A O    1 ? 1 
ATOM   1156 C  CB   . VAL A 1 76  ? -29.214 16.147 13.854  1   72.046 ? 76  VAL A CB   1 ? 1 
ATOM   1157 C  CG1  . VAL A 1 76  ? -29.54  15.53  15.212  1   77.253 ? 76  VAL A CG1  1 ? 1 
ATOM   1158 C  CG2  . VAL A 1 76  ? -29.304 17.675 13.922  1   75.993 ? 76  VAL A CG2  1 ? 1 
ATOM   1159 H  H    . VAL A 1 76  ? -26.5   16.725 14.373  1   55.777 ? 76  VAL A H    1 c 1 
ATOM   1160 H  HA   . VAL A 1 76  ? -27.958 14.662 13.2    1   55.755 ? 76  VAL A HA   1 c 1 
ATOM   1161 H  HB   . VAL A 1 76  ? -29.916 15.849 13.23   1   58.826 ? 76  VAL A HB   1 c 1 
ATOM   1162 H  HG11 . VAL A 1 76  ? -28.828 15.734 15.842  1   61.554 ? 76  VAL A HG11 1 c 1 
ATOM   1163 H  HG12 . VAL A 1 76  ? -29.622 14.565 15.119  1   61.465 ? 76  VAL A HG12 1 c 1 
ATOM   1164 H  HG13 . VAL A 1 76  ? -30.378 15.895 15.543  1   63.535 ? 76  VAL A HG13 1 c 1 
ATOM   1165 H  HG21 . VAL A 1 76  ? -30.083 17.931 14.446  1   61.542 ? 76  VAL A HG21 1 c 1 
ATOM   1166 H  HG22 . VAL A 1 76  ? -29.388 18.039 13.024  1   58.029 ? 76  VAL A HG22 1 c 1 
ATOM   1167 H  HG23 . VAL A 1 76  ? -28.501 18.03  14.343  1   58.842 ? 76  VAL A HG23 1 c 1 
ATOM   1168 N  N    . ALA A 1 77  ? -27.794 15.294 10.885  1   54.905 ? 77  ALA A N    1 ? 1 
ATOM   1169 C  CA   . ALA A 1 77  ? -27.816 15.673 9.48    1   52.891 ? 77  ALA A CA   1 ? 1 
ATOM   1170 C  C    . ALA A 1 77  ? -29.014 15.01  8.797   1   52.574 ? 77  ALA A C    1 ? 1 
ATOM   1171 O  O    . ALA A 1 77  ? -29.014 13.8   8.528   1   51.008 ? 77  ALA A O    1 ? 1 
ATOM   1172 C  CB   . ALA A 1 77  ? -26.507 15.304 8.811   1   47.554 ? 77  ALA A CB   1 ? 1 
ATOM   1173 H  H    . ALA A 1 77  ? -27.862 14.407 11.096  1   52.508 ? 77  ALA A H    1 c 1 
ATOM   1174 H  HA   . ALA A 1 77  ? -27.936 16.661 9.425   1   78.928 ? 77  ALA A HA   1 c 1 
ATOM   1175 H  HB1  . ALA A 1 77  ? -25.771 15.747 9.267   1   47.2   ? 77  ALA A HB1  1 c 1 
ATOM   1176 H  HB2  . ALA A 1 77  ? -26.378 14.342 8.853   1   47.608 ? 77  ALA A HB2  1 c 1 
ATOM   1177 H  HB3  . ALA A 1 77  ? -26.524 15.586 7.881   1   46.48  ? 77  ALA A HB3  1 c 1 
ATOM   1178 N  N    . GLU A 1 78  ? -30.041 15.825 8.531   1   53.591 ? 78  GLU A N    1 ? 1 
ATOM   1179 C  CA   . GLU A 1 78  ? -31.308 15.312 8.047   1   55.545 ? 78  GLU A CA   1 ? 1 
ATOM   1180 C  C    . GLU A 1 78  ? -31.149 14.932 6.583   1   51.679 ? 78  GLU A C    1 ? 1 
ATOM   1181 O  O    . GLU A 1 78  ? -30.889 15.804 5.755   1   53.158 ? 78  GLU A O    1 ? 1 
ATOM   1182 C  CB   . GLU A 1 78  ? -32.467 16.303 8.175   1   58.678 ? 78  GLU A CB   1 ? 1 
ATOM   1183 C  CG   . GLU A 1 78  ? -33.746 15.816 7.491   1   63.651 ? 78  GLU A CG   1 ? 1 
ATOM   1184 C  CD   . GLU A 1 78  ? -34.359 14.533 8.047   1   67.865 ? 78  GLU A CD   1 ? 1 
ATOM   1185 O  OE1  . GLU A 1 78  ? -34.066 14.149 9.203   1   68.249 ? 78  GLU A OE1  1 ? 1 
ATOM   1186 O  OE2  . GLU A 1 78  ? -35.135 13.898 7.302   1   69.76  ? 78  GLU A OE2  1 ? 1 
ATOM   1187 H  H    . GLU A 1 78  ? -29.947 16.726 8.651   1   81.156 ? 78  GLU A H    1 c 1 
ATOM   1188 H  HA   . GLU A 1 78  ? -31.531 14.5   8.568   1   55.139 ? 78  GLU A HA   1 c 1 
ATOM   1189 H  HB2  . GLU A 1 78  ? -32.648 16.46  9.125   1   80.291 ? 78  GLU A HB2  1 c 1 
ATOM   1190 H  HB3  . GLU A 1 78  ? -32.2   17.157 7.775   1   77.953 ? 78  GLU A HB3  1 c 1 
ATOM   1191 H  HG2  . GLU A 1 78  ? -34.421 16.525 7.553   1   59.651 ? 78  GLU A HG2  1 c 1 
ATOM   1192 H  HG3  . GLU A 1 78  ? -33.566 15.681 6.537   1   56.722 ? 78  GLU A HG3  1 c 1 
ATOM   1193 N  N    . GLY A 1 79  ? -31.337 13.636 6.302   1   49.221 ? 79  GLY A N    1 ? 1 
ATOM   1194 C  CA   . GLY A 1 79  ? -31.174 13.091 4.969   1   47.805 ? 79  GLY A CA   1 ? 1 
ATOM   1195 C  C    . GLY A 1 79  ? -29.74  12.635 4.693   1   46.336 ? 79  GLY A C    1 ? 1 
ATOM   1196 O  O    . GLY A 1 79  ? -29.421 12.354 3.543   1   45.995 ? 79  GLY A O    1 ? 1 
ATOM   1197 H  H    . GLY A 1 79  ? -31.58  13.068 6.975   1   53.747 ? 79  GLY A H    1 c 1 
ATOM   1198 H  HA2  . GLY A 1 79  ? -31.785 12.325 4.861   1   52.393 ? 79  GLY A HA2  1 c 1 
ATOM   1199 H  HA3  . GLY A 1 79  ? -31.432 13.775 4.309   1   50.837 ? 79  GLY A HA3  1 c 1 
ATOM   1200 N  N    . ALA A 1 80  ? -28.906 12.524 5.743   1   45.549 ? 80  ALA A N    1 ? 1 
ATOM   1201 C  CA   . ALA A 1 80  ? -27.528 12.065 5.601   1   43.6   ? 80  ALA A CA   1 ? 1 
ATOM   1202 C  C    . ALA A 1 80  ? -27.158 11.068 6.696   1   44.976 ? 80  ALA A C    1 ? 1 
ATOM   1203 O  O    . ALA A 1 80  ? -27.777 11.053 7.746   1   46.613 ? 80  ALA A O    1 ? 1 
ATOM   1204 C  CB   . ALA A 1 80  ? -26.594 13.236 5.624   1   41.024 ? 80  ALA A CB   1 ? 1 
ATOM   1205 H  H    . ALA A 1 80  ? -29.208 12.737 6.578   1   49.501 ? 80  ALA A H    1 c 1 
ATOM   1206 H  HA   . ALA A 1 80  ? -27.442 11.601 4.723   1   45.778 ? 80  ALA A HA   1 c 1 
ATOM   1207 H  HB1  . ALA A 1 80  ? -26.809 13.841 4.894   1   44.171 ? 80  ALA A HB1  1 c 1 
ATOM   1208 H  HB2  . ALA A 1 80  ? -26.683 13.708 6.468   1   45.516 ? 80  ALA A HB2  1 c 1 
ATOM   1209 H  HB3  . ALA A 1 80  ? -25.678 12.926 5.525   1   43.651 ? 80  ALA A HB3  1 c 1 
ATOM   1210 N  N    . ARG A 1 81  ? -26.133 10.237 6.448   1   45.908 ? 81  ARG A N    1 ? 1 
ATOM   1211 C  CA   . ARG A 1 81  ? -25.553 9.409  7.502   1   49.109 ? 81  ARG A CA   1 ? 1 
ATOM   1212 C  C    . ARG A 1 81  ? -24.377 10.177 8.101   1   47.777 ? 81  ARG A C    1 ? 1 
ATOM   1213 O  O    . ARG A 1 81  ? -23.571 10.751 7.357   1   43.376 ? 81  ARG A O    1 ? 1 
ATOM   1214 C  CB   . ARG A 1 81  ? -25.098 8.052  6.951   1   52.997 ? 81  ARG A CB   1 ? 1 
ATOM   1215 C  CG   . ARG A 1 81  ? -25.131 6.906  7.949   1   62.685 ? 81  ARG A CG   1 ? 1 
ATOM   1216 C  CD   . ARG A 1 81  ? -25.805 5.663  7.336   1   70.978 ? 81  ARG A CD   1 ? 1 
ATOM   1217 N  NE   . ARG A 1 81  ? -25.186 5.103  6.124   1   75.721 ? 81  ARG A NE   1 ? 1 
ATOM   1218 C  CZ   . ARG A 1 81  ? -25.696 5.011  4.891   1   80.851 ? 81  ARG A CZ   1 ? 1 
ATOM   1219 N  NH1  . ARG A 1 81  ? -25.265 4.035  4.115   1   84.154 ? 81  ARG A NH1  1 ? 1 
ATOM   1220 N  NH2  . ARG A 1 81  ? -26.703 5.766  4.468   1   83.711 ? 81  ARG A NH2  1 ? 1 
ATOM   1221 H  H    . ARG A 1 81  ? -25.787 10.185 5.603   1   45.292 ? 81  ARG A H    1 c 1 
ATOM   1222 H  HA   . ARG A 1 81  ? -26.237 9.263  8.204   1   48.955 ? 81  ARG A HA   1 c 1 
ATOM   1223 H  HB2  . ARG A 1 81  ? -25.671 7.821  6.189   1   47.496 ? 81  ARG A HB2  1 c 1 
ATOM   1224 H  HB3  . ARG A 1 81  ? -24.182 8.145  6.612   1   46.062 ? 81  ARG A HB3  1 c 1 
ATOM   1225 H  HG2  . ARG A 1 81  ? -24.213 6.677  8.215   1   48.999 ? 81  ARG A HG2  1 c 1 
ATOM   1226 H  HG3  . ARG A 1 81  ? -25.627 7.179  8.751   1   50.52  ? 81  ARG A HG3  1 c 1 
ATOM   1227 H  HD2  . ARG A 1 81  ? -25.825 4.967  8.024   1   52.237 ? 81  ARG A HD2  1 c 1 
ATOM   1228 H  HD3  . ARG A 1 81  ? -26.735 5.894  7.137   1   51.422 ? 81  ARG A HD3  1 c 1 
ATOM   1229 H  HE   . ARG A 1 81  ? -24.385 4.795  6.212   1   49.356 ? 81  ARG A HE   1 c 1 
ATOM   1230 H  HH11 . ARG A 1 81  ? -24.61  3.508  4.389   1   49.865 ? 81  ARG A HH11 1 c 1 
ATOM   1231 H  HH12 . ARG A 1 81  ? -25.633 3.905  3.321   1   49.705 ? 81  ARG A HH12 1 c 1 
ATOM   1232 H  HH21 . ARG A 1 81  ? -27.023 6.41   4.98    1   49.442 ? 81  ARG A HH21 1 c 1 
ATOM   1233 H  HH22 . ARG A 1 81  ? -27.054 5.624  3.668   1   49.426 ? 81  ARG A HH22 1 c 1 
ATOM   1234 N  N    . VAL A 1 82  ? -24.288 10.215 9.436   1   45.329 ? 82  VAL A N    1 ? 1 
ATOM   1235 C  CA   . VAL A 1 82  ? -23.19  10.905 10.096  1   45.71  ? 82  VAL A CA   1 ? 1 
ATOM   1236 C  C    . VAL A 1 82  ? -22.125 9.863  10.437  1   48.539 ? 82  VAL A C    1 ? 1 
ATOM   1237 O  O    . VAL A 1 82  ? -22.455 8.795  10.959  1   52.291 ? 82  VAL A O    1 ? 1 
ATOM   1238 C  CB   . VAL A 1 82  ? -23.663 11.685 11.339  1   45.95  ? 82  VAL A CB   1 ? 1 
ATOM   1239 C  CG1  . VAL A 1 82  ? -22.509 12.351 12.08   1   47.007 ? 82  VAL A CG1  1 ? 1 
ATOM   1240 C  CG2  . VAL A 1 82  ? -24.723 12.723 10.988  1   45.342 ? 82  VAL A CG2  1 ? 1 
ATOM   1241 H  H    . VAL A 1 82  ? -24.923 9.801  9.947   1   49.129 ? 82  VAL A H    1 c 1 
ATOM   1242 H  HA   . VAL A 1 82  ? -22.808 11.542 9.467   1   45.548 ? 82  VAL A HA   1 c 1 
ATOM   1243 H  HB   . VAL A 1 82  ? -24.075 11.032 11.952  1   50.223 ? 82  VAL A HB   1 c 1 
ATOM   1244 H  HG11 . VAL A 1 82  ? -22.027 12.936 11.472  1   46.955 ? 82  VAL A HG11 1 c 1 
ATOM   1245 H  HG12 . VAL A 1 82  ? -21.904 11.672 12.423  1   48.724 ? 82  VAL A HG12 1 c 1 
ATOM   1246 H  HG13 . VAL A 1 82  ? -22.858 12.874 12.821  1   49.638 ? 82  VAL A HG13 1 c 1 
ATOM   1247 H  HG21 . VAL A 1 82  ? -24.963 13.225 11.785  1   50.074 ? 82  VAL A HG21 1 c 1 
ATOM   1248 H  HG22 . VAL A 1 82  ? -25.513 12.277 10.639  1   49.41  ? 82  VAL A HG22 1 c 1 
ATOM   1249 H  HG23 . VAL A 1 82  ? -24.372 13.332 10.317  1   47.394 ? 82  VAL A HG23 1 c 1 
ATOM   1250 N  N    . ALA A 1 83  ? -20.856 10.185 10.152  1   46.775 ? 83  ALA A N    1 ? 1 
ATOM   1251 C  CA   . ALA A 1 83  ? -19.749 9.278  10.414  1   46.858 ? 83  ALA A CA   1 ? 1 
ATOM   1252 C  C    . ALA A 1 83  ? -18.687 9.981  11.246  1   44.794 ? 83  ALA A C    1 ? 1 
ATOM   1253 O  O    . ALA A 1 83  ? -18.453 11.171 11.081  1   41.947 ? 83  ALA A O    1 ? 1 
ATOM   1254 C  CB   . ALA A 1 83  ? -19.179 8.786  9.098   1   46.933 ? 83  ALA A CB   1 ? 1 
ATOM   1255 H  H    . ALA A 1 83  ? -20.674 11     9.781   1   44.659 ? 83  ALA A H    1 c 1 
ATOM   1256 H  HA   . ALA A 1 83  ? -20.091 8.5    10.934  1   47.505 ? 83  ALA A HA   1 c 1 
ATOM   1257 H  HB1  . ALA A 1 83  ? -19.87  8.326  8.593   1   44.76  ? 83  ALA A HB1  1 c 1 
ATOM   1258 H  HB2  . ALA A 1 83  ? -18.852 9.541  8.581   1   43.294 ? 83  ALA A HB2  1 c 1 
ATOM   1259 H  HB3  . ALA A 1 83  ? -18.444 8.172  9.269   1   45.043 ? 83  ALA A HB3  1 c 1 
ATOM   1260 N  N    . GLY A 1 84  ? -18.021 9.207  12.107  1   47.583 ? 84  GLY A N    1 ? 1 
ATOM   1261 C  CA   . GLY A 1 84  ? -17.11  9.742  13.104  1   47.789 ? 84  GLY A CA   1 ? 1 
ATOM   1262 C  C    . GLY A 1 84  ? -15.668 9.771  12.596  1   48.603 ? 84  GLY A C    1 ? 1 
ATOM   1263 O  O    . GLY A 1 84  ? -14.749 10.094 13.337  1   49.864 ? 84  GLY A O    1 ? 1 
ATOM   1264 H  H    . GLY A 1 84  ? -18.139 8.301  12.068  1   48.358 ? 84  GLY A H    1 c 1 
ATOM   1265 H  HA2  . GLY A 1 84  ? -17.392 10.65  13.347  1   48.33  ? 84  GLY A HA2  1 c 1 
ATOM   1266 H  HA3  . GLY A 1 84  ? -17.16  9.183  13.915  1   50.112 ? 84  GLY A HA3  1 c 1 
ATOM   1267 N  N    . SER A 1 85  ? -15.464 9.422  11.327  1   47.098 ? 85  SER A N    1 ? 1 
ATOM   1268 C  CA   . SER A 1 85  ? -14.136 9.441  10.751  1   47.693 ? 85  SER A CA   1 ? 1 
ATOM   1269 C  C    . SER A 1 85  ? -14.259 9.259  9.251   1   47.253 ? 85  SER A C    1 ? 1 
ATOM   1270 O  O    . SER A 1 85  ? -15.289 8.849  8.721   1   45.939 ? 85  SER A O    1 ? 1 
ATOM   1271 C  CB   . SER A 1 85  ? -13.22  8.363  11.317  1   50.194 ? 85  SER A CB   1 ? 1 
ATOM   1272 O  OG   . SER A 1 85  ? -13.602 7.074  10.852  1   49.776 ? 85  SER A OG   1 ? 1 
ATOM   1273 H  H    . SER A 1 85  ? -16.167 9.158  10.807  1   45.549 ? 85  SER A H    1 c 1 
ATOM   1274 H  HA   . SER A 1 85  ? -13.73  10.328 10.927  1   44.825 ? 85  SER A HA   1 c 1 
ATOM   1275 H  HB2  . SER A 1 85  ? -12.301 8.547  11.046  1   46.711 ? 85  SER A HB2  1 c 1 
ATOM   1276 H  HB3  . SER A 1 85  ? -13.258 8.381  12.291  1   48.308 ? 85  SER A HB3  1 c 1 
ATOM   1277 H  HG   . SER A 1 85  ? -13.075 6.502  11.183  0   30     ? 85  SER A HG   1 c 1 
ATOM   1278 N  N    . LEU A 1 86  ? -13.153 9.486  8.57    1   48.498 ? 86  LEU A N    1 ? 1 
ATOM   1279 C  CA   . LEU A 1 86  ? -13.2   9.247  7.158   1   47.365 ? 86  LEU A CA   1 ? 1 
ATOM   1280 C  C    . LEU A 1 86  ? -13.252 7.751  6.875   1   47.487 ? 86  LEU A C    1 ? 1 
ATOM   1281 O  O    . LEU A 1 86  ? -13.832 7.349  5.875   1   48.013 ? 86  LEU A O    1 ? 1 
ATOM   1282 C  CB   . LEU A 1 86  ? -12.043 9.872  6.418   1   50.057 ? 86  LEU A CB   1 ? 1 
ATOM   1283 C  CG   . LEU A 1 86  ? -12.385 9.958  4.938   1   47.236 ? 86  LEU A CG   1 ? 1 
ATOM   1284 C  CD1  . LEU A 1 86  ? -12.903 11.348 4.647   1   46.679 ? 86  LEU A CD1  1 ? 1 
ATOM   1285 C  CD2  . LEU A 1 86  ? -11.194 9.501  4.157   1   51.03  ? 86  LEU A CD2  1 ? 1 
ATOM   1286 H  H    . LEU A 1 86  ? -12.386 9.784  8.968   1   43.084 ? 86  LEU A H    1 c 1 
ATOM   1287 H  HA   . LEU A 1 86  ? -14.04  9.647  6.814   1   40.626 ? 86  LEU A HA   1 c 1 
ATOM   1288 H  HB2  . LEU A 1 86  ? -11.889 10.779 6.772   1   40.107 ? 86  LEU A HB2  1 c 1 
ATOM   1289 H  HB3  . LEU A 1 86  ? -11.244 9.309  6.538   1   41.342 ? 86  LEU A HB3  1 c 1 
ATOM   1290 H  HG   . LEU A 1 86  ? -13.122 9.325  4.749   1   39.239 ? 86  LEU A HG   1 c 1 
ATOM   1291 H  HD11 . LEU A 1 86  ? -13.676 11.53  5.207   1   37.751 ? 86  LEU A HD11 1 c 1 
ATOM   1292 H  HD12 . LEU A 1 86  ? -13.16  11.409 3.712   1   36.717 ? 86  LEU A HD12 1 c 1 
ATOM   1293 H  HD13 . LEU A 1 86  ? -12.207 12.001 4.833   1   37.381 ? 86  LEU A HD13 1 c 1 
ATOM   1294 H  HD21 . LEU A 1 86  ? -11.063 8.547  4.293   1   40.288 ? 86  LEU A HD21 1 c 1 
ATOM   1295 H  HD22 . LEU A 1 86  ? -10.405 9.981  4.459   1   39.32  ? 86  LEU A HD22 1 c 1 
ATOM   1296 H  HD23 . LEU A 1 86  ? -11.339 9.675  3.211   1   38.311 ? 86  LEU A HD23 1 c 1 
ATOM   1297 N  N    . GLU A 1 87  ? -12.662 6.93   7.748   1   49.005 ? 87  GLU A N    1 ? 1 
ATOM   1298 C  CA   . GLU A 1 87  ? -12.643 5.496  7.522   1   50.999 ? 87  GLU A CA   1 ? 1 
ATOM   1299 C  C    . GLU A 1 87  ? -14.073 4.962  7.621   1   49.653 ? 87  GLU A C    1 ? 1 
ATOM   1300 O  O    . GLU A 1 87  ? -14.488 4.12   6.815   1   47.701 ? 87  GLU A O    1 ? 1 
ATOM   1301 C  CB   . GLU A 1 87  ? -11.702 4.795  8.506   1   55.818 ? 87  GLU A CB   1 ? 1 
ATOM   1302 C  CG   . GLU A 1 87  ? -10.245 5.257  8.404   1   58.413 ? 87  GLU A CG   1 ? 1 
ATOM   1303 C  CD   . GLU A 1 87  ? -10.029 6.746  8.639   1   58.446 ? 87  GLU A CD   1 ? 1 
ATOM   1304 O  OE1  . GLU A 1 87  ? -10.491 7.232  9.689   1   59.864 ? 87  GLU A OE1  1 ? 1 
ATOM   1305 O  OE2  . GLU A 1 87  ? -9.444  7.434  7.769   1   57.913 ? 87  GLU A OE2  1 ? 1 
ATOM   1306 H  H    . GLU A 1 87  ? -12.292 7.267  8.512   1   44.979 ? 87  GLU A H    1 c 1 
ATOM   1307 H  HA   . GLU A 1 87  ? -12.31  5.332  6.603   1   45.412 ? 87  GLU A HA   1 c 1 
ATOM   1308 H  HB2  . GLU A 1 87  ? -12.022 4.957  9.418   1   48.773 ? 87  GLU A HB2  1 c 1 
ATOM   1309 H  HB3  . GLU A 1 87  ? -11.74  3.829  8.344   1   49.284 ? 87  GLU A HB3  1 c 1 
ATOM   1310 H  HG2  . GLU A 1 87  ? -9.709  4.76   9.058   1   49.778 ? 87  GLU A HG2  1 c 1 
ATOM   1311 H  HG3  . GLU A 1 87  ? -9.903  5.031  7.513   1   47.742 ? 87  GLU A HG3  1 c 1 
ATOM   1312 N  N    . ALA A 1 88  ? -14.812 5.472  8.617   1   48.323 ? 88  ALA A N    1 ? 1 
ATOM   1313 C  CA   . ALA A 1 88  ? -16.213 5.13   8.805   1   49.176 ? 88  ALA A CA   1 ? 1 
ATOM   1314 C  C    . ALA A 1 88  ? -17.055 5.583  7.617   1   46.696 ? 88  ALA A C    1 ? 1 
ATOM   1315 O  O    . ALA A 1 88  ? -18.05  4.939  7.26    1   46.423 ? 88  ALA A O    1 ? 1 
ATOM   1316 C  CB   . ALA A 1 88  ? -16.737 5.756  10.082  1   48.944 ? 88  ALA A CB   1 ? 1 
ATOM   1317 H  H    . ALA A 1 88  ? -14.422 6.049  9.209   1   46.648 ? 88  ALA A H    1 c 1 
ATOM   1318 H  HA   . ALA A 1 88  ? -16.284 4.138  8.877   1   48.621 ? 88  ALA A HA   1 c 1 
ATOM   1319 H  HB1  . ALA A 1 88  ? -16.227 5.428  10.841  1   49.245 ? 88  ALA A HB1  1 c 1 
ATOM   1320 H  HB2  . ALA A 1 88  ? -16.651 6.723  10.031  1   46.891 ? 88  ALA A HB2  1 c 1 
ATOM   1321 H  HB3  . ALA A 1 88  ? -17.674 5.523  10.2    1   48.591 ? 88  ALA A HB3  1 c 1 
ATOM   1322 N  N    . ALA A 1 89  ? -16.682 6.735  7.048   1   45.831 ? 89  ALA A N    1 ? 1 
ATOM   1323 C  CA   . ALA A 1 89  ? -17.445 7.323  5.957   1   43.111 ? 89  ALA A CA   1 ? 1 
ATOM   1324 C  C    . ALA A 1 89  ? -17.355 6.417  4.737   1   41.129 ? 89  ALA A C    1 ? 1 
ATOM   1325 O  O    . ALA A 1 89  ? -18.339 6.182  4.031   1   39.574 ? 89  ALA A O    1 ? 1 
ATOM   1326 C  CB   . ALA A 1 89  ? -16.915 8.695  5.633   1   43.358 ? 89  ALA A CB   1 ? 1 
ATOM   1327 H  H    . ALA A 1 89  ? -15.942 7.174  7.355   1   43.471 ? 89  ALA A H    1 c 1 
ATOM   1328 H  HA   . ALA A 1 89  ? -18.4   7.39   6.235   1   42.719 ? 89  ALA A HA   1 c 1 
ATOM   1329 H  HB1  . ALA A 1 89  ? -16.955 9.257  6.426   1   40.753 ? 89  ALA A HB1  1 c 1 
ATOM   1330 H  HB2  . ALA A 1 89  ? -15.993 8.629  5.334   1   40.22  ? 89  ALA A HB2  1 c 1 
ATOM   1331 H  HB3  . ALA A 1 89  ? -17.452 9.096  4.929   1   39.725 ? 89  ALA A HB3  1 c 1 
ATOM   1332 N  N    . LEU A 1 90  ? -16.13  5.946  4.506   1   41.923 ? 90  LEU A N    1 ? 1 
ATOM   1333 C  CA   . LEU A 1 90  ? -15.846 5.037  3.418   1   44.982 ? 90  LEU A CA   1 ? 1 
ATOM   1334 C  C    . LEU A 1 90  ? -16.521 3.693  3.637   1   49.076 ? 90  LEU A C    1 ? 1 
ATOM   1335 O  O    . LEU A 1 90  ? -16.852 3.035  2.66    1   50.162 ? 90  LEU A O    1 ? 1 
ATOM   1336 C  CB   . LEU A 1 90  ? -14.338 4.883  3.249   1   47.063 ? 90  LEU A CB   1 ? 1 
ATOM   1337 C  CG   . LEU A 1 90  ? -13.636 6.147  2.754   1   45.443 ? 90  LEU A CG   1 ? 1 
ATOM   1338 C  CD1  . LEU A 1 90  ? -12.125 5.968  2.736   1   49.191 ? 90  LEU A CD1  1 ? 1 
ATOM   1339 C  CD2  . LEU A 1 90  ? -14.201 6.517  1.386   1   43.678 ? 90  LEU A CD2  1 ? 1 
ATOM   1340 H  H    . LEU A 1 90  ? -15.441 6.21   5.045   1   42.548 ? 90  LEU A H    1 c 1 
ATOM   1341 H  HA   . LEU A 1 90  ? -16.223 5.428  2.591   1   41.981 ? 90  LEU A HA   1 c 1 
ATOM   1342 H  HB2  . LEU A 1 90  ? -13.952 4.629  4.119   1   44.055 ? 90  LEU A HB2  1 c 1 
ATOM   1343 H  HB3  . LEU A 1 90  ? -14.169 4.157  2.606   1   43.81  ? 90  LEU A HB3  1 c 1 
ATOM   1344 H  HG   . LEU A 1 90  ? -13.849 6.884  3.38    1   40.712 ? 90  LEU A HG   1 c 1 
ATOM   1345 H  HD11 . LEU A 1 90  ? -11.809 5.772  3.634   1   42.79  ? 90  LEU A HD11 1 c 1 
ATOM   1346 H  HD12 . LEU A 1 90  ? -11.705 6.785  2.417   1   40.829 ? 90  LEU A HD12 1 c 1 
ATOM   1347 H  HD13 . LEU A 1 90  ? -11.891 5.233  2.144   1   42.647 ? 90  LEU A HD13 1 c 1 
ATOM   1348 H  HD21 . LEU A 1 90  ? -15.115 6.835  1.483   1   39.631 ? 90  LEU A HD21 1 c 1 
ATOM   1349 H  HD22 . LEU A 1 90  ? -14.189 5.735  0.807   1   40.797 ? 90  LEU A HD22 1 c 1 
ATOM   1350 H  HD23 . LEU A 1 90  ? -13.657 7.22   0.991   1   39.081 ? 90  LEU A HD23 1 c 1 
ATOM   1351 N  N    . ALA A 1 91  ? -16.734 3.282  4.891   1   50.797 ? 91  ALA A N    1 ? 1 
ATOM   1352 C  CA   . ALA A 1 91  ? -17.475 2.049  5.122   1   53.378 ? 91  ALA A CA   1 ? 1 
ATOM   1353 C  C    . ALA A 1 91  ? -18.952 2.243  4.759   1   52.59  ? 91  ALA A C    1 ? 1 
ATOM   1354 O  O    . ALA A 1 91  ? -19.553 1.389  4.117   1   51.067 ? 91  ALA A O    1 ? 1 
ATOM   1355 C  CB   . ALA A 1 91  ? -17.277 1.586  6.544   1   54.77  ? 91  ALA A CB   1 ? 1 
ATOM   1356 H  H    . ALA A 1 91  ? -16.409 3.756  5.602   1   46.209 ? 91  ALA A H    1 c 1 
ATOM   1357 H  HA   . ALA A 1 91  ? -17.104 1.353  4.513   1   49.214 ? 91  ALA A HA   1 c 1 
ATOM   1358 H  HB1  . ALA A 1 91  ? -16.332 1.426  6.707   1   50.607 ? 91  ALA A HB1  1 c 1 
ATOM   1359 H  HB2  . ALA A 1 91  ? -17.597 2.267  7.158   1   49.805 ? 91  ALA A HB2  1 c 1 
ATOM   1360 H  HB3  . ALA A 1 91  ? -17.772 0.762  6.691   1   51.847 ? 91  ALA A HB3  1 c 1 
ATOM   1361 N  N    . TYR A 1 92  ? -19.538 3.4    5.078   1   52.253 ? 92  TYR A N    1 ? 1 
ATOM   1362 C  CA   . TYR A 1 92  ? -20.95  3.594  4.765   1   55.719 ? 92  TYR A CA   1 ? 1 
ATOM   1363 C  C    . TYR A 1 92  ? -21.17  3.738  3.257   1   53.71  ? 92  TYR A C    1 ? 1 
ATOM   1364 O  O    . TYR A 1 92  ? -22.315 3.74   2.799   1   55.966 ? 92  TYR A O    1 ? 1 
ATOM   1365 C  CB   . TYR A 1 92  ? -21.596 4.84   5.375   1   56.002 ? 92  TYR A CB   1 ? 1 
ATOM   1366 C  CG   . TYR A 1 92  ? -21.836 4.832  6.878   1   60.733 ? 92  TYR A CG   1 ? 1 
ATOM   1367 C  CD1  . TYR A 1 92  ? -22.58  3.836  7.511   1   64.056 ? 92  TYR A CD1  1 ? 1 
ATOM   1368 C  CD2  . TYR A 1 92  ? -21.332 5.861  7.664   1   61.379 ? 92  TYR A CD2  1 ? 1 
ATOM   1369 C  CE1  . TYR A 1 92  ? -22.811 3.868  8.877   1   66.737 ? 92  TYR A CE1  1 ? 1 
ATOM   1370 C  CE2  . TYR A 1 92  ? -21.558 5.901  9.03    1   63.299 ? 92  TYR A CE2  1 ? 1 
ATOM   1371 C  CZ   . TYR A 1 92  ? -22.296 4.906  9.635   1   64.892 ? 92  TYR A CZ   1 ? 1 
ATOM   1372 O  OH   . TYR A 1 92  ? -22.472 5.004  10.984  1   68.777 ? 92  TYR A OH   1 ? 1 
ATOM   1373 H  H    . TYR A 1 92  ? -19.069 4.066  5.493   1   46.285 ? 92  TYR A H    1 c 1 
ATOM   1374 H  HA   . TYR A 1 92  ? -21.452 2.797  5.081   1   48.905 ? 92  TYR A HA   1 c 1 
ATOM   1375 H  HB2  . TYR A 1 92  ? -21.029 5.612  5.156   1   45.009 ? 92  TYR A HB2  1 c 1 
ATOM   1376 H  HB3  . TYR A 1 92  ? -22.459 4.988  4.929   1   46.535 ? 92  TYR A HB3  1 c 1 
ATOM   1377 H  HD1  . TYR A 1 92  ? -22.94  3.13   6.998   1   50.934 ? 92  TYR A HD1  1 c 1 
ATOM   1378 H  HD2  . TYR A 1 92  ? -20.834 6.553  7.259   1   45.626 ? 92  TYR A HD2  1 c 1 
ATOM   1379 H  HE1  . TYR A 1 92  ? -23.312 3.185  9.29    1   53.344 ? 92  TYR A HE1  1 c 1 
ATOM   1380 H  HE2  . TYR A 1 92  ? -21.206 6.605  9.547   1   48.175 ? 92  TYR A HE2  1 c 1 
ATOM   1381 H  HH   . TYR A 1 92  ? -21.832 4.606  11.396  0   30     ? 92  TYR A HH   1 c 1 
ATOM   1382 N  N    . ALA A 1 93  ? -20.087 3.91   2.49    1   49.31  ? 93  ALA A N    1 ? 1 
ATOM   1383 C  CA   . ALA A 1 93  ? -20.192 3.976  1.04    1   48.984 ? 93  ALA A CA   1 ? 1 
ATOM   1384 C  C    . ALA A 1 93  ? -20.555 2.609  0.469   1   50.285 ? 93  ALA A C    1 ? 1 
ATOM   1385 O  O    . ALA A 1 93  ? -21.055 2.53   -0.648  1   50.277 ? 93  ALA A O    1 ? 1 
ATOM   1386 C  CB   . ALA A 1 93  ? -18.901 4.505  0.432   1   46.902 ? 93  ALA A CB   1 ? 1 
ATOM   1387 H  H    . ALA A 1 93  ? -19.266 4.014  2.876   1   44.749 ? 93  ALA A H    1 c 1 
ATOM   1388 H  HA   . ALA A 1 93  ? -20.931 4.606  0.815   1   43.798 ? 93  ALA A HA   1 c 1 
ATOM   1389 H  HB1  . ALA A 1 93  ? -18.692 5.375  0.813   1   41.758 ? 93  ALA A HB1  1 c 1 
ATOM   1390 H  HB2  . ALA A 1 93  ? -18.173 3.889  0.62    1   43.587 ? 93  ALA A HB2  1 c 1 
ATOM   1391 H  HB3  . ALA A 1 93  ? -19.005 4.594  -0.531  1   42.499 ? 93  ALA A HB3  1 c 1 
ATOM   1392 N  N    . GLY A 1 94  ? -20.292 1.541  1.232   1   52.548 ? 94  GLY A N    1 ? 1 
ATOM   1393 C  CA   . GLY A 1 94  ? -20.744 0.215  0.849   1   56.985 ? 94  GLY A CA   1 ? 1 
ATOM   1394 C  C    . GLY A 1 94  ? -19.988 -0.274 -0.383  1   60.16  ? 94  GLY A C    1 ? 1 
ATOM   1395 O  O    . GLY A 1 94  ? -18.766 -0.124 -0.457  1   60.879 ? 94  GLY A O    1 ? 1 
ATOM   1396 H  H    . GLY A 1 94  ? -19.804 1.636  1.998   1   48.154 ? 94  GLY A H    1 c 1 
ATOM   1397 H  HA2  . GLY A 1 94  ? -20.596 -0.408 1.599   1   51.899 ? 94  GLY A HA2  1 c 1 
ATOM   1398 H  HA3  . GLY A 1 94  ? -21.711 0.243  0.66    1   51.02  ? 94  GLY A HA3  1 c 1 
ATOM   1399 N  N    . SER A 1 95  ? -20.727 -0.811 -1.362  1   58.945 ? 95  SER A N    1 ? 1 
ATOM   1400 C  CA   . SER A 1 95  ? -20.121 -1.325 -2.58   1   57.38  ? 95  SER A CA   1 ? 1 
ATOM   1401 C  C    . SER A 1 95  ? -19.965 -0.236 -3.646  1   54.104 ? 95  SER A C    1 ? 1 
ATOM   1402 O  O    . SER A 1 95  ? -19.648 -0.541 -4.798  1   55.806 ? 95  SER A O    1 ? 1 
ATOM   1403 C  CB   . SER A 1 95  ? -20.921 -2.48  -3.111  1   61.107 ? 95  SER A CB   1 ? 1 
ATOM   1404 O  OG   . SER A 1 95  ? -22.193 -2.027 -3.548  1   60.471 ? 95  SER A OG   1 ? 1 
ATOM   1405 H  H    . SER A 1 95  ? -21.635 -0.858 -1.269  1   52.643 ? 95  SER A H    1 c 1 
ATOM   1406 H  HA   . SER A 1 95  ? -19.216 -1.66  -2.353  1   53.118 ? 95  SER A HA   1 c 1 
ATOM   1407 H  HB2  . SER A 1 95  ? -20.445 -2.892 -3.857  1   56.287 ? 95  SER A HB2  1 c 1 
ATOM   1408 H  HB3  . SER A 1 95  ? -21.035 -3.148 -2.408  1   56.969 ? 95  SER A HB3  1 c 1 
ATOM   1409 H  HG   . SER A 1 95  ? -22.616 -2.699 -3.84   0   30     ? 95  SER A HG   1 c 1 
ATOM   1410 N  N    . ASP A 1 96  ? -20.18  1.033  -3.279  1   48.411 ? 96  ASP A N    1 ? 1 
ATOM   1411 C  CA   . ASP A 1 96  ? -20.046 2.103  -4.245  1   45.745 ? 96  ASP A CA   1 ? 1 
ATOM   1412 C  C    . ASP A 1 96  ? -18.637 2.033  -4.821  1   46.335 ? 96  ASP A C    1 ? 1 
ATOM   1413 O  O    . ASP A 1 96  ? -17.641 2.099  -4.101  1   45.256 ? 96  ASP A O    1 ? 1 
ATOM   1414 C  CB   . ASP A 1 96  ? -20.367 3.448  -3.627  1   42.959 ? 96  ASP A CB   1 ? 1 
ATOM   1415 C  CG   . ASP A 1 96  ? -20.179 4.663  -4.521  1   41.764 ? 96  ASP A CG   1 ? 1 
ATOM   1416 O  OD1  . ASP A 1 96  ? -19.828 4.491  -5.719  1   40.583 ? 96  ASP A OD1  1 ? 1 
ATOM   1417 O  OD2  . ASP A 1 96  ? -20.363 5.78   -3.979  1   41.509 ? 96  ASP A OD2  1 ? 1 
ATOM   1418 H  H    . ASP A 1 96  ? -20.418 1.235  -2.421  1   48.098 ? 96  ASP A H    1 c 1 
ATOM   1419 H  HA   . ASP A 1 96  ? -20.698 1.945  -4.961  1   47.166 ? 96  ASP A HA   1 c 1 
ATOM   1420 H  HB2  . ASP A 1 96  ? -21.3   3.436  -3.328  1   44.941 ? 96  ASP A HB2  1 c 1 
ATOM   1421 H  HB3  . ASP A 1 96  ? -19.802 3.567  -2.835  1   43.98  ? 96  ASP A HB3  1 c 1 
ATOM   1422 N  N    . PRO A 1 97  ? -18.522 1.881  -6.152  1   47.604 ? 97  PRO A N    1 ? 1 
ATOM   1423 C  CA   . PRO A 1 97  ? -17.214 1.692  -6.774  1   47.082 ? 97  PRO A CA   1 ? 1 
ATOM   1424 C  C    . PRO A 1 97  ? -16.37  2.965  -6.795  1   43.536 ? 97  PRO A C    1 ? 1 
ATOM   1425 O  O    . PRO A 1 97  ? -15.153 2.888  -6.944  1   41.356 ? 97  PRO A O    1 ? 1 
ATOM   1426 C  CB   . PRO A 1 97  ? -17.628 1.228  -8.169  1   51.028 ? 97  PRO A CB   1 ? 1 
ATOM   1427 C  CG   . PRO A 1 97  ? -18.917 1.978  -8.429  1   51.969 ? 97  PRO A CG   1 ? 1 
ATOM   1428 C  CD   . PRO A 1 97  ? -19.644 1.886  -7.106  1   49.403 ? 97  PRO A CD   1 ? 1 
ATOM   1429 H  HA   . PRO A 1 97  ? -16.727 0.966  -6.309  1   48.062 ? 97  PRO A HA   1 c 1 
ATOM   1430 H  HB2  . PRO A 1 97  ? -16.942 1.463  -8.837  1   48.143 ? 97  PRO A HB2  1 c 1 
ATOM   1431 H  HB3  . PRO A 1 97  ? -17.776 0.254  -8.187  1   50.285 ? 97  PRO A HB3  1 c 1 
ATOM   1432 H  HG2  . PRO A 1 97  ? -18.74  2.912  -8.669  1   45.849 ? 97  PRO A HG2  1 c 1 
ATOM   1433 H  HG3  . PRO A 1 97  ? -19.434 1.555  -9.145  1   48.734 ? 97  PRO A HG3  1 c 1 
ATOM   1434 H  HD2  . PRO A 1 97  ? -20.233 2.659  -6.972  1   46.209 ? 97  PRO A HD2  1 c 1 
ATOM   1435 H  HD3  . PRO A 1 97  ? -20.169 1.057  -7.046  1   49.035 ? 97  PRO A HD3  1 c 1 
ATOM   1436 N  N    . ALA A 1 98  ? -17.041 4.117  -6.625  1   42.256 ? 98  ALA A N    1 ? 1 
ATOM   1437 C  CA   . ALA A 1 98  ? -16.437 5.424  -6.843  1   38.456 ? 98  ALA A CA   1 ? 1 
ATOM   1438 C  C    . ALA A 1 98  ? -17.046 6.477  -5.92   1   35.37  ? 98  ALA A C    1 ? 1 
ATOM   1439 O  O    . ALA A 1 98  ? -17.657 7.438  -6.377  1   36.193 ? 98  ALA A O    1 ? 1 
ATOM   1440 C  CB   . ALA A 1 98  ? -16.602 5.821  -8.298  1   39.948 ? 98  ALA A CB   1 ? 1 
ATOM   1441 H  H    . ALA A 1 98  ? -17.918 4.086  -6.369  1   42.885 ? 98  ALA A H    1 c 1 
ATOM   1442 H  HA   . ALA A 1 98  ? -15.466 5.357  -6.636  1   40.704 ? 98  ALA A HA   1 c 1 
ATOM   1443 H  HB1  . ALA A 1 98  ? -16.161 5.169  -8.867  1   55.308 ? 98  ALA A HB1  1 c 1 
ATOM   1444 H  HB2  . ALA A 1 98  ? -17.546 5.855  -8.523  1   54.364 ? 98  ALA A HB2  1 c 1 
ATOM   1445 H  HB3  . ALA A 1 98  ? -16.206 6.696  -8.447  1   52.963 ? 98  ALA A HB3  1 c 1 
ATOM   1446 N  N    . PRO A 1 99  ? -16.862 6.373  -4.591  1   35.039 ? 99  PRO A N    1 ? 1 
ATOM   1447 C  CA   . PRO A 1 99  ? -17.304 7.433  -3.682  1   34.116 ? 99  PRO A CA   1 ? 1 
ATOM   1448 C  C    . PRO A 1 99  ? -16.51  8.72   -3.87   1   31.386 ? 99  PRO A C    1 ? 1 
ATOM   1449 O  O    . PRO A 1 99  ? -15.331 8.688  -4.231  1   31.923 ? 99  PRO A O    1 ? 1 
ATOM   1450 C  CB   . PRO A 1 99  ? -17.09  6.828  -2.301  1   36.038 ? 99  PRO A CB   1 ? 1 
ATOM   1451 C  CG   . PRO A 1 99  ? -16.028 5.774  -2.5    1   36.642 ? 99  PRO A CG   1 ? 1 
ATOM   1452 C  CD   . PRO A 1 99  ? -16.249 5.239  -3.896  1   38.307 ? 99  PRO A CD   1 ? 1 
ATOM   1453 H  HA   . PRO A 1 99  ? -18.269 7.604  -3.825  1   37.895 ? 99  PRO A HA   1 c 1 
ATOM   1454 H  HB2  . PRO A 1 99  ? -16.788 7.513  -1.66   1   37.895 ? 99  PRO A HB2  1 c 1 
ATOM   1455 H  HB3  . PRO A 1 99  ? -17.924 6.424  -1.963  1   39.411 ? 99  PRO A HB3  1 c 1 
ATOM   1456 H  HG2  . PRO A 1 99  ? -15.133 6.164  -2.417  1   39.326 ? 99  PRO A HG2  1 c 1 
ATOM   1457 H  HG3  . PRO A 1 99  ? -16.121 5.058  -1.838  1   40.951 ? 99  PRO A HG3  1 c 1 
ATOM   1458 H  HD2  . PRO A 1 99  ? -15.396 4.984  -4.314  1   40.911 ? 99  PRO A HD2  1 c 1 
ATOM   1459 H  HD3  . PRO A 1 99  ? -16.85  4.464  -3.886  1   41.763 ? 99  PRO A HD3  1 c 1 
ATOM   1460 N  N    . TRP A 1 100 ? -17.18  9.846  -3.619  1   30.335 ? 100 TRP A N    1 ? 1 
ATOM   1461 C  CA   . TRP A 1 100 ? -16.574 11.161 -3.789  1   29.224 ? 100 TRP A CA   1 ? 1 
ATOM   1462 C  C    . TRP A 1 100 ? -16.543 11.923 -2.473  1   29.884 ? 100 TRP A C    1 ? 1 
ATOM   1463 O  O    . TRP A 1 100 ? -17.554 12.043 -1.768  1   32.024 ? 100 TRP A O    1 ? 1 
ATOM   1464 C  CB   . TRP A 1 100 ? -17.313 11.956 -4.872  1   28.914 ? 100 TRP A CB   1 ? 1 
ATOM   1465 C  CG   . TRP A 1 100 ? -17.006 11.427 -6.249  1   29.784 ? 100 TRP A CG   1 ? 1 
ATOM   1466 C  CD1  . TRP A 1 100 ? -17.688 10.459 -6.931  1   32.011 ? 100 TRP A CD1  1 ? 1 
ATOM   1467 C  CD2  . TRP A 1 100 ? -15.868 11.77  -7.062  1   29.44  ? 100 TRP A CD2  1 ? 1 
ATOM   1468 N  NE1  . TRP A 1 100 ? -17.058 10.179 -8.117  1   33.961 ? 100 TRP A NE1  1 ? 1 
ATOM   1469 C  CE2  . TRP A 1 100 ? -15.94  10.97  -8.222  1   32.289 ? 100 TRP A CE2  1 ? 1 
ATOM   1470 C  CE3  . TRP A 1 100 ? -14.808 12.684 -6.929  1   30.507 ? 100 TRP A CE3  1 ? 1 
ATOM   1471 C  CZ2  . TRP A 1 100 ? -14.987 11.055 -9.235  1   34.051 ? 100 TRP A CZ2  1 ? 1 
ATOM   1472 C  CZ3  . TRP A 1 100 ? -13.889 12.793 -7.949  1   30.668 ? 100 TRP A CZ3  1 ? 1 
ATOM   1473 C  CH2  . TRP A 1 100 ? -13.967 11.969 -9.078  1   33.197 ? 100 TRP A CH2  1 ? 1 
ATOM   1474 H  H    . TRP A 1 100 ? -18.045 9.797  -3.329  1   35.525 ? 100 TRP A H    1 c 1 
ATOM   1475 H  HA   . TRP A 1 100 ? -15.638 11.032 -4.095  1   33.811 ? 100 TRP A HA   1 c 1 
ATOM   1476 H  HB2  . TRP A 1 100 ? -18.279 11.892 -4.709  1   33.708 ? 100 TRP A HB2  1 c 1 
ATOM   1477 H  HB3  . TRP A 1 100 ? -17.038 12.897 -4.82   1   32.569 ? 100 TRP A HB3  1 c 1 
ATOM   1478 H  HD1  . TRP A 1 100 ? -18.469 10.023 -6.627  1   35.544 ? 100 TRP A HD1  1 c 1 
ATOM   1479 H  HE1  . TRP A 1 100 ? -17.33  9.601  -8.712  1   36.144 ? 100 TRP A HE1  1 c 1 
ATOM   1480 H  HE3  . TRP A 1 100 ? -14.75  13.24  -6.171  1   32.006 ? 100 TRP A HE3  1 c 1 
ATOM   1481 H  HZ2  . TRP A 1 100 ? -15.049 10.519 -10.006 1   35.353 ? 100 TRP A HZ2  1 c 1 
ATOM   1482 H  HZ3  . TRP A 1 100 ? -13.165 13.39  -7.861  1   32.207 ? 100 TRP A HZ3  1 c 1 
ATOM   1483 H  HH2  . TRP A 1 100 ? -13.313 12.048 -9.751  1   33.853 ? 100 TRP A HH2  1 c 1 
ATOM   1484 N  N    . VAL A 1 101 ? -15.373 12.505 -2.205  1   28.476 ? 101 VAL A N    1 ? 1 
ATOM   1485 C  CA   . VAL A 1 101 ? -15.203 13.462 -1.125  1   28.77  ? 101 VAL A CA   1 ? 1 
ATOM   1486 C  C    . VAL A 1 101 ? -15.33  14.859 -1.719  1   28.014 ? 101 VAL A C    1 ? 1 
ATOM   1487 O  O    . VAL A 1 101 ? -14.578 15.19  -2.638  1   26.206 ? 101 VAL A O    1 ? 1 
ATOM   1488 C  CB   . VAL A 1 101 ? -13.843 13.254 -0.438  1   29.181 ? 101 VAL A CB   1 ? 1 
ATOM   1489 C  CG1  . VAL A 1 101 ? -13.563 14.319 0.623   1   32.34  ? 101 VAL A CG1  1 ? 1 
ATOM   1490 C  CG2  . VAL A 1 101 ? -13.753 11.841 0.145   1   30.248 ? 101 VAL A CG2  1 ? 1 
ATOM   1491 H  H    . VAL A 1 101 ? -14.645 12.296 -2.717  1   32.927 ? 101 VAL A H    1 c 1 
ATOM   1492 H  HA   . VAL A 1 101 ? -15.912 13.327 -0.469  1   33.042 ? 101 VAL A HA   1 c 1 
ATOM   1493 H  HB   . VAL A 1 101 ? -13.15  13.336 -1.135  1   32.757 ? 101 VAL A HB   1 c 1 
ATOM   1494 H  HG11 . VAL A 1 101 ? -14.306 14.355 1.249   1   33.226 ? 101 VAL A HG11 1 c 1 
ATOM   1495 H  HG12 . VAL A 1 101 ? -13.457 15.187 0.196   1   32.322 ? 101 VAL A HG12 1 c 1 
ATOM   1496 H  HG13 . VAL A 1 101 ? -12.747 14.093 1.102   1   33.409 ? 101 VAL A HG13 1 c 1 
ATOM   1497 H  HG21 . VAL A 1 101 ? -12.906 11.735 0.61    1   34.64  ? 101 VAL A HG21 1 c 1 
ATOM   1498 H  HG22 . VAL A 1 101 ? -13.811 11.188 -0.572  1   34.447 ? 101 VAL A HG22 1 c 1 
ATOM   1499 H  HG23 . VAL A 1 101 ? -14.484 11.701 0.77    1   34.583 ? 101 VAL A HG23 1 c 1 
ATOM   1500 N  N    . ILE A 1 102 ? -16.263 15.647 -1.151  1   27.459 ? 102 ILE A N    1 ? 1 
ATOM   1501 C  CA   . ILE A 1 102 ? -16.751 16.884 -1.753  1   28.913 ? 102 ILE A CA   1 ? 1 
ATOM   1502 C  C    . ILE A 1 102 ? -16.452 18.107 -0.874  1   28.127 ? 102 ILE A C    1 ? 1 
ATOM   1503 O  O    . ILE A 1 102 ? -16.983 19.192 -1.119  1   27.318 ? 102 ILE A O    1 ? 1 
ATOM   1504 C  CB   . ILE A 1 102 ? -18.258 16.769 -2.082  1   28.852 ? 102 ILE A CB   1 ? 1 
ATOM   1505 C  CG1  . ILE A 1 102 ? -19.167 16.759 -0.845  1   29.851 ? 102 ILE A CG1  1 ? 1 
ATOM   1506 C  CG2  . ILE A 1 102 ? -18.517 15.554 -2.976  1   28.35  ? 102 ILE A CG2  1 ? 1 
ATOM   1507 C  CD1  . ILE A 1 102 ? -20.623 17.099 -1.143  1   28.363 ? 102 ILE A CD1  1 ? 1 
ATOM   1508 H  H    . ILE A 1 102 ? -16.615 15.393 -0.347  1   32.251 ? 102 ILE A H    1 c 1 
ATOM   1509 H  HA   . ILE A 1 102 ? -16.278 17.008 -2.598  1   30.811 ? 102 ILE A HA   1 c 1 
ATOM   1510 H  HB   . ILE A 1 102 ? -18.497 17.562 -2.602  1   31.489 ? 102 ILE A HB   1 c 1 
ATOM   1511 H  HG12 . ILE A 1 102 ? -19.129 15.871 -0.436  1   33.028 ? 102 ILE A HG12 1 c 1 
ATOM   1512 H  HG13 . ILE A 1 102 ? -18.823 17.403 -0.193  1   32.653 ? 102 ILE A HG13 1 c 1 
ATOM   1513 H  HG21 . ILE A 1 102 ? -19.452 15.537 -3.241  1   42.151 ? 102 ILE A HG21 1 c 1 
ATOM   1514 H  HG22 . ILE A 1 102 ? -18.306 14.739 -2.49   1   42.1   ? 102 ILE A HG22 1 c 1 
ATOM   1515 H  HG23 . ILE A 1 102 ? -17.959 15.609 -3.77   1   41.309 ? 102 ILE A HG23 1 c 1 
ATOM   1516 H  HD11 . ILE A 1 102 ? -20.671 17.974 -1.572  1   42.88  ? 102 ILE A HD11 1 c 1 
ATOM   1517 H  HD12 . ILE A 1 102 ? -21.131 17.12  -0.311  1   43.875 ? 102 ILE A HD12 1 c 1 
ATOM   1518 H  HD13 . ILE A 1 102 ? -21.004 16.426 -1.738  1   43.309 ? 102 ILE A HD13 1 c 1 
ATOM   1519 N  N    . GLY A 1 103 ? -15.595 17.93  0.144   1   29.396 ? 103 GLY A N    1 ? 1 
ATOM   1520 C  CA   . GLY A 1 103 ? -15.084 19.047 0.923   1   31.496 ? 103 GLY A CA   1 ? 1 
ATOM   1521 C  C    . GLY A 1 103 ? -15.441 18.937 2.404   1   32.111 ? 103 GLY A C    1 ? 1 
ATOM   1522 O  O    . GLY A 1 103 ? -16.2   18.052 2.777   1   34.574 ? 103 GLY A O    1 ? 1 
ATOM   1523 H  H    . GLY A 1 103 ? -15.318 17.086 0.359   1   31.86  ? 103 GLY A H    1 c 1 
ATOM   1524 H  HA2  . GLY A 1 103 ? -14.106 19.076 0.83    1   31.799 ? 103 GLY A HA2  1 c 1 
ATOM   1525 H  HA3  . GLY A 1 103 ? -15.446 19.888 0.56    1   31.803 ? 103 GLY A HA3  1 c 1 
ATOM   1526 N  N    . GLY A 1 104 ? -14.912 19.835 3.251   1   30.862 ? 104 GLY A N    1 ? 1 
ATOM   1527 C  CA   . GLY A 1 104 ? -14.114 20.998 2.873   1   31.383 ? 104 GLY A CA   1 ? 1 
ATOM   1528 C  C    . GLY A 1 104 ? -12.613 20.763 3.066   1   31.28  ? 104 GLY A C    1 ? 1 
ATOM   1529 O  O    . GLY A 1 104 ? -12.127 19.655 2.86    1   29.412 ? 104 GLY A O    1 ? 1 
ATOM   1530 H  H    . GLY A 1 104 ? -15.064 19.702 4.142   1   34.452 ? 104 GLY A H    1 c 1 
ATOM   1531 H  HA2  . GLY A 1 104 ? -14.291 21.222 1.932   1   32.769 ? 104 GLY A HA2  1 c 1 
ATOM   1532 H  HA3  . GLY A 1 104 ? -14.396 21.764 3.421   1   34.134 ? 104 GLY A HA3  1 c 1 
ATOM   1533 N  N    . ALA A 1 105 ? -11.872 21.829 3.401   1   32.514 ? 105 ALA A N    1 ? 1 
ATOM   1534 C  CA   . ALA A 1 105 ? -10.416 21.765 3.511   1   32.724 ? 105 ALA A CA   1 ? 1 
ATOM   1535 C  C    . ALA A 1 105 ? -9.967  20.661 4.478   1   30.542 ? 105 ALA A C    1 ? 1 
ATOM   1536 O  O    . ALA A 1 105 ? -9.083  19.869 4.166   1   29.58  ? 105 ALA A O    1 ? 1 
ATOM   1537 C  CB   . ALA A 1 105 ? -9.865  23.129 3.927   1   36.069 ? 105 ALA A CB   1 ? 1 
ATOM   1538 H  H    . ALA A 1 105 ? -12.289 22.625 3.568   1   34.552 ? 105 ALA A H    1 c 1 
ATOM   1539 H  HA   . ALA A 1 105 ? -10.056 21.541 2.608   1   46.401 ? 105 ALA A HA   1 c 1 
ATOM   1540 H  HB1  . ALA A 1 105 ? -10.089 23.792 3.253   1   46.915 ? 105 ALA A HB1  1 c 1 
ATOM   1541 H  HB2  . ALA A 1 105 ? -10.253 23.392 4.776   1   48.201 ? 105 ALA A HB2  1 c 1 
ATOM   1542 H  HB3  . ALA A 1 105 ? -8.898  23.077 4.017   1   47.816 ? 105 ALA A HB3  1 c 1 
ATOM   1543 N  N    . GLN A 1 106 ? -10.561 20.595 5.662   1   31.721 ? 106 GLN A N    1 ? 1 
ATOM   1544 C  CA   . GLN A 1 106 ? -10.116 19.616 6.645   1   34.702 ? 106 GLN A CA   1 ? 1 
ATOM   1545 C  C    . GLN A 1 106 ? -10.332 18.185 6.136   1   33.757 ? 106 GLN A C    1 ? 1 
ATOM   1546 O  O    . GLN A 1 106 ? -9.464  17.328 6.304   1   34.864 ? 106 GLN A O    1 ? 1 
ATOM   1547 C  CB   . GLN A 1 106 ? -10.85  19.814 7.969   1   36.938 ? 106 GLN A CB   1 ? 1 
ATOM   1548 C  CG   . GLN A 1 106 ? -10.567 21.15  8.651   1   38.889 ? 106 GLN A CG   1 ? 1 
ATOM   1549 C  CD   . GLN A 1 106 ? -11.185 21.215 10.021  1   41.457 ? 106 GLN A CD   1 ? 1 
ATOM   1550 O  OE1  . GLN A 1 106 ? -11.456 20.194 10.659  1   41.659 ? 106 GLN A OE1  1 ? 1 
ATOM   1551 N  NE2  . GLN A 1 106 ? -11.388 22.428 10.502  1   45.78  ? 106 GLN A NE2  1 ? 1 
ATOM   1552 H  H    . GLN A 1 106 ? -11.248 21.161 5.868   1   36.604 ? 106 GLN A H    1 c 1 
ATOM   1553 H  HA   . GLN A 1 106 ? -9.147  19.751 6.8     1   38.169 ? 106 GLN A HA   1 c 1 
ATOM   1554 H  HB2  . GLN A 1 106 ? -11.812 19.737 7.808   1   38.454 ? 106 GLN A HB2  1 c 1 
ATOM   1555 H  HB3  . GLN A 1 106 ? -10.593 19.088 8.575   1   39.673 ? 106 GLN A HB3  1 c 1 
ATOM   1556 H  HG2  . GLN A 1 106 ? -9.598  21.278 8.73    1   40.618 ? 106 GLN A HG2  1 c 1 
ATOM   1557 H  HG3  . GLN A 1 106 ? -10.923 21.879 8.102   1   39.533 ? 106 GLN A HG3  1 c 1 
ATOM   1558 H  HE21 . GLN A 1 106 ? -11.813 22.529 11.275  1   44.117 ? 106 GLN A HE21 1 c 1 
ATOM   1559 H  HE22 . GLN A 1 106 ? -11.098 23.139 10.058  1   42.709 ? 106 GLN A HE22 1 c 1 
ATOM   1560 N  N    . ILE A 1 107 ? -11.488 17.926 5.516   1   33.092 ? 107 ILE A N    1 ? 1 
ATOM   1561 C  CA   . ILE A 1 107 ? -11.817 16.577 5.076   1   33.147 ? 107 ILE A CA   1 ? 1 
ATOM   1562 C  C    . ILE A 1 107 ? -10.968 16.112 3.882   1   32.063 ? 107 ILE A C    1 ? 1 
ATOM   1563 O  O    . ILE A 1 107 ? -10.648 14.923 3.78    1   33.253 ? 107 ILE A O    1 ? 1 
ATOM   1564 C  CB   . ILE A 1 107 ? -13.332 16.466 4.843   1   32.286 ? 107 ILE A CB   1 ? 1 
ATOM   1565 C  CG1  . ILE A 1 107 ? -14.056 15.903 6.082   1   33.783 ? 107 ILE A CG1  1 ? 1 
ATOM   1566 C  CG2  . ILE A 1 107 ? -13.645 15.601 3.629   1   34.051 ? 107 ILE A CG2  1 ? 1 
ATOM   1567 C  CD1  . ILE A 1 107 ? -13.623 16.465 7.417   1   33.115 ? 107 ILE A CD1  1 ? 1 
ATOM   1568 H  H    . ILE A 1 107 ? -12.084 18.603 5.365   1   35.627 ? 107 ILE A H    1 c 1 
ATOM   1569 H  HA   . ILE A 1 107 ? -11.601 15.979 5.816   1   36.561 ? 107 ILE A HA   1 c 1 
ATOM   1570 H  HB   . ILE A 1 107 ? -13.681 17.363 4.673   1   34.883 ? 107 ILE A HB   1 c 1 
ATOM   1571 H  HG12 . ILE A 1 107 ? -15.015 16.061 5.976   1   36.397 ? 107 ILE A HG12 1 c 1 
ATOM   1572 H  HG13 . ILE A 1 107 ? -13.921 14.933 6.101   1   36.807 ? 107 ILE A HG13 1 c 1 
ATOM   1573 H  HG21 . ILE A 1 107 ? -14.609 15.522 3.528   1   34.324 ? 107 ILE A HG21 1 c 1 
ATOM   1574 H  HG22 . ILE A 1 107 ? -13.263 14.715 3.748   1   34.836 ? 107 ILE A HG22 1 c 1 
ATOM   1575 H  HG23 . ILE A 1 107 ? -13.274 16.01  2.83    1   33.673 ? 107 ILE A HG23 1 c 1 
ATOM   1576 H  HD11 . ILE A 1 107 ? -12.702 16.209 7.615   1   38.195 ? 107 ILE A HD11 1 c 1 
ATOM   1577 H  HD12 . ILE A 1 107 ? -14.21  16.118 8.116   1   38.686 ? 107 ILE A HD12 1 c 1 
ATOM   1578 H  HD13 . ILE A 1 107 ? -13.69  17.439 7.394   1   37.681 ? 107 ILE A HD13 1 c 1 
ATOM   1579 N  N    . TYR A 1 108 ? -10.575 17.028 2.988   1   33.37  ? 108 TYR A N    1 ? 1 
ATOM   1580 C  CA   . TYR A 1 108 ? -9.713  16.686 1.864   1   32.975 ? 108 TYR A CA   1 ? 1 
ATOM   1581 C  C    . TYR A 1 108 ? -8.378  16.146 2.391   1   34.881 ? 108 TYR A C    1 ? 1 
ATOM   1582 O  O    . TYR A 1 108 ? -7.857  15.154 1.875   1   34.063 ? 108 TYR A O    1 ? 1 
ATOM   1583 C  CB   . TYR A 1 108 ? -9.487  17.888 0.935   1   31.423 ? 108 TYR A CB   1 ? 1 
ATOM   1584 C  CG   . TYR A 1 108 ? -10.677 18.372 0.114   1   30.467 ? 108 TYR A CG   1 ? 1 
ATOM   1585 C  CD1  . TYR A 1 108 ? -11.453 17.483 -0.629  1   28.845 ? 108 TYR A CD1  1 ? 1 
ATOM   1586 C  CD2  . TYR A 1 108 ? -11.009 19.732 0.048   1   29.511 ? 108 TYR A CD2  1 ? 1 
ATOM   1587 C  CE1  . TYR A 1 108 ? -12.543 17.917 -1.373  1   28.874 ? 108 TYR A CE1  1 ? 1 
ATOM   1588 C  CE2  . TYR A 1 108 ? -12.088 20.177 -0.708  1   28.492 ? 108 TYR A CE2  1 ? 1 
ATOM   1589 C  CZ   . TYR A 1 108 ? -12.865 19.267 -1.41   1   29.716 ? 108 TYR A CZ   1 ? 1 
ATOM   1590 O  OH   . TYR A 1 108 ? -13.949 19.674 -2.128  1   28.046 ? 108 TYR A OH   1 ? 1 
ATOM   1591 H  H    . TYR A 1 108 ? -10.858 17.892 3.078   1   33.946 ? 108 TYR A H    1 c 1 
ATOM   1592 H  HA   . TYR A 1 108 ? -10.156 15.966 1.342   1   33.477 ? 108 TYR A HA   1 c 1 
ATOM   1593 H  HB2  . TYR A 1 108 ? -9.165  18.637 1.484   1   33.368 ? 108 TYR A HB2  1 c 1 
ATOM   1594 H  HB3  . TYR A 1 108 ? -8.76   17.657 0.316   1   33.033 ? 108 TYR A HB3  1 c 1 
ATOM   1595 H  HD1  . TYR A 1 108 ? -11.254 16.561 -0.601  1   31.835 ? 108 TYR A HD1  1 c 1 
ATOM   1596 H  HD2  . TYR A 1 108 ? -10.495 20.359 0.532   1   32.155 ? 108 TYR A HD2  1 c 1 
ATOM   1597 H  HE1  . TYR A 1 108 ? -13.067 17.296 -1.849  1   30.751 ? 108 TYR A HE1  1 c 1 
ATOM   1598 H  HE2  . TYR A 1 108 ? -12.311 21.093 -0.719  1   31.093 ? 108 TYR A HE2  1 c 1 
ATOM   1599 H  HH   . TYR A 1 108 ? -14.646 19.671 -1.634  0   30     ? 108 TYR A HH   1 c 1 
ATOM   1600 N  N    . LEU A 1 109 ? -7.83   16.781 3.439   1   35.309 ? 109 LEU A N    1 ? 1 
ATOM   1601 C  CA   . LEU A 1 109 ? -6.569  16.319 4.02    1   35.047 ? 109 LEU A CA   1 ? 1 
ATOM   1602 C  C    . LEU A 1 109 ? -6.745  14.932 4.631   1   34.437 ? 109 LEU A C    1 ? 1 
ATOM   1603 O  O    . LEU A 1 109 ? -5.849  14.095 4.506   1   34.268 ? 109 LEU A O    1 ? 1 
ATOM   1604 C  CB   . LEU A 1 109 ? -6.023  17.322 5.026   1   34.19  ? 109 LEU A CB   1 ? 1 
ATOM   1605 C  CG   . LEU A 1 109 ? -5.618  18.674 4.427   1   34.192 ? 109 LEU A CG   1 ? 1 
ATOM   1606 C  CD1  . LEU A 1 109 ? -5.166  19.612 5.524   1   35.383 ? 109 LEU A CD1  1 ? 1 
ATOM   1607 C  CD2  . LEU A 1 109 ? -4.518  18.53  3.387   1   34.418 ? 109 LEU A CD2  1 ? 1 
ATOM   1608 H  H    . LEU A 1 109 ? -8.241  17.516 3.794   1   35.803 ? 109 LEU A H    1 c 1 
ATOM   1609 H  HA   . LEU A 1 109 ? -5.917  16.231 3.28    1   37.445 ? 109 LEU A HA   1 c 1 
ATOM   1610 H  HB2  . LEU A 1 109 ? -6.712  17.478 5.713   1   49.607 ? 109 LEU A HB2  1 c 1 
ATOM   1611 H  HB3  . LEU A 1 109 ? -5.235  16.924 5.464   1   50.721 ? 109 LEU A HB3  1 c 1 
ATOM   1612 H  HG   . LEU A 1 109 ? -6.413  19.07  3.986   1   37.018 ? 109 LEU A HG   1 c 1 
ATOM   1613 H  HD11 . LEU A 1 109 ? -5.893  19.748 6.155   1   39.564 ? 109 LEU A HD11 1 c 1 
ATOM   1614 H  HD12 . LEU A 1 109 ? -4.911  20.466 5.137   1   39.382 ? 109 LEU A HD12 1 c 1 
ATOM   1615 H  HD13 . LEU A 1 109 ? -4.404  19.227 5.988   1   40.729 ? 109 LEU A HD13 1 c 1 
ATOM   1616 H  HD21 . LEU A 1 109 ? -4.86   18.049 2.614   1   37.365 ? 109 LEU A HD21 1 c 1 
ATOM   1617 H  HD22 . LEU A 1 109 ? -3.771  18.038 3.769   1   39.396 ? 109 LEU A HD22 1 c 1 
ATOM   1618 H  HD23 . LEU A 1 109 ? -4.216  19.411 3.11    1   38.188 ? 109 LEU A HD23 1 c 1 
ATOM   1619 N  N    . LEU A 1 110 ? -7.908  14.675 5.239   1   34.111 ? 110 LEU A N    1 ? 1 
ATOM   1620 C  CA   . LEU A 1 110 ? -8.174  13.356 5.805   1   38.524 ? 110 LEU A CA   1 ? 1 
ATOM   1621 C  C    . LEU A 1 110 ? -8.233  12.295 4.711   1   37.625 ? 110 LEU A C    1 ? 1 
ATOM   1622 O  O    . LEU A 1 110 ? -7.822  11.169 4.937   1   39.662 ? 110 LEU A O    1 ? 1 
ATOM   1623 C  CB   . LEU A 1 110 ? -9.48   13.309 6.598   1   39.747 ? 110 LEU A CB   1 ? 1 
ATOM   1624 C  CG   . LEU A 1 110 ? -9.49   14.037 7.934   1   42.142 ? 110 LEU A CG   1 ? 1 
ATOM   1625 C  CD1  . LEU A 1 110 ? -10.9   13.927 8.535   1   44.69  ? 110 LEU A CD1  1 ? 1 
ATOM   1626 C  CD2  . LEU A 1 110 ? -8.434  13.476 8.863   1   43.921 ? 110 LEU A CD2  1 ? 1 
ATOM   1627 H  H    . LEU A 1 110 ? -8.543  15.328 5.313   1   37.616 ? 110 LEU A H    1 c 1 
ATOM   1628 H  HA   . LEU A 1 110 ? -7.423  13.127 6.408   1   40.501 ? 110 LEU A HA   1 c 1 
ATOM   1629 H  HB2  . LEU A 1 110 ? -10.194 13.688 6.035   1   38.176 ? 110 LEU A HB2  1 c 1 
ATOM   1630 H  HB3  . LEU A 1 110 ? -9.707  12.365 6.76    1   39.884 ? 110 LEU A HB3  1 c 1 
ATOM   1631 H  HG   . LEU A 1 110 ? -9.29   14.995 7.772   1   39.872 ? 110 LEU A HG   1 c 1 
ATOM   1632 H  HD11 . LEU A 1 110 ? -11.549 14.285 7.907   1   39.369 ? 110 LEU A HD11 1 c 1 
ATOM   1633 H  HD12 . LEU A 1 110 ? -10.939 14.432 9.363   1   41.258 ? 110 LEU A HD12 1 c 1 
ATOM   1634 H  HD13 . LEU A 1 110 ? -11.105 12.994 8.715   1   41.047 ? 110 LEU A HD13 1 c 1 
ATOM   1635 H  HD21 . LEU A 1 110 ? -7.55   13.689 8.52    1   42.392 ? 110 LEU A HD21 1 c 1 
ATOM   1636 H  HD22 . LEU A 1 110 ? -8.534  12.51  8.923   1   42.847 ? 110 LEU A HD22 1 c 1 
ATOM   1637 H  HD23 . LEU A 1 110 ? -8.54   13.867 9.747   1   43.153 ? 110 LEU A HD23 1 c 1 
ATOM   1638 N  N    . ALA A 1 111 ? -8.815  12.643 3.561   1   36.292 ? 111 ALA A N    1 ? 1 
ATOM   1639 C  CA   . ALA A 1 111 ? -9.129  11.692 2.503   1   34.927 ? 111 ALA A CA   1 ? 1 
ATOM   1640 C  C    . ALA A 1 111 ? -7.943  11.449 1.582   1   37.228 ? 111 ALA A C    1 ? 1 
ATOM   1641 O  O    . ALA A 1 111 ? -7.832  10.378 0.967   1   37.901 ? 111 ALA A O    1 ? 1 
ATOM   1642 C  CB   . ALA A 1 111 ? -10.272 12.223 1.685   1   33.318 ? 111 ALA A CB   1 ? 1 
ATOM   1643 H  H    . ALA A 1 111 ? -9.034  13.52  3.43    1   36.62  ? 111 ALA A H    1 c 1 
ATOM   1644 H  HA   . ALA A 1 111 ? -9.387  10.829 2.915   1   38     ? 111 ALA A HA   1 c 1 
ATOM   1645 H  HB1  . ALA A 1 111 ? -11.049 12.353 2.254   1   35.614 ? 111 ALA A HB1  1 c 1 
ATOM   1646 H  HB2  . ALA A 1 111 ? -10.021 13.072 1.285   1   34.986 ? 111 ALA A HB2  1 c 1 
ATOM   1647 H  HB3  . ALA A 1 111 ? -10.492 11.59  0.981   1   35.689 ? 111 ALA A HB3  1 c 1 
ATOM   1648 N  N    . LEU A 1 112 ? -7.102  12.478 1.448   1   35.151 ? 112 LEU A N    1 ? 1 
ATOM   1649 C  CA   . LEU A 1 112 ? -6.038  12.467 0.464   1   36.758 ? 112 LEU A CA   1 ? 1 
ATOM   1650 C  C    . LEU A 1 112 ? -5.25   11.156 0.494   1   39.383 ? 112 LEU A C    1 ? 1 
ATOM   1651 O  O    . LEU A 1 112 ? -4.896  10.69  -0.581  1   37.711 ? 112 LEU A O    1 ? 1 
ATOM   1652 C  CB   . LEU A 1 112 ? -5.1    13.67  0.604   1   37.069 ? 112 LEU A CB   1 ? 1 
ATOM   1653 C  CG   . LEU A 1 112 ? -4.108  13.868 -0.547  1   38.601 ? 112 LEU A CG   1 ? 1 
ATOM   1654 C  CD1  . LEU A 1 112 ? -4.809  14.062 -1.884  1   36.064 ? 112 LEU A CD1  1 ? 1 
ATOM   1655 C  CD2  . LEU A 1 112 ? -3.207  15.06  -0.264  1   39.105 ? 112 LEU A CD2  1 ? 1 
ATOM   1656 H  H    . LEU A 1 112 ? -7.196  13.212 1.984   1   37.05  ? 112 LEU A H    1 c 1 
ATOM   1657 H  HA   . LEU A 1 112 ? -6.473  12.519 -0.423  1   36.899 ? 112 LEU A HA   1 c 1 
ATOM   1658 H  HB2  . LEU A 1 112 ? -5.65   14.482 0.683   1   36.8   ? 112 LEU A HB2  1 c 1 
ATOM   1659 H  HB3  . LEU A 1 112 ? -4.59   13.567 1.44    1   38.83  ? 112 LEU A HB3  1 c 1 
ATOM   1660 H  HG   . LEU A 1 112 ? -3.538  13.059 -0.611  1   39.336 ? 112 LEU A HG   1 c 1 
ATOM   1661 H  HD11 . LEU A 1 112 ? -5.269  13.243 -2.135  1   36.847 ? 112 LEU A HD11 1 c 1 
ATOM   1662 H  HD12 . LEU A 1 112 ? -4.152  14.283 -2.566  1   37.12  ? 112 LEU A HD12 1 c 1 
ATOM   1663 H  HD13 . LEU A 1 112 ? -5.454  14.786 -1.811  1   35.721 ? 112 LEU A HD13 1 c 1 
ATOM   1664 H  HD21 . LEU A 1 112 ? -2.709  14.903 0.556   1   39.611 ? 112 LEU A HD21 1 c 1 
ATOM   1665 H  HD22 . LEU A 1 112 ? -3.749  15.861 -0.164  1   37.532 ? 112 LEU A HD22 1 c 1 
ATOM   1666 H  HD23 . LEU A 1 112 ? -2.585  15.181 -1.001  1   38.868 ? 112 LEU A HD23 1 c 1 
ATOM   1667 N  N    . PRO A 1 113 ? -4.914  10.529 1.656   1   40.715 ? 113 PRO A N    1 ? 1 
ATOM   1668 C  CA   . PRO A 1 113 ? -4.13   9.286  1.637   1   43.101 ? 113 PRO A CA   1 ? 1 
ATOM   1669 C  C    . PRO A 1 113 ? -4.863  8.082  1.039   1   43.811 ? 113 PRO A C    1 ? 1 
ATOM   1670 O  O    . PRO A 1 113 ? -4.21   7.154  0.578   1   46.074 ? 113 PRO A O    1 ? 1 
ATOM   1671 C  CB   . PRO A 1 113 ? -3.719  9.024  3.111   1   45.951 ? 113 PRO A CB   1 ? 1 
ATOM   1672 C  CG   . PRO A 1 113 ? -4.112  10.291 3.855   1   45.509 ? 113 PRO A CG   1 ? 1 
ATOM   1673 C  CD   . PRO A 1 113 ? -5.218  10.968 3.027   1   40.493 ? 113 PRO A CD   1 ? 1 
ATOM   1674 H  HA   . PRO A 1 113 ? -3.311  9.456  1.107   1   43.741 ? 113 PRO A HA   1 c 1 
ATOM   1675 H  HB2  . PRO A 1 113 ? -4.196  8.242  3.476   1   45.429 ? 113 PRO A HB2  1 c 1 
ATOM   1676 H  HB3  . PRO A 1 113 ? -2.749  8.864  3.181   1   46.282 ? 113 PRO A HB3  1 c 1 
ATOM   1677 H  HG2  . PRO A 1 113 ? -4.444  10.072 4.751   1   44.136 ? 113 PRO A HG2  1 c 1 
ATOM   1678 H  HG3  . PRO A 1 113 ? -3.341  10.888 3.947   1   44.017 ? 113 PRO A HG3  1 c 1 
ATOM   1679 H  HD2  . PRO A 1 113 ? -6.105  10.661 3.309   1   40.843 ? 113 PRO A HD2  1 c 1 
ATOM   1680 H  HD3  . PRO A 1 113 ? -5.169  11.946 3.107   1   40.5   ? 113 PRO A HD3  1 c 1 
ATOM   1681 N  N    . HIS A 1 114 ? -6.206  8.1    1.05    1   41.622 ? 114 HIS A N    1 ? 1 
ATOM   1682 C  CA   . HIS A 1 114 ? -7.043  7.071  0.437   1   42.002 ? 114 HIS A CA   1 ? 1 
ATOM   1683 C  C    . HIS A 1 114 ? -7.284  7.284  -1.075  1   39.348 ? 114 HIS A C    1 ? 1 
ATOM   1684 O  O    . HIS A 1 114 ? -7.7    6.363  -1.776  1   38.177 ? 114 HIS A O    1 ? 1 
ATOM   1685 C  CB   . HIS A 1 114 ? -8.383  7.043  1.186   1   41.694 ? 114 HIS A CB   1 ? 1 
ATOM   1686 C  CG   . HIS A 1 114 ? -8.272  6.694  2.634   1   45.254 ? 114 HIS A CG   1 ? 1 
ATOM   1687 N  ND1  . HIS A 1 114 ? -8.4    5.396  3.078   1   48.622 ? 114 HIS A ND1  1 ? 1 
ATOM   1688 C  CD2  . HIS A 1 114 ? -8.06   7.436  3.731   1   47.326 ? 114 HIS A CD2  1 ? 1 
ATOM   1689 C  CE1  . HIS A 1 114 ? -8.257  5.363  4.394   1   50.759 ? 114 HIS A CE1  1 ? 1 
ATOM   1690 N  NE2  . HIS A 1 114 ? -8.035  6.587  4.811   1   49.906 ? 114 HIS A NE2  1 ? 1 
ATOM   1691 H  H    . HIS A 1 114 ? -6.625  8.794  1.472   1   41.17  ? 114 HIS A H    1 c 1 
ATOM   1692 H  HA   . HIS A 1 114 ? -6.596  6.197  0.559   1   44.042 ? 114 HIS A HA   1 c 1 
ATOM   1693 H  HB2  . HIS A 1 114 ? -8.807  7.925  1.104   1   40.304 ? 114 HIS A HB2  1 c 1 
ATOM   1694 H  HB3  . HIS A 1 114 ? -8.973  6.392  0.748   1   41.968 ? 114 HIS A HB3  1 c 1 
ATOM   1695 H  HD1  . HIS A 1 114 ? -8.558  4.695  2.56    0   30     ? 114 HIS A HD1  1 c 1 
ATOM   1696 H  HD2  . HIS A 1 114 ? -7.923  8.362  3.761   1   41.948 ? 114 HIS A HD2  1 c 1 
ATOM   1697 H  HE1  . HIS A 1 114 ? -8.298  4.593  4.935   1   47.292 ? 114 HIS A HE1  1 c 1 
ATOM   1698 H  HE2  . HIS A 1 114 ? -7.889  6.82   5.644   0   30     ? 114 HIS A HE2  1 c 1 
ATOM   1699 N  N    . ALA A 1 115 ? -7.015  8.495  -1.586  1   36.064 ? 115 ALA A N    1 ? 1 
ATOM   1700 C  CA   . ALA A 1 115 ? -7.507  8.963  -2.871  1   35.511 ? 115 ALA A CA   1 ? 1 
ATOM   1701 C  C    . ALA A 1 115 ? -6.663  8.464  -4.038  1   36.451 ? 115 ALA A C    1 ? 1 
ATOM   1702 O  O    . ALA A 1 115 ? -5.432  8.437  -3.946  1   36.678 ? 115 ALA A O    1 ? 1 
ATOM   1703 C  CB   . ALA A 1 115 ? -7.513  10.484 -2.888  1   35.538 ? 115 ALA A CB   1 ? 1 
ATOM   1704 H  H    . ALA A 1 115 ? -6.486  9.061  -1.102  1   39.972 ? 115 ALA A H    1 c 1 
ATOM   1705 H  HA   . ALA A 1 115 ? -8.438  8.63   -2.987  1   38.537 ? 115 ALA A HA   1 c 1 
ATOM   1706 H  HB1  . ALA A 1 115 ? -8.087  10.817 -2.178  1   36.576 ? 115 ALA A HB1  1 c 1 
ATOM   1707 H  HB2  . ALA A 1 115 ? -6.61   10.816 -2.754  1   37.608 ? 115 ALA A HB2  1 c 1 
ATOM   1708 H  HB3  . ALA A 1 115 ? -7.847  10.8   -3.745  1   36.507 ? 115 ALA A HB3  1 c 1 
ATOM   1709 N  N    . THR A 1 116 ? -7.359  8.147  -5.149  1   36.088 ? 116 THR A N    1 ? 1 
ATOM   1710 C  CA   . THR A 1 116 ? -6.747  7.75   -6.407  1   36.09  ? 116 THR A CA   1 ? 1 
ATOM   1711 C  C    . THR A 1 116 ? -7.26   8.618  -7.548  1   34.208 ? 116 THR A C    1 ? 1 
ATOM   1712 O  O    . THR A 1 116 ? -6.83   8.44   -8.677  1   34.844 ? 116 THR A O    1 ? 1 
ATOM   1713 C  CB   . THR A 1 116 ? -7.002  6.271  -6.708  1   40.048 ? 116 THR A CB   1 ? 1 
ATOM   1714 O  OG1  . THR A 1 116 ? -8.368  6.037  -6.377  1   39.734 ? 116 THR A OG1  1 ? 1 
ATOM   1715 C  CG2  . THR A 1 116 ? -6.072  5.359  -5.928  1   43.441 ? 116 THR A CG2  1 ? 1 
ATOM   1716 H  H    . THR A 1 116 ? -8.272  8.152  -5.1    1   39.176 ? 116 THR A H    1 c 1 
ATOM   1717 H  HA   . THR A 1 116 ? -5.777  7.883  -6.331  1   41.783 ? 116 THR A HA   1 c 1 
ATOM   1718 H  HB   . THR A 1 116 ? -6.87   6.101  -7.672  1   43.657 ? 116 THR A HB   1 c 1 
ATOM   1719 H  HG1  . THR A 1 116 ? -8.497  6.214  -5.54   0   30     ? 116 THR A HG1  1 c 1 
ATOM   1720 H  HG21 . THR A 1 116 ? -6.267  4.432  -6.147  1   46.498 ? 116 THR A HG21 1 c 1 
ATOM   1721 H  HG22 . THR A 1 116 ? -6.202  5.5    -4.975  1   44.651 ? 116 THR A HG22 1 c 1 
ATOM   1722 H  HG23 . THR A 1 116 ? -5.15   5.559  -6.161  1   45.805 ? 116 THR A HG23 1 c 1 
ATOM   1723 N  N    . ARG A 1 117 ? -8.139  9.575  -7.261  1   32.176 ? 117 ARG A N    1 ? 1 
ATOM   1724 C  CA   . ARG A 1 117 ? -8.609  10.486 -8.286  1   32.746 ? 117 ARG A CA   1 ? 1 
ATOM   1725 C  C    . ARG A 1 117 ? -8.955  11.855 -7.704  1   30.762 ? 117 ARG A C    1 ? 1 
ATOM   1726 O  O    . ARG A 1 117 ? -9.517  11.953 -6.616  1   29.434 ? 117 ARG A O    1 ? 1 
ATOM   1727 C  CB   . ARG A 1 117 ? -9.815  9.778  -8.901  1   37.272 ? 117 ARG A CB   1 ? 1 
ATOM   1728 C  CG   . ARG A 1 117 ? -10.368 10.508 -10.102 1   41.48  ? 117 ARG A CG   1 ? 1 
ATOM   1729 C  CD   . ARG A 1 117 ? -11.373 9.629  -10.827 1   45.521 ? 117 ARG A CD   1 ? 1 
ATOM   1730 N  NE   . ARG A 1 117 ? -11.85  10.471 -11.928 1   46.729 ? 117 ARG A NE   1 ? 1 
ATOM   1731 C  CZ   . ARG A 1 117 ? -13.009 10.365 -12.535 1   47.351 ? 117 ARG A CZ   1 ? 1 
ATOM   1732 N  NH1  . ARG A 1 117 ? -13.89  9.489  -12.114 1   51.119 ? 117 ARG A NH1  1 ? 1 
ATOM   1733 N  NH2  . ARG A 1 117 ? -13.279 11.139 -13.569 1   50.477 ? 117 ARG A NH2  1 ? 1 
ATOM   1734 H  H    . ARG A 1 117 ? -8.453  9.671  -6.409  1   37.352 ? 117 ARG A H    1 c 1 
ATOM   1735 H  HA   . ARG A 1 117 ? -7.901  10.592 -8.968  1   37.333 ? 117 ARG A HA   1 c 1 
ATOM   1736 H  HB2  . ARG A 1 117 ? -9.553  8.872  -9.172  1   38.371 ? 117 ARG A HB2  1 c 1 
ATOM   1737 H  HB3  . ARG A 1 117 ? -10.52  9.698  -8.223  1   36.557 ? 117 ARG A HB3  1 c 1 
ATOM   1738 H  HG2  . ARG A 1 117 ? -10.811 11.336 -9.811  1   48.386 ? 117 ARG A HG2  1 c 1 
ATOM   1739 H  HG3  . ARG A 1 117 ? -9.635  10.74  -10.713 1   49.973 ? 117 ARG A HG3  1 c 1 
ATOM   1740 H  HD2  . ARG A 1 117 ? -10.957 8.816  -11.178 1   55.107 ? 117 ARG A HD2  1 c 1 
ATOM   1741 H  HD3  . ARG A 1 117 ? -12.113 9.392  -10.236 1   53.517 ? 117 ARG A HD3  1 c 1 
ATOM   1742 H  HE   . ARG A 1 117 ? -11.317 11.099 -12.212 1   49.944 ? 117 ARG A HE   1 c 1 
ATOM   1743 H  HH11 . ARG A 1 117 ? -13.648 8.821  -11.579 1   52.933 ? 117 ARG A HH11 1 c 1 
ATOM   1744 H  HH12 . ARG A 1 117 ? -14.738 9.567  -12.376 1   52.395 ? 117 ARG A HH12 1 c 1 
ATOM   1745 H  HH21 . ARG A 1 117 ? -12.68  11.722 -13.855 1   50.312 ? 117 ARG A HH21 1 c 1 
ATOM   1746 H  HH22 . ARG A 1 117 ? -14.061 11.072 -13.976 1   50.917 ? 117 ARG A HH22 1 c 1 
ATOM   1747 N  N    . CYS A 1 118 ? -8.637  12.907 -8.466  1   30.715 ? 118 CYS A N    1 ? 1 
ATOM   1748 C  CA   . CYS A 1 118 ? -8.972  14.28  -8.116  1   30.21  ? 118 CYS A CA   1 ? 1 
ATOM   1749 C  C    . CYS A 1 118 ? -9.516  14.959 -9.37   1   29.737 ? 118 CYS A C    1 ? 1 
ATOM   1750 O  O    . CYS A 1 118 ? -8.948  14.844 -10.452 1   31.795 ? 118 CYS A O    1 ? 1 
ATOM   1751 C  CB   . CYS A 1 118 ? -7.785  15.099 -7.6    1   31.839 ? 118 CYS A CB   1 ? 1 
ATOM   1752 S  SG   . CYS A 1 118 ? -7.061  14.518 -6.037  1   36.144 ? 118 CYS A SG   1 ? 1 
ATOM   1753 H  H    . CYS A 1 118 ? -8.185  12.76  -9.247  1   35.069 ? 118 CYS A H    1 c 1 
ATOM   1754 H  HA   . CYS A 1 118 ? -9.68   14.262 -7.429  1   32.58  ? 118 CYS A HA   1 c 1 
ATOM   1755 H  HB2  . CYS A 1 118 ? -7.079  15.096 -8.283  1   33.776 ? 118 CYS A HB2  1 c 1 
ATOM   1756 H  HB3  . CYS A 1 118 ? -8.074  16.03  -7.475  1   32.392 ? 118 CYS A HB3  1 c 1 
ATOM   1757 H  HG   . CYS A 1 118 ? -6.197  15.36  -5.938  0   30     ? 118 CYS A HG   1 c 1 
ATOM   1758 N  N    . GLU A 1 119 ? -10.646 15.637 -9.206  1   28.705 ? 119 GLU A N    1 ? 1 
ATOM   1759 C  CA   . GLU A 1 119 ? -11.241 16.446 -10.249 1   28.654 ? 119 GLU A CA   1 ? 1 
ATOM   1760 C  C    . GLU A 1 119 ? -11.312 17.878 -9.744  1   27.253 ? 119 GLU A C    1 ? 1 
ATOM   1761 O  O    . GLU A 1 119 ? -12.041 18.156 -8.812  1   27.839 ? 119 GLU A O    1 ? 1 
ATOM   1762 C  CB   . GLU A 1 119 ? -12.625 15.88  -10.588 1   31.284 ? 119 GLU A CB   1 ? 1 
ATOM   1763 C  CG   . GLU A 1 119 ? -12.556 14.491 -11.229 1   32.691 ? 119 GLU A CG   1 ? 1 
ATOM   1764 C  CD   . GLU A 1 119 ? -11.973 14.453 -12.626 1   32.742 ? 119 GLU A CD   1 ? 1 
ATOM   1765 O  OE1  . GLU A 1 119 ? -11.905 15.485 -13.332 1   34.348 ? 119 GLU A OE1  1 ? 1 
ATOM   1766 O  OE2  . GLU A 1 119 ? -11.518 13.364 -12.973 1   33.157 ? 119 GLU A OE2  1 ? 1 
ATOM   1767 H  H    . GLU A 1 119 ? -11.073 15.592 -8.399  1   31.358 ? 119 GLU A H    1 c 1 
ATOM   1768 H  HA   . GLU A 1 119 ? -10.664 16.412 -11.052 1   31.889 ? 119 GLU A HA   1 c 1 
ATOM   1769 H  HB2  . GLU A 1 119 ? -13.155 15.828 -9.765  1   31.156 ? 119 GLU A HB2  1 c 1 
ATOM   1770 H  HB3  . GLU A 1 119 ? -13.079 16.498 -11.198 1   31.36  ? 119 GLU A HB3  1 c 1 
ATOM   1771 H  HG2  . GLU A 1 119 ? -12.02  13.903 -10.655 1   32.929 ? 119 GLU A HG2  1 c 1 
ATOM   1772 H  HG3  . GLU A 1 119 ? -13.462 14.115 -11.263 1   32.81  ? 119 GLU A HG3  1 c 1 
ATOM   1773 N  N    . VAL A 1 120 ? -10.545 18.767 -10.362 1   27.239 ? 120 VAL A N    1 ? 1 
ATOM   1774 C  CA   . VAL A 1 120 ? -10.371 20.12  -9.869  1   27.699 ? 120 VAL A CA   1 ? 1 
ATOM   1775 C  C    . VAL A 1 120 ? -10.838 21.081 -10.951 1   28.443 ? 120 VAL A C    1 ? 1 
ATOM   1776 O  O    . VAL A 1 120 ? -10.387 20.986 -12.097 1   27.894 ? 120 VAL A O    1 ? 1 
ATOM   1777 C  CB   . VAL A 1 120 ? -8.907  20.439 -9.484  1   28.47  ? 120 VAL A CB   1 ? 1 
ATOM   1778 C  CG1  . VAL A 1 120 ? -8.754  21.84  -8.888  1   27.485 ? 120 VAL A CG1  1 ? 1 
ATOM   1779 C  CG2  . VAL A 1 120 ? -8.338  19.4   -8.526  1   30.4   ? 120 VAL A CG2  1 ? 1 
ATOM   1780 H  H    . VAL A 1 120 ? -10.11  18.523 -11.128 1   31.209 ? 120 VAL A H    1 c 1 
ATOM   1781 H  HA   . VAL A 1 120 ? -10.93  20.238 -9.08   1   29.954 ? 120 VAL A HA   1 c 1 
ATOM   1782 H  HB   . VAL A 1 120 ? -8.375  20.406 -10.313 1   31.273 ? 120 VAL A HB   1 c 1 
ATOM   1783 H  HG11 . VAL A 1 120 ? -9.341  21.932 -8.119  1   30.315 ? 120 VAL A HG11 1 c 1 
ATOM   1784 H  HG12 . VAL A 1 120 ? -8.989  22.507 -9.555  1   30.694 ? 120 VAL A HG12 1 c 1 
ATOM   1785 H  HG13 . VAL A 1 120 ? -7.833  21.975 -8.609  1   31.121 ? 120 VAL A HG13 1 c 1 
ATOM   1786 H  HG21 . VAL A 1 120 ? -7.442  19.664 -8.255  1   31.535 ? 120 VAL A HG21 1 c 1 
ATOM   1787 H  HG22 . VAL A 1 120 ? -8.299  18.536 -8.969  1   31.427 ? 120 VAL A HG22 1 c 1 
ATOM   1788 H  HG23 . VAL A 1 120 ? -8.908  19.335 -7.742  1   30.703 ? 120 VAL A HG23 1 c 1 
ATOM   1789 N  N    . THR A 1 121 ? -11.709 22.012 -10.546 1   27.606 ? 121 THR A N    1 ? 1 
ATOM   1790 C  CA   . THR A 1 121 ? -12.03  23.181 -11.346 1   28.912 ? 121 THR A CA   1 ? 1 
ATOM   1791 C  C    . THR A 1 121 ? -11.171 24.34  -10.864 1   28.255 ? 121 THR A C    1 ? 1 
ATOM   1792 O  O    . THR A 1 121 ? -11.298 24.718 -9.714  1   28.888 ? 121 THR A O    1 ? 1 
ATOM   1793 C  CB   . THR A 1 121 ? -13.496 23.586 -11.195 1   29.133 ? 121 THR A CB   1 ? 1 
ATOM   1794 O  OG1  . THR A 1 121 ? -14.342 22.47  -11.454 1   29.983 ? 121 THR A OG1  1 ? 1 
ATOM   1795 C  CG2  . THR A 1 121 ? -13.824 24.72  -12.149 1   30.448 ? 121 THR A CG2  1 ? 1 
ATOM   1796 H  H    . THR A 1 121 ? -12.123 21.912 -9.737  1   29.785 ? 121 THR A H    1 c 1 
ATOM   1797 H  HA   . THR A 1 121 ? -11.839 22.995 -12.29  1   30.71  ? 121 THR A HA   1 c 1 
ATOM   1798 H  HB   . THR A 1 121 ? -13.656 23.898 -10.272 1   30.148 ? 121 THR A HB   1 c 1 
ATOM   1799 H  HG1  . THR A 1 121 ? -14.21  22.186 -12.255 0   30     ? 121 THR A HG1  1 c 1 
ATOM   1800 H  HG21 . THR A 1 121 ? -14.775 24.918 -12.103 1   31.128 ? 121 THR A HG21 1 c 1 
ATOM   1801 H  HG22 . THR A 1 121 ? -13.593 24.457 -13.057 1   31.235 ? 121 THR A HG22 1 c 1 
ATOM   1802 H  HG23 . THR A 1 121 ? -13.318 25.512 -11.903 1   31.102 ? 121 THR A HG23 1 c 1 
ATOM   1803 N  N    . GLU A 1 122 ? -10.334 24.909 -11.735 1   26.425 ? 122 GLU A N    1 ? 1 
ATOM   1804 C  CA   . GLU A 1 122 ? -9.589  26.104 -11.394 1   26.715 ? 122 GLU A CA   1 ? 1 
ATOM   1805 C  C    . GLU A 1 122 ? -10.333 27.335 -11.905 1   27.134 ? 122 GLU A C    1 ? 1 
ATOM   1806 O  O    . GLU A 1 122 ? -10.647 27.399 -13.092 1   27.83  ? 122 GLU A O    1 ? 1 
ATOM   1807 C  CB   . GLU A 1 122 ? -8.201  26.076 -12.018 1   27.03  ? 122 GLU A CB   1 ? 1 
ATOM   1808 C  CG   . GLU A 1 122 ? -7.346  27.289 -11.658 1   29.767 ? 122 GLU A CG   1 ? 1 
ATOM   1809 C  CD   . GLU A 1 122 ? -6.004  27.201 -12.373 1   31.37  ? 122 GLU A CD   1 ? 1 
ATOM   1810 O  OE1  . GLU A 1 122 ? -5.686  26.256 -13.139 1   30.373 ? 122 GLU A OE1  1 ? 1 
ATOM   1811 O  OE2  . GLU A 1 122 ? -5.265  28.151 -12.146 1   31.365 ? 122 GLU A OE2  1 ? 1 
ATOM   1812 H  H    . GLU A 1 122 ? -10.225 24.541 -12.565 1   31.439 ? 122 GLU A H    1 c 1 
ATOM   1813 H  HA   . GLU A 1 122 ? -9.501  26.156 -10.41  1   31.545 ? 122 GLU A HA   1 c 1 
ATOM   1814 H  HB2  . GLU A 1 122 ? -7.74   25.263 -11.725 1   32.363 ? 122 GLU A HB2  1 c 1 
ATOM   1815 H  HB3  . GLU A 1 122 ? -8.296  26.031 -12.992 1   32.791 ? 122 GLU A HB3  1 c 1 
ATOM   1816 H  HG2  . GLU A 1 122 ? -7.803  28.113 -11.929 1   33.603 ? 122 GLU A HG2  1 c 1 
ATOM   1817 H  HG3  . GLU A 1 122 ? -7.196  27.313 -10.689 1   33.2   ? 122 GLU A HG3  1 c 1 
ATOM   1818 N  N    . ILE A 1 123 ? -10.538 28.318 -11.017 1   26.891 ? 123 ILE A N    1 ? 1 
ATOM   1819 C  CA   . ILE A 1 123 ? -11.227 29.567 -11.334 1   29.481 ? 123 ILE A CA   1 ? 1 
ATOM   1820 C  C    . ILE A 1 123 ? -10.203 30.703 -11.409 1   30.325 ? 123 ILE A C    1 ? 1 
ATOM   1821 O  O    . ILE A 1 123 ? -9.487  30.985 -10.451 1   30.481 ? 123 ILE A O    1 ? 1 
ATOM   1822 C  CB   . ILE A 1 123 ? -12.315 29.919 -10.292 1   31.871 ? 123 ILE A CB   1 ? 1 
ATOM   1823 C  CG1  . ILE A 1 123 ? -13.233 28.739 -9.945  1   31.94  ? 123 ILE A CG1  1 ? 1 
ATOM   1824 C  CG2  . ILE A 1 123 ? -13.121 31.158 -10.711 1   32.501 ? 123 ILE A CG2  1 ? 1 
ATOM   1825 C  CD1  . ILE A 1 123 ? -14.131 28.289 -11.063 1   32.139 ? 123 ILE A CD1  1 ? 1 
ATOM   1826 H  H    . ILE A 1 123 ? -10.229 28.204 -10.164 1   32.364 ? 123 ILE A H    1 c 1 
ATOM   1827 H  HA   . ILE A 1 123 ? -11.657 29.474 -12.206 1   33.448 ? 123 ILE A HA   1 c 1 
ATOM   1828 H  HB   . ILE A 1 123 ? -11.844 30.156 -9.468  1   33.509 ? 123 ILE A HB   1 c 1 
ATOM   1829 H  HG12 . ILE A 1 123 ? -12.68  27.983 -9.664  1   31.865 ? 123 ILE A HG12 1 c 1 
ATOM   1830 H  HG13 . ILE A 1 123 ? -13.792 28.996 -9.183  1   32.63  ? 123 ILE A HG13 1 c 1 
ATOM   1831 H  HG21 . ILE A 1 123 ? -13.853 31.297 -10.085 1   34.724 ? 123 ILE A HG21 1 c 1 
ATOM   1832 H  HG22 . ILE A 1 123 ? -13.482 31.027 -11.604 1   34.637 ? 123 ILE A HG22 1 c 1 
ATOM   1833 H  HG23 . ILE A 1 123 ? -12.545 31.941 -10.709 1   35.293 ? 123 ILE A HG23 1 c 1 
ATOM   1834 H  HD11 . ILE A 1 123 ? -14.737 29.01  -11.312 1   33.112 ? 123 ILE A HD11 1 c 1 
ATOM   1835 H  HD12 . ILE A 1 123 ? -14.651 27.517 -10.77  1   31.956 ? 123 ILE A HD12 1 c 1 
ATOM   1836 H  HD13 . ILE A 1 123 ? -13.59  28.039 -11.837 1   32.38  ? 123 ILE A HD13 1 c 1 
ATOM   1837 N  N    . GLU A 1 124 ? -10.166 31.389 -12.554 1   31.593 ? 124 GLU A N    1 ? 1 
ATOM   1838 C  CA   . GLU A 1 124 ? -9.308  32.548 -12.732 1   32.693 ? 124 GLU A CA   1 ? 1 
ATOM   1839 C  C    . GLU A 1 124 ? -9.937  33.746 -12.028 1   33.057 ? 124 GLU A C    1 ? 1 
ATOM   1840 O  O    . GLU A 1 124 ? -10.667 34.509 -12.638 1   36.294 ? 124 GLU A O    1 ? 1 
ATOM   1841 C  CB   . GLU A 1 124 ? -9.075  32.777 -14.224 1   33.354 ? 124 GLU A CB   1 ? 1 
ATOM   1842 C  CG   . GLU A 1 124 ? -8.064  33.873 -14.511 1   38.03  ? 124 GLU A CG   1 ? 1 
ATOM   1843 C  CD   . GLU A 1 124 ? -7.944  34.106 -16     1   42.07  ? 124 GLU A CD   1 ? 1 
ATOM   1844 O  OE1  . GLU A 1 124 ? -8.862  34.676 -16.644 1   43.716 ? 124 GLU A OE1  1 ? 1 
ATOM   1845 O  OE2  . GLU A 1 124 ? -6.915  33.649 -16.511 1   45.657 ? 124 GLU A OE2  1 ? 1 
ATOM   1846 H  H    . GLU A 1 124 ? -10.696 31.125 -13.251 1   35.233 ? 124 GLU A H    1 c 1 
ATOM   1847 H  HA   . GLU A 1 124 ? -8.432  32.357 -12.308 1   36.701 ? 124 GLU A HA   1 c 1 
ATOM   1848 H  HB2  . GLU A 1 124 ? -8.754  31.943 -14.624 1   44.281 ? 124 GLU A HB2  1 c 1 
ATOM   1849 H  HB3  . GLU A 1 124 ? -9.929  33.001 -14.649 1   44.977 ? 124 GLU A HB3  1 c 1 
ATOM   1850 H  HG2  . GLU A 1 124 ? -8.346  34.706 -14.078 1   39.81  ? 124 GLU A HG2  1 c 1 
ATOM   1851 H  HG3  . GLU A 1 124 ? -7.187  33.615 -14.153 1   39.113 ? 124 GLU A HG3  1 c 1 
ATOM   1852 N  N    . ILE A 1 125 ? -9.693  33.862 -10.725 1   34.557 ? 125 ILE A N    1 ? 1 
ATOM   1853 C  CA   . ILE A 1 125 ? -10.127 35.001 -9.937  1   35.425 ? 125 ILE A CA   1 ? 1 
ATOM   1854 C  C    . ILE A 1 125 ? -8.969  35.358 -9.016  1   37.498 ? 125 ILE A C    1 ? 1 
ATOM   1855 O  O    . ILE A 1 125 ? -8.3    34.453 -8.513  1   37.535 ? 125 ILE A O    1 ? 1 
ATOM   1856 C  CB   . ILE A 1 125 ? -11.411 34.671 -9.154  1   36.356 ? 125 ILE A CB   1 ? 1 
ATOM   1857 C  CG1  . ILE A 1 125 ? -11.923 35.904 -8.388  1   38.659 ? 125 ILE A CG1  1 ? 1 
ATOM   1858 C  CG2  . ILE A 1 125 ? -11.201 33.468 -8.224  1   34.404 ? 125 ILE A CG2  1 ? 1 
ATOM   1859 C  CD1  . ILE A 1 125 ? -13.348 35.765 -7.887  1   40.931 ? 125 ILE A CD1  1 ? 1 
ATOM   1860 H  H    . ILE A 1 125 ? -9.23   33.196 -10.306 1   36.992 ? 125 ILE A H    1 c 1 
ATOM   1861 H  HA   . ILE A 1 125 ? -10.304 35.754 -10.534 1   39.942 ? 125 ILE A HA   1 c 1 
ATOM   1862 H  HB   . ILE A 1 125 ? -12.098 34.426 -9.805  1   38.067 ? 125 ILE A HB   1 c 1 
ATOM   1863 H  HG12 . ILE A 1 125 ? -11.335 36.066 -7.622  1   40.531 ? 125 ILE A HG12 1 c 1 
ATOM   1864 H  HG13 . ILE A 1 125 ? -11.87  36.685 -8.976  1   41.242 ? 125 ILE A HG13 1 c 1 
ATOM   1865 H  HG21 . ILE A 1 125 ? -12.046 33.225 -7.81   1   36.722 ? 125 ILE A HG21 1 c 1 
ATOM   1866 H  HG22 . ILE A 1 125 ? -10.559 33.695 -7.532  1   37.433 ? 125 ILE A HG22 1 c 1 
ATOM   1867 H  HG23 . ILE A 1 125 ? -10.868 32.712 -8.736  1   36.109 ? 125 ILE A HG23 1 c 1 
ATOM   1868 H  HD11 . ILE A 1 125 ? -13.944 35.596 -8.641  1   39.958 ? 125 ILE A HD11 1 c 1 
ATOM   1869 H  HD12 . ILE A 1 125 ? -13.618 36.59  -7.44   1   41.57  ? 125 ILE A HD12 1 c 1 
ATOM   1870 H  HD13 . ILE A 1 125 ? -13.405 35.022 -7.256  1   39.265 ? 125 ILE A HD13 1 c 1 
ATOM   1871 N  N    . ASP A 1 126 ? -8.732  36.66  -8.836  1   38.613 ? 126 ASP A N    1 ? 1 
ATOM   1872 C  CA   . ASP A 1 126 ? -7.646  37.141 -8.004  1   41.713 ? 126 ASP A CA   1 ? 1 
ATOM   1873 C  C    . ASP A 1 126 ? -8.15   37.164 -6.566  1   42.803 ? 126 ASP A C    1 ? 1 
ATOM   1874 O  O    . ASP A 1 126 ? -8.86   38.079 -6.16   1   45.768 ? 126 ASP A O    1 ? 1 
ATOM   1875 C  CB   . ASP A 1 126 ? -7.132  38.501 -8.455  1   44.649 ? 126 ASP A CB   1 ? 1 
ATOM   1876 C  CG   . ASP A 1 126 ? -5.845  38.978 -7.788  1   48.798 ? 126 ASP A CG   1 ? 1 
ATOM   1877 O  OD1  . ASP A 1 126 ? -5.197  38.148 -7.089  1   50.512 ? 126 ASP A OD1  1 ? 1 
ATOM   1878 O  OD2  . ASP A 1 126 ? -5.504  40.189 -7.938  1   49.481 ? 126 ASP A OD2  1 ? 1 
ATOM   1879 H  H    . ASP A 1 126 ? -9.27   37.273 -9.248  1   42.364 ? 126 ASP A H    1 c 1 
ATOM   1880 H  HA   . ASP A 1 126 ? -6.9    36.503 -8.069  1   42.236 ? 126 ASP A HA   1 c 1 
ATOM   1881 H  HB2  . ASP A 1 126 ? -6.975  38.467 -9.421  1   45.01  ? 126 ASP A HB2  1 c 1 
ATOM   1882 H  HB3  . ASP A 1 126 ? -7.827  39.173 -8.29   1   46.006 ? 126 ASP A HB3  1 c 1 
ATOM   1883 N  N    . LEU A 1 127 ? -7.834  36.104 -5.826  1   40.38  ? 127 LEU A N    1 ? 1 
ATOM   1884 C  CA   . LEU A 1 127 ? -8.142  36.058 -4.416  1   41.94  ? 127 LEU A CA   1 ? 1 
ATOM   1885 C  C    . LEU A 1 127 ? -6.819  35.929 -3.67   1   44.264 ? 127 LEU A C    1 ? 1 
ATOM   1886 O  O    . LEU A 1 127 ? -6.065  34.982 -3.891  1   43.517 ? 127 LEU A O    1 ? 1 
ATOM   1887 C  CB   . LEU A 1 127 ? -9.099  34.904 -4.105  1   41.502 ? 127 LEU A CB   1 ? 1 
ATOM   1888 C  CG   . LEU A 1 127 ? -10.543 35.037 -4.603  1   40.23  ? 127 LEU A CG   1 ? 1 
ATOM   1889 C  CD1  . LEU A 1 127 ? -11.32  33.857 -4.073  1   41.464 ? 127 LEU A CD1  1 ? 1 
ATOM   1890 C  CD2  . LEU A 1 127 ? -11.243 36.302 -4.174  1   43.255 ? 127 LEU A CD2  1 ? 1 
ATOM   1891 H  H    . LEU A 1 127 ? -7.417  35.388 -6.212  1   40.883 ? 127 LEU A H    1 c 1 
ATOM   1892 H  HA   . LEU A 1 127 ? -8.568  36.913 -4.156  1   43.536 ? 127 LEU A HA   1 c 1 
ATOM   1893 H  HB2  . LEU A 1 127 ? -8.717  34.08  -4.487  1   39.283 ? 127 LEU A HB2  1 c 1 
ATOM   1894 H  HB3  . LEU A 1 127 ? -9.121  34.783 -3.127  1   40.778 ? 127 LEU A HB3  1 c 1 
ATOM   1895 H  HG   . LEU A 1 127 ? -10.541 34.995 -5.594  1   39.644 ? 127 LEU A HG   1 c 1 
ATOM   1896 H  HD11 . LEU A 1 127 ? -10.909 33.032 -4.381  1   37.524 ? 127 LEU A HD11 1 c 1 
ATOM   1897 H  HD12 . LEU A 1 127 ? -12.236 33.901 -4.395  1   38.565 ? 127 LEU A HD12 1 c 1 
ATOM   1898 H  HD13 . LEU A 1 127 ? -11.317 33.876 -3.101  1   39.184 ? 127 LEU A HD13 1 c 1 
ATOM   1899 H  HD21 . LEU A 1 127 ? -10.801 37.071 -4.571  1   43.149 ? 127 LEU A HD21 1 c 1 
ATOM   1900 H  HD22 . LEU A 1 127 ? -11.214 36.378 -3.205  1   42.75  ? 127 LEU A HD22 1 c 1 
ATOM   1901 H  HD23 . LEU A 1 127 ? -12.17  36.277 -4.467  1   41.933 ? 127 LEU A HD23 1 c 1 
ATOM   1902 N  N    . ARG A 1 128 ? -6.556  36.881 -2.776  1   47.831 ? 128 ARG A N    1 ? 1 
ATOM   1903 C  CA   . ARG A 1 128 ? -5.363  36.839 -1.949  1   52.058 ? 128 ARG A CA   1 ? 1 
ATOM   1904 C  C    . ARG A 1 128 ? -5.706  36.063 -0.679  1   52.819 ? 128 ARG A C    1 ? 1 
ATOM   1905 O  O    . ARG A 1 128 ? -6.675  36.387 0.003   1   54.672 ? 128 ARG A O    1 ? 1 
ATOM   1906 C  CB   . ARG A 1 128 ? -4.875  38.27  -1.689  1   55.792 ? 128 ARG A CB   1 ? 1 
ATOM   1907 C  CG   . ARG A 1 128 ? -4.864  39.207 -2.888  1   57.998 ? 128 ARG A CG   1 ? 1 
ATOM   1908 C  CD   . ARG A 1 128 ? -3.869  38.781 -3.956  1   59.509 ? 128 ARG A CD   1 ? 1 
ATOM   1909 N  NE   . ARG A 1 128 ? -3.963  39.638 -5.147  1   61.101 ? 128 ARG A NE   1 ? 1 
ATOM   1910 C  CZ   . ARG A 1 128 ? -3.056  40.517 -5.543  1   60.853 ? 128 ARG A CZ   1 ? 1 
ATOM   1911 N  NH1  . ARG A 1 128 ? -2.049  40.798 -4.751  1   63.812 ? 128 ARG A NH1  1 ? 1 
ATOM   1912 N  NH2  . ARG A 1 128 ? -3.157  41.125 -6.715  1   60.806 ? 128 ARG A NH2  1 ? 1 
ATOM   1913 H  H    . ARG A 1 128 ? -7.145  37.572 -2.667  1   46.006 ? 128 ARG A H    1 c 1 
ATOM   1914 H  HA   . ARG A 1 128 ? -4.655  36.352 -2.441  1   45.716 ? 128 ARG A HA   1 c 1 
ATOM   1915 H  HB2  . ARG A 1 128 ? -5.444  38.665 -0.995  1   49.998 ? 128 ARG A HB2  1 c 1 
ATOM   1916 H  HB3  . ARG A 1 128 ? -3.965  38.221 -1.327  1   50.004 ? 128 ARG A HB3  1 c 1 
ATOM   1917 H  HG2  . ARG A 1 128 ? -5.761  39.244 -3.284  1   49.184 ? 128 ARG A HG2  1 c 1 
ATOM   1918 H  HG3  . ARG A 1 128 ? -4.635  40.113 -2.585  1   51.94  ? 128 ARG A HG3  1 c 1 
ATOM   1919 H  HD2  . ARG A 1 128 ? -2.962  38.82  -3.592  1   50.295 ? 128 ARG A HD2  1 c 1 
ATOM   1920 H  HD3  . ARG A 1 128 ? -4.05   37.854 -4.213  1   47.454 ? 128 ARG A HD3  1 c 1 
ATOM   1921 H  HE   . ARG A 1 128 ? -4.683  39.571 -5.626  1   49.193 ? 128 ARG A HE   1 c 1 
ATOM   1922 H  HH11 . ARG A 1 128 ? -2.206  40.919 -3.855  1   54.576 ? 128 ARG A HH11 1 c 1 
ATOM   1923 H  HH12 . ARG A 1 128 ? -1.211  40.877 -5.124  1   54.765 ? 128 ARG A HH12 1 c 1 
ATOM   1924 H  HH21 . ARG A 1 128 ? -3.855  40.972 -7.235  1   51.703 ? 128 ARG A HH21 1 c 1 
ATOM   1925 H  HH22 . ARG A 1 128 ? -2.523  41.685 -6.974  1   54.225 ? 128 ARG A HH22 1 c 1 
ATOM   1926 N  N    . ARG A 1 129 ? -4.953  34.994 -0.395  1   53.055 ? 129 ARG A N    1 ? 1 
ATOM   1927 C  CA   . ARG A 1 129 ? -5.24   34.138 0.747   1   53.461 ? 129 ARG A CA   1 ? 1 
ATOM   1928 C  C    . ARG A 1 129 ? -5.323  34.974 2.026   1   54.718 ? 129 ARG A C    1 ? 1 
ATOM   1929 O  O    . ARG A 1 129 ? -4.43   35.767 2.314   1   55.091 ? 129 ARG A O    1 ? 1 
ATOM   1930 C  CB   . ARG A 1 129 ? -4.145  33.082 0.92    1   54.258 ? 129 ARG A CB   1 ? 1 
ATOM   1931 C  CG   . ARG A 1 129 ? -4.041  32.056 -0.195  1   53.418 ? 129 ARG A CG   1 ? 1 
ATOM   1932 C  CD   . ARG A 1 129 ? -2.663  31.436 -0.136  1   55.74  ? 129 ARG A CD   1 ? 1 
ATOM   1933 N  NE   . ARG A 1 129 ? -2.57   30.254 -0.991  1   56.593 ? 129 ARG A NE   1 ? 1 
ATOM   1934 C  CZ   . ARG A 1 129 ? -2.317  29.036 -0.525  1   57.403 ? 129 ARG A CZ   1 ? 1 
ATOM   1935 N  NH1  . ARG A 1 129 ? -1.702  28.899 0.631   1   59.766 ? 129 ARG A NH1  1 ? 1 
ATOM   1936 N  NH2  . ARG A 1 129 ? -2.638  27.962 -1.233  1   56.285 ? 129 ARG A NH2  1 ? 1 
ATOM   1937 H  H    . ARG A 1 129 ? -4.236  34.796 -0.925  1   44.876 ? 129 ARG A H    1 c 1 
ATOM   1938 H  HA   . ARG A 1 129 ? -6.109  33.689 0.593   1   43.3   ? 129 ARG A HA   1 c 1 
ATOM   1939 H  HB2  . ARG A 1 129 ? -3.283  33.544 1.001   1   45.629 ? 129 ARG A HB2  1 c 1 
ATOM   1940 H  HB3  . ARG A 1 129 ? -4.304  32.607 1.764   1   44.295 ? 129 ARG A HB3  1 c 1 
ATOM   1941 H  HG2  . ARG A 1 129 ? -4.721  31.359 -0.075  1   40.996 ? 129 ARG A HG2  1 c 1 
ATOM   1942 H  HG3  . ARG A 1 129 ? -4.17   32.49  -1.066  1   41.951 ? 129 ARG A HG3  1 c 1 
ATOM   1943 H  HD2  . ARG A 1 129 ? -1.999  32.095 -0.424  1   44.04  ? 129 ARG A HD2  1 c 1 
ATOM   1944 H  HD3  . ARG A 1 129 ? -2.463  31.19  0.79    1   43.566 ? 129 ARG A HD3  1 c 1 
ATOM   1945 H  HE   . ARG A 1 129 ? -2.684  30.354 -1.848  1   40.656 ? 129 ARG A HE   1 c 1 
ATOM   1946 H  HH11 . ARG A 1 129 ? -1.05   29.455 0.856   1   43.598 ? 129 ARG A HH11 1 c 1 
ATOM   1947 H  HH12 . ARG A 1 129 ? -1.932  28.238 1.173   1   41.884 ? 129 ARG A HH12 1 c 1 
ATOM   1948 H  HH21 . ARG A 1 129 ? -2.965  28.053 -2.049  1   38.467 ? 129 ARG A HH21 1 c 1 
ATOM   1949 H  HH22 . ARG A 1 129 ? -2.524  27.157 -0.885  1   39.042 ? 129 ARG A HH22 1 c 1 
ATOM   1950 N  N    . ASP A 1 130 ? -6.42   34.806 2.771   1   55.33  ? 130 ASP A N    1 ? 1 
ATOM   1951 C  CA   . ASP A 1 130 ? -6.529  35.33  4.12    1   56.961 ? 130 ASP A CA   1 ? 1 
ATOM   1952 C  C    . ASP A 1 130 ? -6.274  34.195 5.1     1   57.71  ? 130 ASP A C    1 ? 1 
ATOM   1953 O  O    . ASP A 1 130 ? -6.328  33.022 4.722   1   51.991 ? 130 ASP A O    1 ? 1 
ATOM   1954 C  CB   . ASP A 1 130 ? -7.866  36.015 4.361   1   63.157 ? 130 ASP A CB   1 ? 1 
ATOM   1955 C  CG   . ASP A 1 130 ? -7.873  37.489 3.982   1   68.108 ? 130 ASP A CG   1 ? 1 
ATOM   1956 O  OD1  . ASP A 1 130 ? -7.719  37.766 2.762   1   72.692 ? 130 ASP A OD1  1 ? 1 
ATOM   1957 O  OD2  . ASP A 1 130 ? -7.957  38.334 4.909   1   70.308 ? 130 ASP A OD2  1 ? 1 
ATOM   1958 H  H    . ASP A 1 130 ? -7.13   34.351 2.421   1   45.351 ? 130 ASP A H    1 c 1 
ATOM   1959 H  HA   . ASP A 1 130 ? -5.828  36.009 4.247   1   50.601 ? 130 ASP A HA   1 c 1 
ATOM   1960 H  HB2  . ASP A 1 130 ? -8.558  35.559 3.838   1   48.109 ? 130 ASP A HB2  1 c 1 
ATOM   1961 H  HB3  . ASP A 1 130 ? -8.106  35.94  5.309   1   50.687 ? 130 ASP A HB3  1 c 1 
ATOM   1962 N  N    . ASP A 1 131 ? -6.061  34.57  6.367   1   61.623 ? 131 ASP A N    1 ? 1 
ATOM   1963 C  CA   . ASP A 1 131 ? -5.677  33.626 7.402   1   65.026 ? 131 ASP A CA   1 ? 1 
ATOM   1964 C  C    . ASP A 1 131 ? -6.798  32.629 7.675   1   64.949 ? 131 ASP A C    1 ? 1 
ATOM   1965 O  O    . ASP A 1 131 ? -6.506  31.499 8.068   1   65.589 ? 131 ASP A O    1 ? 1 
ATOM   1966 C  CB   . ASP A 1 131 ? -5.225  34.345 8.666   1   69.404 ? 131 ASP A CB   1 ? 1 
ATOM   1967 C  CG   . ASP A 1 131 ? -4.069  35.303 8.446   1   70.741 ? 131 ASP A CG   1 ? 1 
ATOM   1968 O  OD1  . ASP A 1 131 ? -3.164  34.934 7.678   1   72.214 ? 131 ASP A OD1  1 ? 1 
ATOM   1969 O  OD2  . ASP A 1 131 ? -4.092  36.397 9.026   1   74.716 ? 131 ASP A OD2  1 ? 1 
ATOM   1970 H  H    . ASP A 1 131 ? -6.166  35.45  6.592   1   52.559 ? 131 ASP A H    1 c 1 
ATOM   1971 H  HA   . ASP A 1 131 ? -4.9    33.121 7.073   1   50.671 ? 131 ASP A HA   1 c 1 
ATOM   1972 H  HB2  . ASP A 1 131 ? -5.981  34.85  9.033   1   55.366 ? 131 ASP A HB2  1 c 1 
ATOM   1973 H  HB3  . ASP A 1 131 ? -4.952  33.679 9.331   1   54.782 ? 131 ASP A HB3  1 c 1 
ATOM   1974 N  N    . ASP A 1 132 ? -8.059  33.055 7.492   1   61.764 ? 132 ASP A N    1 ? 1 
ATOM   1975 C  CA   . ASP A 1 132 ? -9.19   32.214 7.837   1   56.273 ? 132 ASP A CA   1 ? 1 
ATOM   1976 C  C    . ASP A 1 132 ? -9.856  31.684 6.577   1   49.838 ? 132 ASP A C    1 ? 1 
ATOM   1977 O  O    . ASP A 1 132 ? -11.014 31.31  6.617   1   48.981 ? 132 ASP A O    1 ? 1 
ATOM   1978 C  CB   . ASP A 1 132 ? -10.161 32.961 8.734   1   61.542 ? 132 ASP A CB   1 ? 1 
ATOM   1979 C  CG   . ASP A 1 132 ? -9.54   33.534 9.995   1   66.132 ? 132 ASP A CG   1 ? 1 
ATOM   1980 O  OD1  . ASP A 1 132 ? -8.851  32.772 10.707  1   68.585 ? 132 ASP A OD1  1 ? 1 
ATOM   1981 O  OD2  . ASP A 1 132 ? -9.73   34.737 10.244  1   71.727 ? 132 ASP A OD2  1 ? 1 
ATOM   1982 H  H    . ASP A 1 132 ? -8.216  33.89  7.156   1   49.968 ? 132 ASP A H    1 c 1 
ATOM   1983 H  HA   . ASP A 1 132 ? -8.859  31.446 8.354   1   48.135 ? 132 ASP A HA   1 c 1 
ATOM   1984 H  HB2  . ASP A 1 132 ? -10.562 33.696 8.224   1   50.598 ? 132 ASP A HB2  1 c 1 
ATOM   1985 H  HB3  . ASP A 1 132 ? -10.88  32.351 9.002   1   49.802 ? 132 ASP A HB3  1 c 1 
ATOM   1986 N  N    . ASP A 1 133 ? -9.124  31.637 5.462   1   46.13  ? 133 ASP A N    1 ? 1 
ATOM   1987 C  CA   . ASP A 1 133 ? -9.642  31.045 4.24    1   41.72  ? 133 ASP A CA   1 ? 1 
ATOM   1988 C  C    . ASP A 1 133 ? -9.538  29.527 4.334   1   39.28  ? 133 ASP A C    1 ? 1 
ATOM   1989 O  O    . ASP A 1 133 ? -8.631  29.005 4.963   1   40.348 ? 133 ASP A O    1 ? 1 
ATOM   1990 C  CB   . ASP A 1 133 ? -8.896  31.548 3.012   1   41.843 ? 133 ASP A CB   1 ? 1 
ATOM   1991 C  CG   . ASP A 1 133 ? -9.29   32.932 2.518   1   42.625 ? 133 ASP A CG   1 ? 1 
ATOM   1992 O  OD1  . ASP A 1 133 ? -10.31  33.444 2.988   1   44.693 ? 133 ASP A OD1  1 ? 1 
ATOM   1993 O  OD2  . ASP A 1 133 ? -8.588  33.467 1.648   1   43.44  ? 133 ASP A OD2  1 ? 1 
ATOM   1994 H  H    . ASP A 1 133 ? -8.278  31.981 5.459   1   45.107 ? 133 ASP A H    1 c 1 
ATOM   1995 H  HA   . ASP A 1 133 ? -10.59  31.292 4.151   1   42.051 ? 133 ASP A HA   1 c 1 
ATOM   1996 H  HB2  . ASP A 1 133 ? -7.936  31.556 3.207   1   42.178 ? 133 ASP A HB2  1 c 1 
ATOM   1997 H  HB3  . ASP A 1 133 ? -9.043  30.917 2.277   1   40.09  ? 133 ASP A HB3  1 c 1 
ATOM   1998 N  N    . ALA A 1 134 ? -10.481 28.83  3.703   1   37.346 ? 134 ALA A N    1 ? 1 
ATOM   1999 C  CA   . ALA A 1 134 ? -10.37  27.405 3.467   1   34.898 ? 134 ALA A CA   1 ? 1 
ATOM   2000 C  C    . ALA A 1 134 ? -9.542  27.207 2.197   1   33.895 ? 134 ALA A C    1 ? 1 
ATOM   2001 O  O    . ALA A 1 134 ? -9.845  27.808 1.165   1   33.079 ? 134 ALA A O    1 ? 1 
ATOM   2002 C  CB   . ALA A 1 134 ? -11.758 26.818 3.351   1   32.223 ? 134 ALA A CB   1 ? 1 
ATOM   2003 H  H    . ALA A 1 134 ? -11.227 29.264 3.403   1   38.953 ? 134 ALA A H    1 c 1 
ATOM   2004 H  HA   . ALA A 1 134 ? -9.891  26.986 4.234   1   38.119 ? 134 ALA A HA   1 c 1 
ATOM   2005 H  HB1  . ALA A 1 134 ? -12.251 26.981 4.173   1   37.623 ? 134 ALA A HB1  1 c 1 
ATOM   2006 H  HB2  . ALA A 1 134 ? -12.227 27.233 2.608   1   36.293 ? 134 ALA A HB2  1 c 1 
ATOM   2007 H  HB3  . ALA A 1 134 ? -11.696 25.86  3.198   1   35.903 ? 134 ALA A HB3  1 c 1 
ATOM   2008 N  N    . LEU A 1 135 ? -8.506  26.361 2.284   1   32.976 ? 135 LEU A N    1 ? 1 
ATOM   2009 C  CA   . LEU A 1 135 ? -7.542  26.197 1.205   1   34.261 ? 135 LEU A CA   1 ? 1 
ATOM   2010 C  C    . LEU A 1 135 ? -7.57   24.767 0.667   1   32.6   ? 135 LEU A C    1 ? 1 
ATOM   2011 O  O    . LEU A 1 135 ? -7.835  23.799 1.38    1   31.334 ? 135 LEU A O    1 ? 1 
ATOM   2012 C  CB   . LEU A 1 135 ? -6.142  26.592 1.68    1   35.426 ? 135 LEU A CB   1 ? 1 
ATOM   2013 C  CG   . LEU A 1 135 ? -6.014  28.002 2.27    1   39.389 ? 135 LEU A CG   1 ? 1 
ATOM   2014 C  CD1  . LEU A 1 135 ? -4.617  28.284 2.755   1   43.152 ? 135 LEU A CD1  1 ? 1 
ATOM   2015 C  CD2  . LEU A 1 135 ? -6.403  29.064 1.259   1   39.098 ? 135 LEU A CD2  1 ? 1 
ATOM   2016 H  H    . LEU A 1 135 ? -8.399  25.865 3.044   1   36.761 ? 135 LEU A H    1 c 1 
ATOM   2017 H  HA   . LEU A 1 135 ? -7.807  26.802 0.469   1   35.513 ? 135 LEU A HA   1 c 1 
ATOM   2018 H  HB2  . LEU A 1 135 ? -5.854  25.942 2.362   1   37.741 ? 135 LEU A HB2  1 c 1 
ATOM   2019 H  HB3  . LEU A 1 135 ? -5.526  26.517 0.915   1   37.142 ? 135 LEU A HB3  1 c 1 
ATOM   2020 H  HG   . LEU A 1 135 ? -6.63   28.072 3.044   1   39.299 ? 135 LEU A HG   1 c 1 
ATOM   2021 H  HD11 . LEU A 1 135 ? -4.373  27.637 3.437   1   41.053 ? 135 LEU A HD11 1 c 1 
ATOM   2022 H  HD12 . LEU A 1 135 ? -4.577  29.18  3.13    1   41.824 ? 135 LEU A HD12 1 c 1 
ATOM   2023 H  HD13 . LEU A 1 135 ? -3.996  28.218 2.01    1   40.484 ? 135 LEU A HD13 1 c 1 
ATOM   2024 H  HD21 . LEU A 1 135 ? -7.346  28.975 1.038   1   37.843 ? 135 LEU A HD21 1 c 1 
ATOM   2025 H  HD22 . LEU A 1 135 ? -5.871  28.955 0.452   1   38.282 ? 135 LEU A HD22 1 c 1 
ATOM   2026 H  HD23 . LEU A 1 135 ? -6.242  29.945 1.635   1   39.892 ? 135 LEU A HD23 1 c 1 
ATOM   2027 N  N    . ALA A 1 136 ? -7.319  24.678 -0.637  1   31.322 ? 136 ALA A N    1 ? 1 
ATOM   2028 C  CA   . ALA A 1 136 ? -7.256  23.414 -1.333  1   29.228 ? 136 ALA A CA   1 ? 1 
ATOM   2029 C  C    . ALA A 1 136 ? -6.028  22.637 -0.875  1   29.869 ? 136 ALA A C    1 ? 1 
ATOM   2030 O  O    . ALA A 1 136 ? -4.996  23.204 -0.549  1   31.335 ? 136 ALA A O    1 ? 1 
ATOM   2031 C  CB   . ALA A 1 136 ? -7.229  23.657 -2.822  1   26.466 ? 136 ALA A CB   1 ? 1 
ATOM   2032 H  H    . ALA A 1 136 ? -7.176  25.444 -1.114  1   34.075 ? 136 ALA A H    1 c 1 
ATOM   2033 H  HA   . ALA A 1 136 ? -8.07   22.889 -1.1    1   32.646 ? 136 ALA A HA   1 c 1 
ATOM   2034 H  HB1  . ALA A 1 136 ? -8.036  24.124 -3.092  1   32.107 ? 136 ALA A HB1  1 c 1 
ATOM   2035 H  HB2  . ALA A 1 136 ? -6.454  24.197 -3.051  1   33.122 ? 136 ALA A HB2  1 c 1 
ATOM   2036 H  HB3  . ALA A 1 136 ? -7.178  22.807 -3.291  1   32.203 ? 136 ALA A HB3  1 c 1 
ATOM   2037 N  N    . PRO A 1 137 ? -6.081  21.297 -0.898  1   29.989 ? 137 PRO A N    1 ? 1 
ATOM   2038 C  CA   . PRO A 1 137 ? -4.888  20.491 -0.657  1   32.295 ? 137 PRO A CA   1 ? 1 
ATOM   2039 C  C    . PRO A 1 137 ? -3.926  20.624 -1.835  1   31.826 ? 137 PRO A C    1 ? 1 
ATOM   2040 O  O    . PRO A 1 137 ? -4.34   20.838 -2.965  1   29.498 ? 137 PRO A O    1 ? 1 
ATOM   2041 C  CB   . PRO A 1 137 ? -5.462  19.082 -0.523  1   32.232 ? 137 PRO A CB   1 ? 1 
ATOM   2042 C  CG   . PRO A 1 137 ? -6.638  19.105 -1.439  1   31.93  ? 137 PRO A CG   1 ? 1 
ATOM   2043 C  CD   . PRO A 1 137 ? -7.244  20.509 -1.284  1   31.188 ? 137 PRO A CD   1 ? 1 
ATOM   2044 H  HA   . PRO A 1 137 ? -4.452  20.767 0.187   1   35.827 ? 137 PRO A HA   1 c 1 
ATOM   2045 H  HB2  . PRO A 1 137 ? -4.805  18.403 -0.806  1   35.224 ? 137 PRO A HB2  1 c 1 
ATOM   2046 H  HB3  . PRO A 1 137 ? -5.739  18.899 0.406   1   34.935 ? 137 PRO A HB3  1 c 1 
ATOM   2047 H  HG2  . PRO A 1 137 ? -6.359  18.95  -2.366  1   33.118 ? 137 PRO A HG2  1 c 1 
ATOM   2048 H  HG3  . PRO A 1 137 ? -7.288  18.418 -1.187  1   33.015 ? 137 PRO A HG3  1 c 1 
ATOM   2049 H  HD2  . PRO A 1 137 ? -7.627  20.825 -2.132  1   32.158 ? 137 PRO A HD2  1 c 1 
ATOM   2050 H  HD3  . PRO A 1 137 ? -7.935  20.524 -0.585  1   32.692 ? 137 PRO A HD3  1 c 1 
ATOM   2051 N  N    . ALA A 1 138 ? -2.633  20.498 -1.552  1   32.458 ? 138 ALA A N    1 ? 1 
ATOM   2052 C  CA   . ALA A 1 138 ? -1.609  20.499 -2.578  1   33.374 ? 138 ALA A CA   1 ? 1 
ATOM   2053 C  C    . ALA A 1 138 ? -1.372  19.075 -3.069  1   35.075 ? 138 ALA A C    1 ? 1 
ATOM   2054 O  O    . ALA A 1 138 ? -1.308  18.155 -2.261  1   36.907 ? 138 ALA A O    1 ? 1 
ATOM   2055 C  CB   . ALA A 1 138 ? -0.341  21.067 -1.974  1   35.106 ? 138 ALA A CB   1 ? 1 
ATOM   2056 H  H    . ALA A 1 138 ? -2.377  20.406 -0.679  1   37.562 ? 138 ALA A H    1 c 1 
ATOM   2057 H  HA   . ALA A 1 138 ? -1.907  21.066 -3.341  1   36.971 ? 138 ALA A HA   1 c 1 
ATOM   2058 H  HB1  . ALA A 1 138 ? -0.506  21.971 -1.658  1   39.423 ? 138 ALA A HB1  1 c 1 
ATOM   2059 H  HB2  . ALA A 1 138 ? -0.057  20.513 -1.228  1   40.29  ? 138 ALA A HB2  1 c 1 
ATOM   2060 H  HB3  . ALA A 1 138 ? 0.361   21.085 -2.646  1   40.237 ? 138 ALA A HB3  1 c 1 
ATOM   2061 N  N    . LEU A 1 139 ? -1.207  18.891 -4.383  1   35.883 ? 139 LEU A N    1 ? 1 
ATOM   2062 C  CA   . LEU A 1 139 ? -0.959  17.573 -4.945  1   35.732 ? 139 LEU A CA   1 ? 1 
ATOM   2063 C  C    . LEU A 1 139 ? 0.5     17.48  -5.367  1   38.666 ? 139 LEU A C    1 ? 1 
ATOM   2064 O  O    . LEU A 1 139 ? 0.966   18.311 -6.139  1   37.901 ? 139 LEU A O    1 ? 1 
ATOM   2065 C  CB   . LEU A 1 139 ? -1.863  17.358 -6.15   1   34.83  ? 139 LEU A CB   1 ? 1 
ATOM   2066 C  CG   . LEU A 1 139 ? -3.36   17.322 -5.845  1   33.575 ? 139 LEU A CG   1 ? 1 
ATOM   2067 C  CD1  . LEU A 1 139 ? -4.093  17.096 -7.145  1   35.412 ? 139 LEU A CD1  1 ? 1 
ATOM   2068 C  CD2  . LEU A 1 139 ? -3.712  16.254 -4.833  1   32.648 ? 139 LEU A CD2  1 ? 1 
ATOM   2069 H  H    . LEU A 1 139 ? -1.249  19.609 -4.947  1   37.64  ? 139 LEU A H    1 c 1 
ATOM   2070 H  HA   . LEU A 1 139 ? -1.147  16.886 -4.26   1   48.298 ? 139 LEU A HA   1 c 1 
ATOM   2071 H  HB2  . LEU A 1 139 ? -1.694  18.081 -6.796  1   37.449 ? 139 LEU A HB2  1 c 1 
ATOM   2072 H  HB3  . LEU A 1 139 ? -1.612  16.506 -6.576  1   38.315 ? 139 LEU A HB3  1 c 1 
ATOM   2073 H  HG   . LEU A 1 139 ? -3.629  18.204 -5.48   1   35.164 ? 139 LEU A HG   1 c 1 
ATOM   2074 H  HD11 . LEU A 1 139 ? -3.892  17.82  -7.762  1   35.075 ? 139 LEU A HD11 1 c 1 
ATOM   2075 H  HD12 . LEU A 1 139 ? -5.051  17.071 -6.978  1   34.189 ? 139 LEU A HD12 1 c 1 
ATOM   2076 H  HD13 . LEU A 1 139 ? -3.811  16.251 -7.535  1   35.918 ? 139 LEU A HD13 1 c 1 
ATOM   2077 H  HD21 . LEU A 1 139 ? -3.325  16.48  -3.971  1   45.368 ? 139 LEU A HD21 1 c 1 
ATOM   2078 H  HD22 . LEU A 1 139 ? -3.364  15.397 -5.131  1   45.786 ? 139 LEU A HD22 1 c 1 
ATOM   2079 H  HD23 . LEU A 1 139 ? -4.679  16.196 -4.747  1   43.964 ? 139 LEU A HD23 1 c 1 
ATOM   2080 N  N    . ASP A 1 140 ? 1.192   16.441 -4.899  1   40.066 ? 140 ASP A N    1 ? 1 
ATOM   2081 C  CA   . ASP A 1 140 ? 2.552   16.176 -5.325  1   46.106 ? 140 ASP A CA   1 ? 1 
ATOM   2082 C  C    . ASP A 1 140 ? 2.497   15.423 -6.659  1   49.112 ? 140 ASP A C    1 ? 1 
ATOM   2083 O  O    . ASP A 1 140 ? 1.406   15.152 -7.166  1   47.631 ? 140 ASP A O    1 ? 1 
ATOM   2084 C  CB   . ASP A 1 140 ? 3.273   15.383 -4.253  1   50.223 ? 140 ASP A CB   1 ? 1 
ATOM   2085 C  CG   . ASP A 1 140 ? 2.762   13.962 -4.103  1   52.221 ? 140 ASP A CG   1 ? 1 
ATOM   2086 O  OD1  . ASP A 1 140 ? 1.933   13.547 -4.916  1   52.351 ? 140 ASP A OD1  1 ? 1 
ATOM   2087 O  OD2  . ASP A 1 140 ? 3.196   13.291 -3.17   1   58.657 ? 140 ASP A OD2  1 ? 1 
ATOM   2088 H  H    . ASP A 1 140 ? 0.802   15.88  -4.292  1   51.695 ? 140 ASP A H    1 c 1 
ATOM   2089 H  HA   . ASP A 1 140 ? 3.018   17.032 -5.457  1   45.19  ? 140 ASP A HA   1 c 1 
ATOM   2090 H  HB2  . ASP A 1 140 ? 4.23    15.35  -4.459  1   48.605 ? 140 ASP A HB2  1 c 1 
ATOM   2091 H  HB3  . ASP A 1 140 ? 3.163   15.841 -3.394  1   46.454 ? 140 ASP A HB3  1 c 1 
ATOM   2092 N  N    . ASP A 1 141 ? 3.664   15.026 -7.18   1   51.163 ? 141 ASP A N    1 ? 1 
ATOM   2093 C  CA   . ASP A 1 141 ? 3.757   14.474 -8.522  1   54.843 ? 141 ASP A CA   1 ? 1 
ATOM   2094 C  C    . ASP A 1 141 ? 3.511   12.966 -8.59   1   55.343 ? 141 ASP A C    1 ? 1 
ATOM   2095 O  O    . ASP A 1 141 ? 3.513   12.437 -9.692  1   58.286 ? 141 ASP A O    1 ? 1 
ATOM   2096 C  CB   . ASP A 1 141 ? 5.08    14.816 -9.187  1   62.58  ? 141 ASP A CB   1 ? 1 
ATOM   2097 C  CG   . ASP A 1 141 ? 5.107   16.195 -9.828  1   65.529 ? 141 ASP A CG   1 ? 1 
ATOM   2098 O  OD1  . ASP A 1 141 ? 4.195   17.01  -9.511  1   62.265 ? 141 ASP A OD1  1 ? 1 
ATOM   2099 O  OD2  . ASP A 1 141 ? 6.057   16.47  -10.605 1   69.802 ? 141 ASP A OD2  1 ? 1 
ATOM   2100 H  H    . ASP A 1 141 ? 4.428   15.108 -6.685  1   49.113 ? 141 ASP A H    1 c 1 
ATOM   2101 H  HA   . ASP A 1 141 ? 3.062   14.905 -9.069  1   47.108 ? 141 ASP A HA   1 c 1 
ATOM   2102 H  HB2  . ASP A 1 141 ? 5.795   14.775 -8.518  1   52.435 ? 141 ASP A HB2  1 c 1 
ATOM   2103 H  HB3  . ASP A 1 141 ? 5.283   14.158 -9.884  1   52.325 ? 141 ASP A HB3  1 c 1 
ATOM   2104 N  N    . SER A 1 142 ? 3.244   12.272 -7.474  1   54.136 ? 142 SER A N    1 ? 1 
ATOM   2105 C  CA   . SER A 1 142 ? 2.556   10.989 -7.585  1   53.959 ? 142 SER A CA   1 ? 1 
ATOM   2106 C  C    . SER A 1 142 ? 1.235   11.188 -8.33   1   51.286 ? 142 SER A C    1 ? 1 
ATOM   2107 O  O    . SER A 1 142 ? 0.677   10.242 -8.857  1   52.509 ? 142 SER A O    1 ? 1 
ATOM   2108 C  CB   . SER A 1 142 ? 2.33    10.305 -6.26   1   53.284 ? 142 SER A CB   1 ? 1 
ATOM   2109 O  OG   . SER A 1 142 ? 1.189   10.826 -5.587  1   50.831 ? 142 SER A OG   1 ? 1 
ATOM   2110 H  H    . SER A 1 142 ? 3.491   12.585 -6.652  1   49.57  ? 142 SER A H    1 c 1 
ATOM   2111 H  HA   . SER A 1 142 ? 3.124   10.394 -8.138  1   51.645 ? 142 SER A HA   1 c 1 
ATOM   2112 H  HB2  . SER A 1 142 ? 2.208   9.348  -6.41   1   50.936 ? 142 SER A HB2  1 c 1 
ATOM   2113 H  HB3  . SER A 1 142 ? 3.119   10.424 -5.698  1   51.181 ? 142 SER A HB3  1 c 1 
ATOM   2114 H  HG   . SER A 1 142 ? 1.098   10.413 -4.856  0   30     ? 142 SER A HG   1 c 1 
ATOM   2115 N  N    . TRP A 1 143 ? 0.73    12.42  -8.409  1   50.037 ? 143 TRP A N    1 ? 1 
ATOM   2116 C  CA   . TRP A 1 143 ? -0.502  12.656 -9.138  1   48.66  ? 143 TRP A CA   1 ? 1 
ATOM   2117 C  C    . TRP A 1 143 ? -0.183  13.007 -10.58  1   51.266 ? 143 TRP A C    1 ? 1 
ATOM   2118 O  O    . TRP A 1 143 ? 0.628   13.882 -10.815 1   56.848 ? 143 TRP A O    1 ? 1 
ATOM   2119 C  CB   . TRP A 1 143 ? -1.297  13.779 -8.474  1   44.922 ? 143 TRP A CB   1 ? 1 
ATOM   2120 C  CG   . TRP A 1 143 ? -1.86   13.366 -7.151  1   43.143 ? 143 TRP A CG   1 ? 1 
ATOM   2121 C  CD1  . TRP A 1 143 ? -1.333  13.544 -5.904  1   44.332 ? 143 TRP A CD1  1 ? 1 
ATOM   2122 C  CD2  . TRP A 1 143 ? -3.102  12.663 -6.977  1   40.558 ? 143 TRP A CD2  1 ? 1 
ATOM   2123 N  NE1  . TRP A 1 143 ? -2.171  13.004 -4.961  1   43.118 ? 143 TRP A NE1  1 ? 1 
ATOM   2124 C  CE2  . TRP A 1 143 ? -3.268  12.465 -5.588  1   41.403 ? 143 TRP A CE2  1 ? 1 
ATOM   2125 C  CE3  . TRP A 1 143 ? -4.076  12.203 -7.864  1   38.448 ? 143 TRP A CE3  1 ? 1 
ATOM   2126 C  CZ2  . TRP A 1 143 ? -4.384  11.819 -5.063  1   39.133 ? 143 TRP A CZ2  1 ? 1 
ATOM   2127 C  CZ3  . TRP A 1 143 ? -5.179  11.565 -7.346  1   38.129 ? 143 TRP A CZ3  1 ? 1 
ATOM   2128 C  CH2  . TRP A 1 143 ? -5.343  11.408 -5.965  1   39.807 ? 143 TRP A CH2  1 ? 1 
ATOM   2129 H  H    . TRP A 1 143 ? 1.134   13.118 -7.981  1   45.102 ? 143 TRP A H    1 c 1 
ATOM   2130 H  HA   . TRP A 1 143 ? -1.052  11.827 -9.12   1   43.379 ? 143 TRP A HA   1 c 1 
ATOM   2131 H  HB2  . TRP A 1 143 ? -0.709  14.553 -8.347  1   41.106 ? 143 TRP A HB2  1 c 1 
ATOM   2132 H  HB3  . TRP A 1 143 ? -2.033  14.038 -9.068  1   39.913 ? 143 TRP A HB3  1 c 1 
ATOM   2133 H  HD1  . TRP A 1 143 ? -0.518  13.976 -5.709  1   41.54  ? 143 TRP A HD1  1 c 1 
ATOM   2134 H  HE1  . TRP A 1 143 ? -2.034  13.016 -4.099  1   40.328 ? 143 TRP A HE1  1 c 1 
ATOM   2135 H  HE3  . TRP A 1 143 ? -3.983  12.334 -8.793  1   39.045 ? 143 TRP A HE3  1 c 1 
ATOM   2136 H  HZ2  . TRP A 1 143 ? -4.491  11.698 -4.135  1   38.603 ? 143 TRP A HZ2  1 c 1 
ATOM   2137 H  HZ3  . TRP A 1 143 ? -5.854  11.259 -7.929  1   37.994 ? 143 TRP A HZ3  1 c 1 
ATOM   2138 H  HH2  . TRP A 1 143 ? -6.1    10.949 -5.645  1   37.744 ? 143 TRP A HH2  1 c 1 
ATOM   2139 N  N    . VAL A 1 144 ? -0.842  12.361 -11.541 1   50.498 ? 144 VAL A N    1 ? 1 
ATOM   2140 C  CA   . VAL A 1 144 ? -0.6    12.652 -12.943 1   52.114 ? 144 VAL A CA   1 ? 1 
ATOM   2141 C  C    . VAL A 1 144 ? -1.945  12.94  -13.575 1   49.747 ? 144 VAL A C    1 ? 1 
ATOM   2142 O  O    . VAL A 1 144 ? -2.907  12.28  -13.252 1   48.747 ? 144 VAL A O    1 ? 1 
ATOM   2143 C  CB   . VAL A 1 144 ? 0.065   11.471 -13.677 1   53.029 ? 144 VAL A CB   1 ? 1 
ATOM   2144 C  CG1  . VAL A 1 144 ? 1.456   11.173 -13.149 1   54.97  ? 144 VAL A CG1  1 ? 1 
ATOM   2145 C  CG2  . VAL A 1 144 ? -0.78   10.203 -13.61  1   53.759 ? 144 VAL A CG2  1 ? 1 
ATOM   2146 H  H    . VAL A 1 144 ? -1.463  11.728 -11.319 1   43.849 ? 144 VAL A H    1 c 1 
ATOM   2147 H  HA   . VAL A 1 144 ? -0.032  13.442 -13.02  1   45.089 ? 144 VAL A HA   1 c 1 
ATOM   2148 H  HB   . VAL A 1 144 ? 0.15    11.728 -14.625 1   48.39  ? 144 VAL A HB   1 c 1 
ATOM   2149 H  HG11 . VAL A 1 144 ? 1.403   10.939 -12.207 1   49.683 ? 144 VAL A HG11 1 c 1 
ATOM   2150 H  HG12 . VAL A 1 144 ? 2.019   11.958 -13.256 1   50.183 ? 144 VAL A HG12 1 c 1 
ATOM   2151 H  HG13 . VAL A 1 144 ? 1.84    10.43  -13.645 1   52.053 ? 144 VAL A HG13 1 c 1 
ATOM   2152 H  HG21 . VAL A 1 144 ? -0.299  9.473  -14.035 1   50.155 ? 144 VAL A HG21 1 c 1 
ATOM   2153 H  HG22 . VAL A 1 144 ? -1.622  10.343 -14.073 1   47.086 ? 144 VAL A HG22 1 c 1 
ATOM   2154 H  HG23 . VAL A 1 144 ? -0.953  9.974  -12.683 1   47.515 ? 144 VAL A HG23 1 c 1 
ATOM   2155 N  N    . GLY A 1 145 ? -2.008  13.815 -14.568 1   54.047 ? 145 GLY A N    1 ? 1 
ATOM   2156 C  CA   . GLY A 1 145 ? -3.247  13.891 -15.322 1   54.304 ? 145 GLY A CA   1 ? 1 
ATOM   2157 C  C    . GLY A 1 145 ? -3.205  14.896 -16.463 1   52.131 ? 145 GLY A C    1 ? 1 
ATOM   2158 O  O    . GLY A 1 145 ? -2.161  15.134 -17.049 1   51.623 ? 145 GLY A O    1 ? 1 
ATOM   2159 H  H    . GLY A 1 145 ? -1.303  14.356 -14.779 1   43.62  ? 145 GLY A H    1 c 1 
ATOM   2160 H  HA2  . GLY A 1 145 ? -3.452  12.998 -15.688 1   42.991 ? 145 GLY A HA2  1 c 1 
ATOM   2161 H  HA3  . GLY A 1 145 ? -3.972  14.133 -14.706 1   40.504 ? 145 GLY A HA3  1 c 1 
ATOM   2162 N  N    . GLU A 1 146 ? -4.384  15.433 -16.774 1   49.257 ? 146 GLU A N    1 ? 1 
ATOM   2163 C  CA   . GLU A 1 146 ? -4.559  16.325 -17.897 1   47.997 ? 146 GLU A CA   1 ? 1 
ATOM   2164 C  C    . GLU A 1 146 ? -5.241  17.598 -17.404 1   41.967 ? 146 GLU A C    1 ? 1 
ATOM   2165 O  O    . GLU A 1 146 ? -6.007  17.605 -16.437 1   39.243 ? 146 GLU A O    1 ? 1 
ATOM   2166 C  CB   . GLU A 1 146 ? -5.372  15.651 -19.006 1   54.946 ? 146 GLU A CB   1 ? 1 
ATOM   2167 C  CG   . GLU A 1 146 ? -6.83   15.425 -18.605 1   60.78  ? 146 GLU A CG   1 ? 1 
ATOM   2168 C  CD   . GLU A 1 146 ? -7.902  14.89  -19.558 1   69.66  ? 146 GLU A CD   1 ? 1 
ATOM   2169 O  OE1  . GLU A 1 146 ? -8.893  14.453 -18.902 1   67.412 ? 146 GLU A OE1  1 ? 1 
ATOM   2170 O  OE2  . GLU A 1 146 ? -7.852  14.922 -20.836 1   73.675 ? 146 GLU A OE2  1 ? 1 
ATOM   2171 H  H    . GLU A 1 146 ? -5.113  15.234 -16.26  1   39.676 ? 146 GLU A H    1 c 1 
ATOM   2172 H  HA   . GLU A 1 146 ? -3.666  16.561 -18.256 1   42.015 ? 146 GLU A HA   1 c 1 
ATOM   2173 H  HB2  . GLU A 1 146 ? -5.34   16.212 -19.809 1   42.302 ? 146 GLU A HB2  1 c 1 
ATOM   2174 H  HB3  . GLU A 1 146 ? -4.959  14.79  -19.224 1   43.184 ? 146 GLU A HB3  1 c 1 
ATOM   2175 H  HG2  . GLU A 1 146 ? -6.824  14.825 -17.829 1   40.026 ? 146 GLU A HG2  1 c 1 
ATOM   2176 H  HG3  . GLU A 1 146 ? -7.171  16.277 -18.264 1   39.072 ? 146 GLU A HG3  1 c 1 
ATOM   2177 N  N    . THR A 1 147 ? -4.957  18.669 -18.124 1   38.928 ? 147 THR A N    1 ? 1 
ATOM   2178 C  CA   . THR A 1 147 ? -5.487  19.989 -17.844 1   37.803 ? 147 THR A CA   1 ? 1 
ATOM   2179 C  C    . THR A 1 147 ? -6.189  20.443 -19.121 1   37.549 ? 147 THR A C    1 ? 1 
ATOM   2180 O  O    . THR A 1 147 ? -5.562  20.412 -20.17  1   35.376 ? 147 THR A O    1 ? 1 
ATOM   2181 C  CB   . THR A 1 147 ? -4.309  20.891 -17.466 1   39.268 ? 147 THR A CB   1 ? 1 
ATOM   2182 O  OG1  . THR A 1 147 ? -3.888  20.564 -16.146 1   37.811 ? 147 THR A OG1  1 ? 1 
ATOM   2183 C  CG2  . THR A 1 147 ? -4.678  22.361 -17.46  1   39.956 ? 147 THR A CG2  1 ? 1 
ATOM   2184 H  H    . THR A 1 147 ? -4.396  18.576 -18.839 1   40.585 ? 147 THR A H    1 c 1 
ATOM   2185 H  HA   . THR A 1 147 ? -6.127  19.944 -17.102 1   36.802 ? 147 THR A HA   1 c 1 
ATOM   2186 H  HB   . THR A 1 147 ? -3.562  20.744 -18.094 1   39.764 ? 147 THR A HB   1 c 1 
ATOM   2187 H  HG1  . THR A 1 147 ? -4.536  20.692 -15.591 0   30     ? 147 THR A HG1  1 c 1 
ATOM   2188 H  HG21 . THR A 1 147 ? -3.936  22.879 -17.101 1   38.08  ? 147 THR A HG21 1 c 1 
ATOM   2189 H  HG22 . THR A 1 147 ? -5.465  22.496 -16.905 1   36.588 ? 147 THR A HG22 1 c 1 
ATOM   2190 H  HG23 . THR A 1 147 ? -4.866  22.655 -18.367 1   38.344 ? 147 THR A HG23 1 c 1 
ATOM   2191 N  N    . GLY A 1 148 ? -7.484  20.799 -19.037 1   37.013 ? 148 GLY A N    1 ? 1 
ATOM   2192 C  CA   . GLY A 1 148 ? -8.22   21.351 -20.165 1   34.935 ? 148 GLY A CA   1 ? 1 
ATOM   2193 C  C    . GLY A 1 148 ? -7.837  22.81  -20.437 1   36.652 ? 148 GLY A C    1 ? 1 
ATOM   2194 O  O    . GLY A 1 148 ? -7.019  23.402 -19.731 1   38.658 ? 148 GLY A O    1 ? 1 
ATOM   2195 H  H    . GLY A 1 148 ? -7.922  20.691 -18.242 1   36.382 ? 148 GLY A H    1 c 1 
ATOM   2196 H  HA2  . GLY A 1 148 ? -8.036  20.808 -20.968 1   42.245 ? 148 GLY A HA2  1 c 1 
ATOM   2197 H  HA3  . GLY A 1 148 ? -9.186  21.295 -19.977 1   40.399 ? 148 GLY A HA3  1 c 1 
ATOM   2198 N  N    . GLU A 1 149 ? -8.424  23.371 -21.492 1   36.11  ? 149 GLU A N    1 ? 1 
ATOM   2199 C  CA   . GLU A 1 149 ? -8.197  24.754 -21.88  1   36.057 ? 149 GLU A CA   1 ? 1 
ATOM   2200 C  C    . GLU A 1 149 ? -9.069  25.681 -21.054 1   33.413 ? 149 GLU A C    1 ? 1 
ATOM   2201 O  O    . GLU A 1 149 ? -10.086 25.241 -20.542 1   30.978 ? 149 GLU A O    1 ? 1 
ATOM   2202 C  CB   . GLU A 1 149 ? -8.591  24.957 -23.339 1   39.51  ? 149 GLU A CB   1 ? 1 
ATOM   2203 C  CG   . GLU A 1 149 ? -7.735  24.12  -24.279 1   42.548 ? 149 GLU A CG   1 ? 1 
ATOM   2204 C  CD   . GLU A 1 149 ? -6.279  24.547 -24.227 1   44.116 ? 149 GLU A CD   1 ? 1 
ATOM   2205 O  OE1  . GLU A 1 149 ? -6.039  25.763 -24.422 1   46.052 ? 149 GLU A OE1  1 ? 1 
ATOM   2206 O  OE2  . GLU A 1 149 ? -5.403  23.697 -23.977 1   43.925 ? 149 GLU A OE2  1 ? 1 
ATOM   2207 H  H    . GLU A 1 149 ? -8.998  22.867 -21.994 1   39.504 ? 149 GLU A H    1 c 1 
ATOM   2208 H  HA   . GLU A 1 149 ? -7.243  24.98  -21.738 1   40.074 ? 149 GLU A HA   1 c 1 
ATOM   2209 H  HB2  . GLU A 1 149 ? -9.533  24.71  -23.452 1   41.096 ? 149 GLU A HB2  1 c 1 
ATOM   2210 H  HB3  . GLU A 1 149 ? -8.5    25.906 -23.566 1   41.789 ? 149 GLU A HB3  1 c 1 
ATOM   2211 H  HG2  . GLU A 1 149 ? -7.802  23.173 -24.033 1   42.741 ? 149 GLU A HG2  1 c 1 
ATOM   2212 H  HG3  . GLU A 1 149 ? -8.059  24.227 -25.195 1   44.176 ? 149 GLU A HG3  1 c 1 
ATOM   2213 N  N    . TRP A 1 150 ? -8.681  26.966 -20.992 1   31.729 ? 150 TRP A N    1 ? 1 
ATOM   2214 C  CA   . TRP A 1 150 ? -9.479  27.974 -20.323 1   31.604 ? 150 TRP A CA   1 ? 1 
ATOM   2215 C  C    . TRP A 1 150 ? -10.806 28.166 -21.058 1   31.873 ? 150 TRP A C    1 ? 1 
ATOM   2216 O  O    . TRP A 1 150 ? -10.832 28.223 -22.276 1   33.819 ? 150 TRP A O    1 ? 1 
ATOM   2217 C  CB   . TRP A 1 150 ? -8.688  29.282 -20.214 1   32.264 ? 150 TRP A CB   1 ? 1 
ATOM   2218 C  CG   . TRP A 1 150 ? -7.607  29.264 -19.162 1   33.207 ? 150 TRP A CG   1 ? 1 
ATOM   2219 C  CD1  . TRP A 1 150 ? -6.257  29.255 -19.385 1   35.745 ? 150 TRP A CD1  1 ? 1 
ATOM   2220 C  CD2  . TRP A 1 150 ? -7.778  29.299 -17.724 1   31.278 ? 150 TRP A CD2  1 ? 1 
ATOM   2221 N  NE1  . TRP A 1 150 ? -5.575  29.26  -18.192 1   34.998 ? 150 TRP A NE1  1 ? 1 
ATOM   2222 C  CE2  . TRP A 1 150 ? -6.479  29.291 -17.155 1   32.745 ? 150 TRP A CE2  1 ? 1 
ATOM   2223 C  CE3  . TRP A 1 150 ? -8.889  29.339 -16.868 1   29.961 ? 150 TRP A CE3  1 ? 1 
ATOM   2224 C  CZ2  . TRP A 1 150 ? -6.269  29.339 -15.78  1   32.085 ? 150 TRP A CZ2  1 ? 1 
ATOM   2225 C  CZ3  . TRP A 1 150 ? -8.686  29.366 -15.503 1   30.057 ? 150 TRP A CZ3  1 ? 1 
ATOM   2226 C  CH2  . TRP A 1 150 ? -7.388  29.381 -14.971 1   31.874 ? 150 TRP A CH2  1 ? 1 
ATOM   2227 H  H    . TRP A 1 150 ? -7.893  27.215 -21.383 1   39.752 ? 150 TRP A H    1 c 1 
ATOM   2228 H  HA   . TRP A 1 150 ? -9.672  27.653 -19.402 1   37.18  ? 150 TRP A HA   1 c 1 
ATOM   2229 H  HB2  . TRP A 1 150 ? -8.28   29.474 -21.085 1   40.221 ? 150 TRP A HB2  1 c 1 
ATOM   2230 H  HB3  . TRP A 1 150 ? -9.314  30.009 -20.01  1   39.086 ? 150 TRP A HB3  1 c 1 
ATOM   2231 H  HD1  . TRP A 1 150 ? -5.845  29.226 -20.234 1   40.6   ? 150 TRP A HD1  1 c 1 
ATOM   2232 H  HE1  . TRP A 1 150 ? -4.707  29.253 -18.107 1   39.597 ? 150 TRP A HE1  1 c 1 
ATOM   2233 H  HE3  . TRP A 1 150 ? -9.762  29.338 -17.222 1   36.228 ? 150 TRP A HE3  1 c 1 
ATOM   2234 H  HZ2  . TRP A 1 150 ? -5.4    29.336 -15.418 1   37.288 ? 150 TRP A HZ2  1 c 1 
ATOM   2235 H  HZ3  . TRP A 1 150 ? -9.428  29.399 -14.922 1   34.942 ? 150 TRP A HZ3  1 c 1 
ATOM   2236 H  HH2  . TRP A 1 150 ? -7.275  29.398 -14.037 1   35.431 ? 150 TRP A HH2  1 c 1 
ATOM   2237 N  N    . LEU A 1 151 ? -11.902 28.26  -20.301 1   31.923 ? 151 LEU A N    1 ? 1 
ATOM   2238 C  CA   . LEU A 1 151 ? -13.246 28.443 -20.835 1   31.917 ? 151 LEU A CA   1 ? 1 
ATOM   2239 C  C    . LEU A 1 151 ? -13.872 29.681 -20.202 1   32.107 ? 151 LEU A C    1 ? 1 
ATOM   2240 O  O    . LEU A 1 151 ? -13.633 29.959 -19.028 1   29.771 ? 151 LEU A O    1 ? 1 
ATOM   2241 C  CB   . LEU A 1 151 ? -14.04  27.202 -20.457 1   33.851 ? 151 LEU A CB   1 ? 1 
ATOM   2242 C  CG   . LEU A 1 151 ? -13.511 25.883 -21.019 1   36.001 ? 151 LEU A CG   1 ? 1 
ATOM   2243 C  CD1  . LEU A 1 151 ? -14.168 24.753 -20.268 1   37.325 ? 151 LEU A CD1  1 ? 1 
ATOM   2244 C  CD2  . LEU A 1 151 ? -13.779 25.796 -22.519 1   39.438 ? 151 LEU A CD2  1 ? 1 
ATOM   2245 H  H    . LEU A 1 151 ? -11.807 28.21  -19.393 1   37.013 ? 151 LEU A H    1 c 1 
ATOM   2246 H  HA   . LEU A 1 151 ? -13.206 28.541 -21.82  1   39.65  ? 151 LEU A HA   1 c 1 
ATOM   2247 H  HB2  . LEU A 1 151 ? -14.058 27.137 -19.474 1   36.676 ? 151 LEU A HB2  1 c 1 
ATOM   2248 H  HB3  . LEU A 1 151 ? -14.966 27.324 -20.768 1   38.224 ? 151 LEU A HB3  1 c 1 
ATOM   2249 H  HG   . LEU A 1 151 ? -12.533 25.84  -20.866 1   37.571 ? 151 LEU A HG   1 c 1 
ATOM   2250 H  HD11 . LEU A 1 151 ? -13.846 24.744 -19.35  1   35.813 ? 151 LEU A HD11 1 c 1 
ATOM   2251 H  HD12 . LEU A 1 151 ? -13.948 23.908 -20.696 1   37.114 ? 151 LEU A HD12 1 c 1 
ATOM   2252 H  HD13 . LEU A 1 151 ? -15.13  24.882 -20.271 1   36.98  ? 151 LEU A HD13 1 c 1 
ATOM   2253 H  HD21 . LEU A 1 151 ? -13.401 26.573 -22.961 1   40.23  ? 151 LEU A HD21 1 c 1 
ATOM   2254 H  HD22 . LEU A 1 151 ? -14.738 25.77  -22.676 1   39.844 ? 151 LEU A HD22 1 c 1 
ATOM   2255 H  HD23 . LEU A 1 151 ? -13.37  24.99  -22.876 1   39.778 ? 151 LEU A HD23 1 c 1 
ATOM   2256 N  N    . ALA A 1 152 ? -14.666 30.401 -20.998 1   33.229 ? 152 ALA A N    1 ? 1 
ATOM   2257 C  CA   . ALA A 1 152 ? -15.465 31.516 -20.527 1   34.767 ? 152 ALA A CA   1 ? 1 
ATOM   2258 C  C    . ALA A 1 152 ? -16.717 31.014 -19.807 1   34.416 ? 152 ALA A C    1 ? 1 
ATOM   2259 O  O    . ALA A 1 152 ? -17.55  30.331 -20.391 1   34.292 ? 152 ALA A O    1 ? 1 
ATOM   2260 C  CB   . ALA A 1 152 ? -15.822 32.401 -21.699 1   37.21  ? 152 ALA A CB   1 ? 1 
ATOM   2261 H  H    . ALA A 1 152 ? -14.711 30.182 -21.884 1   40.943 ? 152 ALA A H    1 c 1 
ATOM   2262 H  HA   . ALA A 1 152 ? -14.919 32.041 -19.879 1   40.477 ? 152 ALA A HA   1 c 1 
ATOM   2263 H  HB1  . ALA A 1 152 ? -15.01  32.747 -22.106 1   43.344 ? 152 ALA A HB1  1 c 1 
ATOM   2264 H  HB2  . ALA A 1 152 ? -16.317 31.887 -22.357 1   43.345 ? 152 ALA A HB2  1 c 1 
ATOM   2265 H  HB3  . ALA A 1 152 ? -16.369 33.144 -21.393 1   43.523 ? 152 ALA A HB3  1 c 1 
ATOM   2266 N  N    . SER A 1 153 ? -16.864 31.392 -18.538 1   33.01  ? 153 SER A N    1 ? 1 
ATOM   2267 C  CA   . SER A 1 153 ? -18.102 31.163 -17.818 1   34.142 ? 153 SER A CA   1 ? 1 
ATOM   2268 C  C    . SER A 1 153 ? -19.113 32.232 -18.212 1   36.109 ? 153 SER A C    1 ? 1 
ATOM   2269 O  O    . SER A 1 153 ? -18.726 33.339 -18.61  1   34.87  ? 153 SER A O    1 ? 1 
ATOM   2270 C  CB   . SER A 1 153 ? -17.864 31.153 -16.321 1   33.64  ? 153 SER A CB   1 ? 1 
ATOM   2271 O  OG   . SER A 1 153 ? -19.068 31.322 -15.585 1   34.221 ? 153 SER A OG   1 ? 1 
ATOM   2272 H  H    . SER A 1 153 ? -16.172 31.805 -18.107 1   39.258 ? 153 SER A H    1 c 1 
ATOM   2273 H  HA   . SER A 1 153 ? -18.458 30.279 -18.085 1   39.147 ? 153 SER A HA   1 c 1 
ATOM   2274 H  HB2  . SER A 1 153 ? -17.45  30.307 -16.068 1   37.176 ? 153 SER A HB2  1 c 1 
ATOM   2275 H  HB3  . SER A 1 153 ? -17.247 31.871 -16.089 1   38.496 ? 153 SER A HB3  1 c 1 
ATOM   2276 H  HG   . SER A 1 153 ? -18.891 31.311 -14.767 0   30     ? 153 SER A HG   1 c 1 
ATOM   2277 N  N    . ARG A 1 154 ? -20.405 31.899 -18.045 1   36.703 ? 154 ARG A N    1 ? 1 
ATOM   2278 C  CA   . ARG A 1 154 ? -21.482 32.859 -18.219 1   39.925 ? 154 ARG A CA   1 ? 1 
ATOM   2279 C  C    . ARG A 1 154 ? -21.239 34.054 -17.294 1   38.101 ? 154 ARG A C    1 ? 1 
ATOM   2280 O  O    . ARG A 1 154 ? -21.699 35.159 -17.589 1   39.613 ? 154 ARG A O    1 ? 1 
ATOM   2281 C  CB   . ARG A 1 154 ? -22.83  32.194 -17.883 1   44.684 ? 154 ARG A CB   1 ? 1 
ATOM   2282 C  CG   . ARG A 1 154 ? -24.067 32.712 -18.596 1   55.121 ? 154 ARG A CG   1 ? 1 
ATOM   2283 C  CD   . ARG A 1 154 ? -23.934 32.514 -20.108 1   63.844 ? 154 ARG A CD   1 ? 1 
ATOM   2284 N  NE   . ARG A 1 154 ? -25.269 32.239 -20.628 1   71.563 ? 154 ARG A NE   1 ? 1 
ATOM   2285 C  CZ   . ARG A 1 154 ? -25.842 31.054 -20.586 1   74.476 ? 154 ARG A CZ   1 ? 1 
ATOM   2286 N  NH1  . ARG A 1 154 ? -25.375 29.978 -21.218 1   76.699 ? 154 ARG A NH1  1 ? 1 
ATOM   2287 N  NH2  . ARG A 1 154 ? -27.023 31.042 -20.03  1   79.639 ? 154 ARG A NH2  1 ? 1 
ATOM   2288 H  H    . ARG A 1 154 ? -20.615 31.041 -17.813 1   41.248 ? 154 ARG A H    1 c 1 
ATOM   2289 H  HA   . ARG A 1 154 ? -21.48  33.171 -19.159 1   45.27  ? 154 ARG A HA   1 c 1 
ATOM   2290 H  HB2  . ARG A 1 154 ? -22.751 31.236 -18.075 1   43.757 ? 154 ARG A HB2  1 c 1 
ATOM   2291 H  HB3  . ARG A 1 154 ? -22.977 32.282 -16.917 1   44.263 ? 154 ARG A HB3  1 c 1 
ATOM   2292 H  HG2  . ARG A 1 154 ? -24.859 32.231 -18.271 1   47.507 ? 154 ARG A HG2  1 c 1 
ATOM   2293 H  HG3  . ARG A 1 154 ? -24.181 33.668 -18.403 1   48.355 ? 154 ARG A HG3  1 c 1 
ATOM   2294 H  HD2  . ARG A 1 154 ? -23.571 33.318 -20.532 1   48.968 ? 154 ARG A HD2  1 c 1 
ATOM   2295 H  HD3  . ARG A 1 154 ? -23.348 31.756 -20.295 1   46.832 ? 154 ARG A HD3  1 c 1 
ATOM   2296 H  HE   . ARG A 1 154 ? -25.713 32.894 -20.991 1   51.791 ? 154 ARG A HE   1 c 1 
ATOM   2297 H  HH11 . ARG A 1 154 ? -24.67  30.051 -21.746 1   48.431 ? 154 ARG A HH11 1 c 1 
ATOM   2298 H  HH12 . ARG A 1 154 ? -25.771 29.195 -21.108 1   48.572 ? 154 ARG A HH12 1 c 1 
ATOM   2299 H  HH21 . ARG A 1 154 ? -27.361 31.787 -19.692 1   51.899 ? 154 ARG A HH21 1 c 1 
ATOM   2300 H  HH22 . ARG A 1 154 ? -27.485 30.289 -19.991 1   50.922 ? 154 ARG A HH22 1 c 1 
ATOM   2301 N  N    . SER A 1 155 ? -20.54  33.803 -16.172 1   36.654 ? 155 SER A N    1 ? 1 
ATOM   2302 C  CA   . SER A 1 155 ? -20.222 34.808 -15.162 1   38.2   ? 155 SER A CA   1 ? 1 
ATOM   2303 C  C    . SER A 1 155 ? -19.277 35.905 -15.683 1   38.719 ? 155 SER A C    1 ? 1 
ATOM   2304 O  O    . SER A 1 155 ? -19.24  37.01  -15.137 1   39.103 ? 155 SER A O    1 ? 1 
ATOM   2305 C  CB   . SER A 1 155 ? -19.605 34.147 -13.967 1   36.673 ? 155 SER A CB   1 ? 1 
ATOM   2306 O  OG   . SER A 1 155 ? -18.261 33.766 -14.246 1   38.072 ? 155 SER A OG   1 ? 1 
ATOM   2307 H  H    . SER A 1 155 ? -20.265 32.946 -16.017 1   41.718 ? 155 SER A H    1 c 1 
ATOM   2308 H  HA   . SER A 1 155 ? -21.069 35.238 -14.879 1   44.782 ? 155 SER A HA   1 c 1 
ATOM   2309 H  HB2  . SER A 1 155 ? -19.618 34.764 -13.211 1   42.228 ? 155 SER A HB2  1 c 1 
ATOM   2310 H  HB3  . SER A 1 155 ? -20.125 33.357 -13.727 1   41.027 ? 155 SER A HB3  1 c 1 
ATOM   2311 H  HG   . SER A 1 155 ? -17.931 33.395 -13.562 0   30     ? 155 SER A HG   1 c 1 
ATOM   2312 N  N    . GLY A 1 156 ? -18.461 35.585 -16.694 1   36.496 ? 156 GLY A N    1 ? 1 
ATOM   2313 C  CA   . GLY A 1 156 ? -17.454 36.512 -17.185 1   34.862 ? 156 GLY A CA   1 ? 1 
ATOM   2314 C  C    . GLY A 1 156 ? -16.05  36.129 -16.715 1   33.962 ? 156 GLY A C    1 ? 1 
ATOM   2315 O  O    . GLY A 1 156 ? -15.064 36.691 -17.204 1   32.177 ? 156 GLY A O    1 ? 1 
ATOM   2316 H  H    . GLY A 1 156 ? -18.525 34.762 -17.083 1   43.137 ? 156 GLY A H    1 c 1 
ATOM   2317 H  HA2  . GLY A 1 156 ? -17.479 36.517 -18.169 1   45.481 ? 156 GLY A HA2  1 c 1 
ATOM   2318 H  HA3  . GLY A 1 156 ? -17.668 37.423 -16.874 1   46.13  ? 156 GLY A HA3  1 c 1 
ATOM   2319 N  N    . LEU A 1 157 ? -15.964 35.195 -15.755 1   32.791 ? 157 LEU A N    1 ? 1 
ATOM   2320 C  CA   . LEU A 1 157 ? -14.68  34.667 -15.316 1   33.59  ? 157 LEU A CA   1 ? 1 
ATOM   2321 C  C    . LEU A 1 157 ? -14.306 33.522 -16.24  1   33.018 ? 157 LEU A C    1 ? 1 
ATOM   2322 O  O    . LEU A 1 157 ? -15.18  32.999 -16.908 1   34.501 ? 157 LEU A O    1 ? 1 
ATOM   2323 C  CB   . LEU A 1 157 ? -14.749 34.139 -13.883 1   32.9   ? 157 LEU A CB   1 ? 1 
ATOM   2324 C  CG   . LEU A 1 157 ? -15.145 35.139 -12.793 1   34.686 ? 157 LEU A CG   1 ? 1 
ATOM   2325 C  CD1  . LEU A 1 157 ? -15.274 34.391 -11.461 1   34.702 ? 157 LEU A CD1  1 ? 1 
ATOM   2326 C  CD2  . LEU A 1 157 ? -14.133 36.275 -12.7   1   35.136 ? 157 LEU A CD2  1 ? 1 
ATOM   2327 H  H    . LEU A 1 157 ? -16.725 34.882 -15.357 1   41.243 ? 157 LEU A H    1 c 1 
ATOM   2328 H  HA   . LEU A 1 157 ? -13.995 35.38  -15.378 1   40.848 ? 157 LEU A HA   1 c 1 
ATOM   2329 H  HB2  . LEU A 1 157 ? -15.392 33.393 -13.864 1   38.223 ? 157 LEU A HB2  1 c 1 
ATOM   2330 H  HB3  . LEU A 1 157 ? -13.867 33.766 -13.653 1   38.142 ? 157 LEU A HB3  1 c 1 
ATOM   2331 H  HG   . LEU A 1 157 ? -16.029 35.523 -13.025 1   40.908 ? 157 LEU A HG   1 c 1 
ATOM   2332 H  HD11 . LEU A 1 157 ? -15.955 33.703 -11.539 1   38.191 ? 157 LEU A HD11 1 c 1 
ATOM   2333 H  HD12 . LEU A 1 157 ? -15.526 35.016 -10.76  1   39.616 ? 157 LEU A HD12 1 c 1 
ATOM   2334 H  HD13 . LEU A 1 157 ? -14.422 33.98  -11.235 1   37.954 ? 157 LEU A HD13 1 c 1 
ATOM   2335 H  HD21 . LEU A 1 157 ? -14.132 36.78  -13.531 1   42.135 ? 157 LEU A HD21 1 c 1 
ATOM   2336 H  HD22 . LEU A 1 157 ? -13.246 35.908 -12.544 1   40.452 ? 157 LEU A HD22 1 c 1 
ATOM   2337 H  HD23 . LEU A 1 157 ? -14.373 36.864 -11.965 1   41.996 ? 157 LEU A HD23 1 c 1 
ATOM   2338 N  N    . ARG A 1 158 ? -13.025 33.133 -16.24  1   31.935 ? 158 ARG A N    1 ? 1 
ATOM   2339 C  CA   . ARG A 1 158 ? -12.603 31.922 -16.926 1   31.965 ? 158 ARG A CA   1 ? 1 
ATOM   2340 C  C    . ARG A 1 158 ? -12.41  30.764 -15.935 1   30.813 ? 158 ARG A C    1 ? 1 
ATOM   2341 O  O    . ARG A 1 158 ? -12.124 30.936 -14.752 1   31.192 ? 158 ARG A O    1 ? 1 
ATOM   2342 C  CB   . ARG A 1 158 ? -11.34  32.201 -17.745 1   33.053 ? 158 ARG A CB   1 ? 1 
ATOM   2343 C  CG   . ARG A 1 158 ? -11.485 33.338 -18.757 1   36.872 ? 158 ARG A CG   1 ? 1 
ATOM   2344 C  CD   . ARG A 1 158 ? -10.402 33.284 -19.82  1   37.915 ? 158 ARG A CD   1 ? 1 
ATOM   2345 N  NE   . ARG A 1 158 ? -9.057  33.251 -19.233 1   39.904 ? 158 ARG A NE   1 ? 1 
ATOM   2346 C  CZ   . ARG A 1 158 ? -7.892  32.986 -19.857 1   41.742 ? 158 ARG A CZ   1 ? 1 
ATOM   2347 N  NH1  . ARG A 1 158 ? -7.867  32.54  -21.103 1   42.705 ? 158 ARG A NH1  1 ? 1 
ATOM   2348 N  NH2  . ARG A 1 158 ? -6.742  33.139 -19.22  1   39.7   ? 158 ARG A NH2  1 ? 1 
ATOM   2349 H  H    . ARG A 1 158 ? -12.4   33.635 -15.803 1   38.733 ? 158 ARG A H    1 c 1 
ATOM   2350 H  HA   . ARG A 1 158 ? -13.317 31.667 -17.559 1   37.945 ? 158 ARG A HA   1 c 1 
ATOM   2351 H  HB2  . ARG A 1 158 ? -10.61  32.42  -17.128 1   38.368 ? 158 ARG A HB2  1 c 1 
ATOM   2352 H  HB3  . ARG A 1 158 ? -11.089 31.383 -18.224 1   38.178 ? 158 ARG A HB3  1 c 1 
ATOM   2353 H  HG2  . ARG A 1 158 ? -12.364 33.277 -19.191 1   40.624 ? 158 ARG A HG2  1 c 1 
ATOM   2354 H  HG3  . ARG A 1 158 ? -11.433 34.199 -18.289 1   40.895 ? 158 ARG A HG3  1 c 1 
ATOM   2355 H  HD2  . ARG A 1 158 ? -10.534 32.485 -20.369 1   41.004 ? 158 ARG A HD2  1 c 1 
ATOM   2356 H  HD3  . ARG A 1 158 ? -10.481 34.068 -20.402 1   42.558 ? 158 ARG A HD3  1 c 1 
ATOM   2357 H  HE   . ARG A 1 158 ? -8.997  33.433 -18.386 1   40.588 ? 158 ARG A HE   1 c 1 
ATOM   2358 H  HH11 . ARG A 1 158 ? -8.618  32.439 -21.556 1   42.614 ? 158 ARG A HH11 1 c 1 
ATOM   2359 H  HH12 . ARG A 1 158 ? -7.094  32.343 -21.484 1   43.128 ? 158 ARG A HH12 1 c 1 
ATOM   2360 H  HH21 . ARG A 1 158 ? -6.727  33.514 -18.419 1   41.654 ? 158 ARG A HH21 1 c 1 
ATOM   2361 H  HH22 . ARG A 1 158 ? -5.988  32.868 -19.597 1   42.433 ? 158 ARG A HH22 1 c 1 
ATOM   2362 N  N    . TYR A 1 159 ? -12.531 29.538 -16.438 1   30.939 ? 159 TYR A N    1 ? 1 
ATOM   2363 C  CA   . TYR A 1 159 ? -12.3   28.367 -15.617 1   28.541 ? 159 TYR A CA   1 ? 1 
ATOM   2364 C  C    . TYR A 1 159 ? -11.73  27.262 -16.492 1   27.711 ? 159 TYR A C    1 ? 1 
ATOM   2365 O  O    . TYR A 1 159 ? -11.786 27.317 -17.717 1   27.672 ? 159 TYR A O    1 ? 1 
ATOM   2366 C  CB   . TYR A 1 159 ? -13.612 27.946 -14.946 1   30.612 ? 159 TYR A CB   1 ? 1 
ATOM   2367 C  CG   . TYR A 1 159 ? -14.643 27.44  -15.938 1   31.16  ? 159 TYR A CG   1 ? 1 
ATOM   2368 C  CD1  . TYR A 1 159 ? -15.36  28.319 -16.738 1   32.038 ? 159 TYR A CD1  1 ? 1 
ATOM   2369 C  CD2  . TYR A 1 159 ? -14.849 26.077 -16.114 1   31.524 ? 159 TYR A CD2  1 ? 1 
ATOM   2370 C  CE1  . TYR A 1 159 ? -16.279 27.856 -17.669 1   33.732 ? 159 TYR A CE1  1 ? 1 
ATOM   2371 C  CE2  . TYR A 1 159 ? -15.775 25.605 -17.035 1   33.545 ? 159 TYR A CE2  1 ? 1 
ATOM   2372 C  CZ   . TYR A 1 159 ? -16.505 26.494 -17.81  1   33.702 ? 159 TYR A CZ   1 ? 1 
ATOM   2373 O  OH   . TYR A 1 159 ? -17.397 26.013 -18.747 1   33.231 ? 159 TYR A OH   1 ? 1 
ATOM   2374 H  H    . TYR A 1 159 ? -12.764 29.428 -17.315 1   35.992 ? 159 TYR A H    1 c 1 
ATOM   2375 H  HA   . TYR A 1 159 ? -11.638 28.594 -14.915 1   33.98  ? 159 TYR A HA   1 c 1 
ATOM   2376 H  HB2  . TYR A 1 159 ? -13.418 27.237 -14.292 1   32.884 ? 159 TYR A HB2  1 c 1 
ATOM   2377 H  HB3  . TYR A 1 159 ? -13.981 28.719 -14.463 1   33.9   ? 159 TYR A HB3  1 c 1 
ATOM   2378 H  HD1  . TYR A 1 159 ? -15.224 29.249 -16.644 1   35.811 ? 159 TYR A HD1  1 c 1 
ATOM   2379 H  HD2  . TYR A 1 159 ? -14.367 25.462 -15.585 1   33.001 ? 159 TYR A HD2  1 c 1 
ATOM   2380 H  HE1  . TYR A 1 159 ? -16.767 28.468 -18.194 1   37.03  ? 159 TYR A HE1  1 c 1 
ATOM   2381 H  HE2  . TYR A 1 159 ? -15.909 24.679 -17.135 1   34.252 ? 159 TYR A HE2  1 c 1 
ATOM   2382 H  HH   . TYR A 1 159 ? -16.993 25.868 -19.489 0   30     ? 159 TYR A HH   1 c 1 
ATOM   2383 N  N    . ARG A 1 160 ? -11.153 26.264 -15.838 1   27.555 ? 160 ARG A N    1 ? 1 
ATOM   2384 C  CA   . ARG A 1 160 ? -10.653 25.105 -16.547 1   28.141 ? 160 ARG A CA   1 ? 1 
ATOM   2385 C  C    . ARG A 1 160 ? -10.664 23.907 -15.609 1   27.614 ? 160 ARG A C    1 ? 1 
ATOM   2386 O  O    . ARG A 1 160 ? -10.687 24.073 -14.389 1   27.973 ? 160 ARG A O    1 ? 1 
ATOM   2387 C  CB   . ARG A 1 160 ? -9.276  25.374 -17.156 1   29.473 ? 160 ARG A CB   1 ? 1 
ATOM   2388 C  CG   . ARG A 1 160 ? -8.155  25.542 -16.155 1   28.684 ? 160 ARG A CG   1 ? 1 
ATOM   2389 C  CD   . ARG A 1 160 ? -6.859  25.687 -16.939 1   31.405 ? 160 ARG A CD   1 ? 1 
ATOM   2390 N  NE   . ARG A 1 160 ? -5.819  26.016 -15.97  1   30.266 ? 160 ARG A NE   1 ? 1 
ATOM   2391 C  CZ   . ARG A 1 160 ? -4.524  26.147 -16.194 1   33.486 ? 160 ARG A CZ   1 ? 1 
ATOM   2392 N  NH1  . ARG A 1 160 ? -4.03   26.075 -17.411 1   34.975 ? 160 ARG A NH1  1 ? 1 
ATOM   2393 N  NH2  . ARG A 1 160 ? -3.727  26.429 -15.179 1   35.382 ? 160 ARG A NH2  1 ? 1 
ATOM   2394 H  H    . ARG A 1 160 ? -11.066 26.303 -14.928 1   32.939 ? 160 ARG A H    1 c 1 
ATOM   2395 H  HA   . ARG A 1 160 ? -11.278 24.911 -17.291 1   36.21  ? 160 ARG A HA   1 c 1 
ATOM   2396 H  HB2  . ARG A 1 160 ? -9.051  24.63  -17.755 1   35.115 ? 160 ARG A HB2  1 c 1 
ATOM   2397 H  HB3  . ARG A 1 160 ? -9.33   26.186 -17.702 1   35.298 ? 160 ARG A HB3  1 c 1 
ATOM   2398 H  HG2  . ARG A 1 160 ? -8.306  26.347 -15.613 1   34.268 ? 160 ARG A HG2  1 c 1 
ATOM   2399 H  HG3  . ARG A 1 160 ? -8.1    24.756 -15.57  1   33.939 ? 160 ARG A HG3  1 c 1 
ATOM   2400 H  HD2  . ARG A 1 160 ? -6.634  24.85  -17.395 1   36.151 ? 160 ARG A HD2  1 c 1 
ATOM   2401 H  HD3  . ARG A 1 160 ? -6.933  26.403 -17.602 1   36.452 ? 160 ARG A HD3  1 c 1 
ATOM   2402 H  HE   . ARG A 1 160 ? -6.076  26.142 -15.146 1   35.232 ? 160 ARG A HE   1 c 1 
ATOM   2403 H  HH11 . ARG A 1 160 ? -4.538  26.326 -18.112 1   38.62  ? 160 ARG A HH11 1 c 1 
ATOM   2404 H  HH12 . ARG A 1 160 ? -3.187  25.776 -17.524 1   39.293 ? 160 ARG A HH12 1 c 1 
ATOM   2405 H  HH21 . ARG A 1 160 ? -4.028  26.369 -14.347 1   36.52  ? 160 ARG A HH21 1 c 1 
ATOM   2406 H  HH22 . ARG A 1 160 ? -2.89   26.678 -15.336 1   38.281 ? 160 ARG A HH22 1 c 1 
ATOM   2407 N  N    . PHE A 1 161 ? -10.645 22.713 -16.214 1   27.612 ? 161 PHE A N    1 ? 1 
ATOM   2408 C  CA   . PHE A 1 161 ? -10.714 21.462 -15.476 1   29.419 ? 161 PHE A CA   1 ? 1 
ATOM   2409 C  C    . PHE A 1 161 ? -9.351  20.777 -15.454 1   29.463 ? 161 PHE A C    1 ? 1 
ATOM   2410 O  O    . PHE A 1 161 ? -8.65   20.732 -16.465 1   32.467 ? 161 PHE A O    1 ? 1 
ATOM   2411 C  CB   . PHE A 1 161 ? -11.794 20.593 -16.134 1   30.432 ? 161 PHE A CB   1 ? 1 
ATOM   2412 C  CG   . PHE A 1 161 ? -13.203 21.168 -16.041 1   30.76  ? 161 PHE A CG   1 ? 1 
ATOM   2413 C  CD1  . PHE A 1 161 ? -13.773 21.522 -14.819 1   31.103 ? 161 PHE A CD1  1 ? 1 
ATOM   2414 C  CD2  . PHE A 1 161 ? -13.97  21.348 -17.187 1   34.747 ? 161 PHE A CD2  1 ? 1 
ATOM   2415 C  CE1  . PHE A 1 161 ? -15.066 22.044 -14.76  1   31.6   ? 161 PHE A CE1  1 ? 1 
ATOM   2416 C  CE2  . PHE A 1 161 ? -15.268 21.85  -17.114 1   33.602 ? 161 PHE A CE2  1 ? 1 
ATOM   2417 C  CZ   . PHE A 1 161 ? -15.809 22.186 -15.908 1   31.87  ? 161 PHE A CZ   1 ? 1 
ATOM   2418 H  H    . PHE A 1 161 ? -10.584 22.679 -17.126 1   36.046 ? 161 PHE A H    1 c 1 
ATOM   2419 H  HA   . PHE A 1 161 ? -10.99  21.657 -14.544 1   32.024 ? 161 PHE A HA   1 c 1 
ATOM   2420 H  HB2  . PHE A 1 161 ? -11.562 20.471 -17.081 1   33.954 ? 161 PHE A HB2  1 c 1 
ATOM   2421 H  HB3  . PHE A 1 161 ? -11.785 19.708 -15.706 1   32.992 ? 161 PHE A HB3  1 c 1 
ATOM   2422 H  HD1  . PHE A 1 161 ? -13.274 21.415 -14.025 1   31.426 ? 161 PHE A HD1  1 c 1 
ATOM   2423 H  HD2  . PHE A 1 161 ? -13.613 21.104 -18.026 1   34.489 ? 161 PHE A HD2  1 c 1 
ATOM   2424 H  HE1  . PHE A 1 161 ? -15.441 22.275 -13.925 1   31.596 ? 161 PHE A HE1  1 c 1 
ATOM   2425 H  HE2  . PHE A 1 161 ? -15.769 21.962 -17.9   1   34.589 ? 161 PHE A HE2  1 c 1 
ATOM   2426 H  HZ   . PHE A 1 161 ? -16.681 22.545 -15.865 1   33.222 ? 161 PHE A HZ   1 c 1 
ATOM   2427 N  N    . HIS A 1 162 ? -8.987  20.257 -14.277 1   27.713 ? 162 HIS A N    1 ? 1 
ATOM   2428 C  CA   . HIS A 1 162 ? -7.865  19.34  -14.139 1   30.118 ? 162 HIS A CA   1 ? 1 
ATOM   2429 C  C    . HIS A 1 162 ? -8.4    17.984 -13.666 1   29.977 ? 162 HIS A C    1 ? 1 
ATOM   2430 O  O    . HIS A 1 162 ? -9.193  17.929 -12.725 1   27.392 ? 162 HIS A O    1 ? 1 
ATOM   2431 C  CB   . HIS A 1 162 ? -6.827  19.875 -13.138 1   30.867 ? 162 HIS A CB   1 ? 1 
ATOM   2432 C  CG   . HIS A 1 162 ? -6.422  21.297 -13.337 1   30.039 ? 162 HIS A CG   1 ? 1 
ATOM   2433 N  ND1  . HIS A 1 162 ? -5.236  21.616 -13.949 1   33.19  ? 162 HIS A ND1  1 ? 1 
ATOM   2434 C  CD2  . HIS A 1 162 ? -6.946  22.482 -12.952 1   30.34  ? 162 HIS A CD2  1 ? 1 
ATOM   2435 C  CE1  . HIS A 1 162 ? -5.091  22.941 -13.984 1   31.582 ? 162 HIS A CE1  1 ? 1 
ATOM   2436 N  NE2  . HIS A 1 162 ? -6.108  23.488 -13.378 1   29.608 ? 162 HIS A NE2  1 ? 1 
ATOM   2437 H  H    . HIS A 1 162 ? -9.456  20.485 -13.527 1   32.097 ? 162 HIS A H    1 c 1 
ATOM   2438 H  HA   . HIS A 1 162 ? -7.436  19.219 -15.02  1   34.486 ? 162 HIS A HA   1 c 1 
ATOM   2439 H  HB2  . HIS A 1 162 ? -7.189  19.774 -12.231 1   32.848 ? 162 HIS A HB2  1 c 1 
ATOM   2440 H  HB3  . HIS A 1 162 ? -6.027  19.312 -13.196 1   34.335 ? 162 HIS A HB3  1 c 1 
ATOM   2441 H  HD1  . HIS A 1 162 ? -4.663  21.039 -14.277 0   30     ? 162 HIS A HD1  1 c 1 
ATOM   2442 H  HD2  . HIS A 1 162 ? -7.756  22.609 -12.497 1   32.25  ? 162 HIS A HD2  1 c 1 
ATOM   2443 H  HE1  . HIS A 1 162 ? -4.363  23.401 -14.367 1   35.753 ? 162 HIS A HE1  1 c 1 
ATOM   2444 H  HE2  . HIS A 1 162 ? -6.236  24.35  -13.259 0   30     ? 162 HIS A HE2  1 c 1 
ATOM   2445 N  N    . SER A 1 163 ? -7.96   16.899 -14.315 1   31.126 ? 163 SER A N    1 ? 1 
ATOM   2446 C  CA   . SER A 1 163 ? -8.27   15.539 -13.892 1   34.482 ? 163 SER A CA   1 ? 1 
ATOM   2447 C  C    . SER A 1 163 ? -6.98   14.847 -13.505 1   36.283 ? 163 SER A C    1 ? 1 
ATOM   2448 O  O    . SER A 1 163 ? -6.073  14.745 -14.315 1   40.61  ? 163 SER A O    1 ? 1 
ATOM   2449 C  CB   . SER A 1 163 ? -8.927  14.725 -14.983 1   37.885 ? 163 SER A CB   1 ? 1 
ATOM   2450 O  OG   . SER A 1 163 ? -10.038 15.433 -15.507 1   35.861 ? 163 SER A OG   1 ? 1 
ATOM   2451 H  H    . SER A 1 163 ? -7.441  17.012 -15.059 1   35.561 ? 163 SER A H    1 c 1 
ATOM   2452 H  HA   . SER A 1 163 ? -8.87   15.571 -13.104 1   34.263 ? 163 SER A HA   1 c 1 
ATOM   2453 H  HB2  . SER A 1 163 ? -8.283  14.552 -15.696 1   37.252 ? 163 SER A HB2  1 c 1 
ATOM   2454 H  HB3  . SER A 1 163 ? -9.224  13.87  -14.618 1   36.415 ? 163 SER A HB3  1 c 1 
ATOM   2455 H  HG   . SER A 1 163 ? -10.392 14.958 -16.114 0   30     ? 163 SER A HG   1 c 1 
ATOM   2456 N  N    . TYR A 1 164 ? -6.889  14.346 -12.294 1   35.237 ? 164 TYR A N    1 ? 1 
ATOM   2457 C  CA   . TYR A 1 164 ? -5.658  13.676 -11.94  1   38.677 ? 164 TYR A CA   1 ? 1 
ATOM   2458 C  C    . TYR A 1 164 ? -5.961  12.289 -11.398 1   37.681 ? 164 TYR A C    1 ? 1 
ATOM   2459 O  O    . TYR A 1 164 ? -7.045  12.042 -10.86  1   34.353 ? 164 TYR A O    1 ? 1 
ATOM   2460 C  CB   . TYR A 1 164 ? -4.885  14.438 -10.868 1   40.872 ? 164 TYR A CB   1 ? 1 
ATOM   2461 C  CG   . TYR A 1 164 ? -4.437  15.839 -11.218 1   46.596 ? 164 TYR A CG   1 ? 1 
ATOM   2462 C  CD1  . TYR A 1 164 ? -3.214  16.112 -11.825 1   52.548 ? 164 TYR A CD1  1 ? 1 
ATOM   2463 C  CD2  . TYR A 1 164 ? -5.246  16.908 -10.859 1   47.973 ? 164 TYR A CD2  1 ? 1 
ATOM   2464 C  CE1  . TYR A 1 164 ? -2.833  17.429 -12.08  1   57.76  ? 164 TYR A CE1  1 ? 1 
ATOM   2465 C  CE2  . TYR A 1 164 ? -4.868  18.22  -11.086 1   51.955 ? 164 TYR A CE2  1 ? 1 
ATOM   2466 C  CZ   . TYR A 1 164 ? -3.669  18.486 -11.716 1   55.003 ? 164 TYR A CZ   1 ? 1 
ATOM   2467 O  OH   . TYR A 1 164 ? -3.442  19.828 -11.904 1   56.582 ? 164 TYR A OH   1 ? 1 
ATOM   2468 H  H    . TYR A 1 164 ? -7.571  14.413 -11.689 1   35.131 ? 164 TYR A H    1 c 1 
ATOM   2469 H  HA   . TYR A 1 164 ? -5.088  13.589 -12.746 1   38.502 ? 164 TYR A HA   1 c 1 
ATOM   2470 H  HB2  . TYR A 1 164 ? -5.446  14.484 -10.062 1   36.096 ? 164 TYR A HB2  1 c 1 
ATOM   2471 H  HB3  . TYR A 1 164 ? -4.09   13.91  -10.633 1   38.148 ? 164 TYR A HB3  1 c 1 
ATOM   2472 H  HD1  . TYR A 1 164 ? -2.642  15.402 -12.072 1   39.283 ? 164 TYR A HD1  1 c 1 
ATOM   2473 H  HD2  . TYR A 1 164 ? -6.065  16.737 -10.421 1   34.193 ? 164 TYR A HD2  1 c 1 
ATOM   2474 H  HE1  . TYR A 1 164 ? -2.012  17.607 -12.506 1   38.843 ? 164 TYR A HE1  1 c 1 
ATOM   2475 H  HE2  . TYR A 1 164 ? -5.443  18.927 -10.849 1   33.892 ? 164 TYR A HE2  1 c 1 
ATOM   2476 H  HH   . TYR A 1 164 ? -3.758  20.066 -12.704 0   30     ? 164 TYR A HH   1 c 1 
ATOM   2477 N  N    . ARG A 1 165 ? -4.949  11.42  -11.495 1   38.51  ? 165 ARG A N    1 ? 1 
ATOM   2478 C  CA   . ARG A 1 165 ? -5.047  10.089 -10.933 1   40.134 ? 165 ARG A CA   1 ? 1 
ATOM   2479 C  C    . ARG A 1 165 ? -3.693  9.635  -10.423 1   41.262 ? 165 ARG A C    1 ? 1 
ATOM   2480 O  O    . ARG A 1 165 ? -2.68   10.169 -10.849 1   39.396 ? 165 ARG A O    1 ? 1 
ATOM   2481 C  CB   . ARG A 1 165 ? -5.398  9.079  -12.019 1   44.996 ? 165 ARG A CB   1 ? 1 
ATOM   2482 C  CG   . ARG A 1 165 ? -6.802  9.344  -12.512 1   48.235 ? 165 ARG A CG   1 ? 1 
ATOM   2483 C  CD   . ARG A 1 165 ? -7.113  8.386  -13.61  1   56.157 ? 165 ARG A CD   1 ? 1 
ATOM   2484 N  NE   . ARG A 1 165 ? -8.525  8.592  -13.942 1   59.032 ? 165 ARG A NE   1 ? 1 
ATOM   2485 C  CZ   . ARG A 1 165 ? -9.503  7.847  -13.47  1   62.36  ? 165 ARG A CZ   1 ? 1 
ATOM   2486 N  NH1  . ARG A 1 165 ? -9.257  6.937  -12.539 1   65.702 ? 165 ARG A NH1  1 ? 1 
ATOM   2487 N  NH2  . ARG A 1 165 ? -10.734 8.035  -13.911 1   66.735 ? 165 ARG A NH2  1 ? 1 
ATOM   2488 H  H    . ARG A 1 165 ? -4.18   11.665 -11.924 1   40.887 ? 165 ARG A H    1 c 1 
ATOM   2489 H  HA   . ARG A 1 165 ? -5.708  10.083 -10.197 1   40.25  ? 165 ARG A HA   1 c 1 
ATOM   2490 H  HB2  . ARG A 1 165 ? -4.767  9.16   -12.766 1   43.849 ? 165 ARG A HB2  1 c 1 
ATOM   2491 H  HB3  . ARG A 1 165 ? -5.343  8.168  -11.661 1   43.904 ? 165 ARG A HB3  1 c 1 
ATOM   2492 H  HG2  . ARG A 1 165 ? -7.442  9.222  -11.777 1   40.653 ? 165 ARG A HG2  1 c 1 
ATOM   2493 H  HG3  . ARG A 1 165 ? -6.871  10.261 -12.853 1   40.5   ? 165 ARG A HG3  1 c 1 
ATOM   2494 H  HD2  . ARG A 1 165 ? -6.558  8.571  -14.395 1   44.156 ? 165 ARG A HD2  1 c 1 
ATOM   2495 H  HD3  . ARG A 1 165 ? -6.963  7.462  -13.326 1   44.562 ? 165 ARG A HD3  1 c 1 
ATOM   2496 H  HE   . ARG A 1 165 ? -8.727  9.245  -14.482 1   41.646 ? 165 ARG A HE   1 c 1 
ATOM   2497 H  HH11 . ARG A 1 165 ? -8.683  7.116  -11.878 1   42.729 ? 165 ARG A HH11 1 c 1 
ATOM   2498 H  HH12 . ARG A 1 165 ? -9.681  6.152  -12.579 1   44.055 ? 165 ARG A HH12 1 c 1 
ATOM   2499 H  HH21 . ARG A 1 165 ? -10.897 8.648  -14.526 1   41.313 ? 165 ARG A HH21 1 c 1 
ATOM   2500 H  HH22 . ARG A 1 165 ? -11.393 7.543  -13.587 1   41.883 ? 165 ARG A HH22 1 c 1 
ATOM   2501 N  N    . ARG A 1 166 ? -3.711  8.612  -9.563  1   43.595 ? 166 ARG A N    1 ? 1 
ATOM   2502 C  CA   . ARG A 1 166 ? -2.528  7.814  -9.279  1   49.021 ? 166 ARG A CA   1 ? 1 
ATOM   2503 C  C    . ARG A 1 166 ? -2.95   6.366  -9.02   1   50.697 ? 166 ARG A C    1 ? 1 
ATOM   2504 O  O    . ARG A 1 166 ? -4.109  6.117  -8.697  1   48.683 ? 166 ARG A O    1 ? 1 
ATOM   2505 C  CB   . ARG A 1 166 ? -1.82   8.459  -8.081  1   48.023 ? 166 ARG A CB   1 ? 1 
ATOM   2506 C  CG   . ARG A 1 166 ? -2.678  8.598  -6.837  1   46.567 ? 166 ARG A CG   1 ? 1 
ATOM   2507 C  CD   . ARG A 1 166 ? -1.861  9.167  -5.691  1   48.937 ? 166 ARG A CD   1 ? 1 
ATOM   2508 N  NE   . ARG A 1 166 ? -2.598  9.074  -4.425  1   46.622 ? 166 ARG A NE   1 ? 1 
ATOM   2509 C  CZ   . ARG A 1 166 ? -2.212  9.565  -3.242  1   46.542 ? 166 ARG A CZ   1 ? 1 
ATOM   2510 N  NH1  . ARG A 1 166 ? -0.988  10.047 -3.056  1   47.513 ? 166 ARG A NH1  1 ? 1 
ATOM   2511 N  NH2  . ARG A 1 166 ? -3.064  9.562  -2.227  1   45.26  ? 166 ARG A NH2  1 ? 1 
ATOM   2512 H  H    . ARG A 1 166 ? -4.491  8.406  -9.134  1   43.204 ? 166 ARG A H    1 c 1 
ATOM   2513 H  HA   . ARG A 1 166 ? -1.931  7.838  -10.069 1   47.605 ? 166 ARG A HA   1 c 1 
ATOM   2514 H  HB2  . ARG A 1 166 ? -1.028  7.924  -7.859  1   47.912 ? 166 ARG A HB2  1 c 1 
ATOM   2515 H  HB3  . ARG A 1 166 ? -1.511  9.35   -8.347  1   45.415 ? 166 ARG A HB3  1 c 1 
ATOM   2516 H  HG2  . ARG A 1 166 ? -3.434  9.196  -7.023  1   42.757 ? 166 ARG A HG2  1 c 1 
ATOM   2517 H  HG3  . ARG A 1 166 ? -3.03   7.719  -6.578  1   45.142 ? 166 ARG A HG3  1 c 1 
ATOM   2518 H  HD2  . ARG A 1 166 ? -1.019  8.673  -5.612  1   46.457 ? 166 ARG A HD2  1 c 1 
ATOM   2519 H  HD3  . ARG A 1 166 ? -1.647  10.104 -5.874  1   43.795 ? 166 ARG A HD3  1 c 1 
ATOM   2520 H  HE   . ARG A 1 166 ? -3.363  8.657  -4.442  1   43.271 ? 166 ARG A HE   1 c 1 
ATOM   2521 H  HH11 . ARG A 1 166 ? -0.369  9.938  -3.679  1   45.849 ? 166 ARG A HH11 1 c 1 
ATOM   2522 H  HH12 . ARG A 1 166 ? -0.793  10.476 -2.306  1   44.817 ? 166 ARG A HH12 1 c 1 
ATOM   2523 H  HH21 . ARG A 1 166 ? -3.892  9.278  -2.346  1   42.085 ? 166 ARG A HH21 1 c 1 
ATOM   2524 H  HH22 . ARG A 1 166 ? -2.803  9.846  -1.431  1   42.975 ? 166 ARG A HH22 1 c 1 
ATOM   2525 N  N    . ASP A 1 167 ? -2.005  5.423  -9.099  1   55.696 ? 167 ASP A N    1 ? 1 
ATOM   2526 C  CA   . ASP A 1 167 ? -2.286  4.008  -8.858  1   62.368 ? 167 ASP A CA   1 ? 1 
ATOM   2527 C  C    . ASP A 1 167 ? -2.439  3.64   -7.37   1   65.326 ? 167 ASP A C    1 ? 1 
ATOM   2528 O  O    . ASP A 1 167 ? -2.374  4.533  -6.476  1   66.589 ? 167 ASP A O    1 ? 1 
ATOM   2529 C  CB   . ASP A 1 167 ? -1.175  3.129  -9.402  1   68.583 ? 167 ASP A CB   1 ? 1 
ATOM   2530 C  CG   . ASP A 1 167 ? -0.916  3.266  -10.893 1   70.566 ? 167 ASP A CG   1 ? 1 
ATOM   2531 O  OD1  . ASP A 1 167 ? -1.745  3.893  -11.582 1   71.824 ? 167 ASP A OD1  1 ? 1 
ATOM   2532 O  OD2  . ASP A 1 167 ? 0.119   2.757  -11.342 1   72.088 ? 167 ASP A OD2  1 ? 1 
ATOM   2533 H  H    . ASP A 1 167 ? -1.15   5.67   -9.308  1   51.784 ? 167 ASP A H    1 c 1 
ATOM   2534 H  HA   . ASP A 1 167 ? -3.119  3.773  -9.326  1   52.37  ? 167 ASP A HA   1 c 1 
ATOM   2535 H  HB2  . ASP A 1 167 ? -0.345  3.342  -8.928  1   57.033 ? 167 ASP A HB2  1 c 1 
ATOM   2536 H  HB3  . ASP A 1 167 ? -1.395  2.192  -9.218  1   57.796 ? 167 ASP A HB3  1 c 1 
HETATM 2537 P  PA   . NDP B 2 .   ? -14.954 20.941 6.578   1   34.957 ? 201 NDP A PA   1 ? 1 
HETATM 2538 O  O1A  . NDP B 2 .   ? -13.708 20.257 6.14    1   34.45  ? 201 NDP A O1A  1 ? 1 
HETATM 2539 O  O2A  . NDP B 2 .   ? -16.134 20.978 5.672   1   36.273 ? 201 NDP A O2A  1 ? 1 
HETATM 2540 O  O5B  . NDP B 2 .   ? -15.484 20.358 7.972   1   36.074 ? 201 NDP A O5B  1 ? 1 
HETATM 2541 C  C5B  . NDP B 2 .   ? -14.674 20.404 9.15    1   38.288 ? 201 NDP A C5B  1 ? 1 
HETATM 2542 C  C4B  . NDP B 2 .   ? -15.38  19.6   10.197  1   40.276 ? 201 NDP A C4B  1 ? 1 
HETATM 2543 O  O4B  . NDP B 2 .   ? -15.234 18.186 9.909   1   40.266 ? 201 NDP A O4B  1 ? 1 
HETATM 2544 C  C3B  . NDP B 2 .   ? -14.893 19.763 11.64   1   41.418 ? 201 NDP A C3B  1 ? 1 
HETATM 2545 O  O3B  . NDP B 2 .   ? -15.445 20.945 12.203  1   40.252 ? 201 NDP A O3B  1 ? 1 
HETATM 2546 C  C2B  . NDP B 2 .   ? -15.473 18.495 12.249  1   43.138 ? 201 NDP A C2B  1 ? 1 
HETATM 2547 O  O2B  . NDP B 2 .   ? -16.884 18.586 12.478  1   44.377 ? 201 NDP A O2B  1 ? 1 
HETATM 2548 C  C1B  . NDP B 2 .   ? -15.242 17.483 11.131  1   41.259 ? 201 NDP A C1B  1 ? 1 
HETATM 2549 N  N9A  . NDP B 2 .   ? -13.97  16.798 11.242  1   41.277 ? 201 NDP A N9A  1 ? 1 
HETATM 2550 C  C8A  . NDP B 2 .   ? -12.726 17.264 10.89   1   40.843 ? 201 NDP A C8A  1 ? 1 
HETATM 2551 N  N7A  . NDP B 2 .   ? -11.774 16.388 11.087  1   41.37  ? 201 NDP A N7A  1 ? 1 
HETATM 2552 C  C5A  . NDP B 2 .   ? -12.437 15.287 11.609  1   41.355 ? 201 NDP A C5A  1 ? 1 
HETATM 2553 C  C6A  . NDP B 2 .   ? -11.987 14.027 12.022  1   43.264 ? 201 NDP A C6A  1 ? 1 
HETATM 2554 N  N6A  . NDP B 2 .   ? -10.707 13.658 11.979  1   46.715 ? 201 NDP A N6A  1 ? 1 
HETATM 2555 N  N1A  . NDP B 2 .   ? -12.923 13.156 12.468  1   42.729 ? 201 NDP A N1A  1 ? 1 
HETATM 2556 C  C2A  . NDP B 2 .   ? -14.21  13.531 12.489  1   41.471 ? 201 NDP A C2A  1 ? 1 
HETATM 2557 N  N3A  . NDP B 2 .   ? -14.747 14.684 12.121  1   41.168 ? 201 NDP A N3A  1 ? 1 
HETATM 2558 C  C4A  . NDP B 2 .   ? -13.795 15.522 11.689  1   40.139 ? 201 NDP A C4A  1 ? 1 
HETATM 2559 O  O3   . NDP B 2 .   ? -14.56  22.435 6.986   1   36.966 ? 201 NDP A O3   1 ? 1 
HETATM 2560 P  PN   . NDP B 2 .   ? -13.629 23.552 6.333   1   37.369 ? 201 NDP A PN   1 ? 1 
HETATM 2561 O  O1N  . NDP B 2 .   ? -12.25  22.987 6.287   1   38.645 ? 201 NDP A O1N  1 ? 1 
HETATM 2562 O  O2N  . NDP B 2 .   ? -13.878 24.803 7.099   1   39.05  ? 201 NDP A O2N  1 ? 1 
HETATM 2563 O  O5D  . NDP B 2 .   ? -14.185 23.74  4.837   1   36.078 ? 201 NDP A O5D  1 ? 1 
HETATM 2564 C  C5D  . NDP B 2 .   ? -15.497 24.371 4.655   1   36.771 ? 201 NDP A C5D  1 ? 1 
HETATM 2565 C  C4D  . NDP B 2 .   ? -15.375 25.541 3.714   1   34.554 ? 201 NDP A C4D  1 ? 1 
HETATM 2566 O  O4D  . NDP B 2 .   ? -15.028 25.018 2.412   1   33.882 ? 201 NDP A O4D  1 ? 1 
HETATM 2567 C  C3D  . NDP B 2 .   ? -16.632 26.397 3.489   1   37.138 ? 201 NDP A C3D  1 ? 1 
HETATM 2568 O  O3D  . NDP B 2 .   ? -16.286 27.763 3.277   1   39.22  ? 201 NDP A O3D  1 ? 1 
HETATM 2569 C  C2D  . NDP B 2 .   ? -17.221 25.805 2.208   1   35.494 ? 201 NDP A C2D  1 ? 1 
HETATM 2570 O  O2D  . NDP B 2 .   ? -18.081 26.724 1.542   1   38.7   ? 201 NDP A O2D  1 ? 1 
HETATM 2571 C  C1D  . NDP B 2 .   ? -15.942 25.492 1.434   1   34.91  ? 201 NDP A C1D  1 ? 1 
HETATM 2572 N  N1N  . NDP B 2 .   ? -16.095 24.449 0.356   1   34.391 ? 201 NDP A N1N  1 ? 1 
HETATM 2573 C  C2N  . NDP B 2 .   ? -15.7   24.747 -0.924  1   31.949 ? 201 NDP A C2N  1 ? 1 
HETATM 2574 C  C3N  . NDP B 2 .   ? -15.682 23.819 -1.924  1   30.271 ? 201 NDP A C3N  1 ? 1 
HETATM 2575 C  C7N  . NDP B 2 .   ? -15.078 24.146 -3.236  1   30.705 ? 201 NDP A C7N  1 ? 1 
HETATM 2576 O  O7N  . NDP B 2 .   ? -14.895 23.204 -4.008  1   29.113 ? 201 NDP A O7N  1 ? 1 
HETATM 2577 N  N7N  . NDP B 2 .   ? -14.792 25.395 -3.599  1   29.988 ? 201 NDP A N7N  1 ? 1 
HETATM 2578 C  C4N  . NDP B 2 .   ? -16.281 22.478 -1.682  1   30.328 ? 201 NDP A C4N  1 ? 1 
HETATM 2579 C  C5N  . NDP B 2 .   ? -16.808 22.286 -0.306  1   31.649 ? 201 NDP A C5N  1 ? 1 
HETATM 2580 C  C6N  . NDP B 2 .   ? -16.673 23.216 0.625   1   33.891 ? 201 NDP A C6N  1 ? 1 
HETATM 2581 P  P2B  . NDP B 2 .   ? -17.304 18.659 14.026  1   47.474 ? 201 NDP A P2B  1 ? 1 
HETATM 2582 O  O1X  . NDP B 2 .   ? -16.764 19.996 14.469  1   47     ? 201 NDP A O1X  1 ? 1 
HETATM 2583 O  O2X  . NDP B 2 .   ? -18.824 18.623 14.002  1   48.195 ? 201 NDP A O2X  1 ? 1 
HETATM 2584 O  O3X  . NDP B 2 .   ? -16.689 17.49  14.747  1   45.965 ? 201 NDP A O3X  1 ? 1 
HETATM 2585 H  H51A . NDP B 2 .   ? -14.565 21.339 9.456   1   40.873 ? 201 NDP A H51A 1 c 1 
HETATM 2586 H  H52A . NDP B 2 .   ? -13.783 20.019 8.97    1   39.796 ? 201 NDP A H52A 1 c 1 
HETATM 2587 H  H4B  . NDP B 2 .   ? -16.333 19.83  10.161  1   41.752 ? 201 NDP A H4B  1 c 1 
HETATM 2588 H  H3B  . NDP B 2 .   ? -13.903 19.768 11.698  1   43.659 ? 201 NDP A H3B  1 c 1 
HETATM 2589 H  HO3A . NDP B 2 .   ? -15.157 21.022 13      0   30     ? 201 NDP A HO3A 1 c 1 
HETATM 2590 H  H2B  . NDP B 2 .   ? -14.991 18.243 13.07   1   45.649 ? 201 NDP A H2B  1 c 1 
HETATM 2591 H  H1B  . NDP B 2 .   ? -15.971 16.825 11.132  1   42.757 ? 201 NDP A H1B  1 c 1 
HETATM 2592 H  H8A  . NDP B 2 .   ? -12.576 18.125 10.544  1   41.809 ? 201 NDP A H8A  1 c 1 
HETATM 2593 H  H61A . NDP B 2 .   ? -10.476 12.856 12.25   1   46.064 ? 201 NDP A H61A 1 c 1 
HETATM 2594 H  H62A . NDP B 2 .   ? -10.102 14.219 11.682  1   44.821 ? 201 NDP A H62A 1 c 1 
HETATM 2595 H  H2A  . NDP B 2 .   ? -14.817 12.885 12.816  1   46.022 ? 201 NDP A H2A  1 c 1 
HETATM 2596 H  H51N . NDP B 2 .   ? -15.847 24.682 5.526   1   37.867 ? 201 NDP A H51N 1 c 1 
HETATM 2597 H  H52N . NDP B 2 .   ? -16.134 23.713 4.282   1   36.087 ? 201 NDP A H52N 1 c 1 
HETATM 2598 H  H4D  . NDP B 2 .   ? -14.643 26.114 4.027   1   36.965 ? 201 NDP A H4D  1 c 1 
HETATM 2599 H  H3D  . NDP B 2 .   ? -17.27  26.308 4.244   1   38.179 ? 201 NDP A H3D  1 c 1 
HETATM 2600 H  HO3N . NDP B 2 .   ? -17     28.21  3.157   0   30     ? 201 NDP A HO3N 1 c 1 
HETATM 2601 H  H2D  . NDP B 2 .   ? -17.712 24.975 2.418   1   35.72  ? 201 NDP A H2D  1 c 1 
HETATM 2602 H  HO2N . NDP B 2 .   ? -18.388 26.366 0.841   0   30     ? 201 NDP A HO2N 1 c 1 
HETATM 2603 H  H1D  . NDP B 2 .   ? -15.586 26.321 1.034   1   34.677 ? 201 NDP A H1D  1 c 1 
HETATM 2604 H  H2N  . NDP B 2 .   ? -15.439 25.627 -1.119  1   32.744 ? 201 NDP A H2N  1 c 1 
HETATM 2605 H  H71N . NDP B 2 .   ? -14.455 25.556 -4.404  1   31.076 ? 201 NDP A H71N 1 c 1 
HETATM 2606 H  H72N . NDP B 2 .   ? -14.941 26.073 -3.05   1   31.942 ? 201 NDP A H72N 1 c 1 
HETATM 2607 H  H41N . NDP B 2 .   ? -15.606 21.79  -1.859  1   30.834 ? 201 NDP A H41N 1 c 1 
HETATM 2608 H  H42N . NDP B 2 .   ? -17.003 22.334 -2.327  1   31.2   ? 201 NDP A H42N 1 c 1 
HETATM 2609 H  H5N  . NDP B 2 .   ? -17.261 21.471 -0.091  1   32.19  ? 201 NDP A H5N  1 c 1 
HETATM 2610 H  H6N  . NDP B 2 .   ? -16.975 23.043 1.496   1   33.647 ? 201 NDP A H6N  1 c 1 
HETATM 2611 C  C1   . TOP C 3 .   ? -18.559 22.244 -5.735  1   29.419 ? 202 TOP A C1   1 ? 1 
HETATM 2612 N  N2   . TOP C 3 .   ? -17.784 22.364 -6.828  1   29.408 ? 202 TOP A N2   1 ? 1 
HETATM 2613 C  C3   . TOP C 3 .   ? -16.774 21.469 -6.983  1   28.469 ? 202 TOP A C3   1 ? 1 
HETATM 2614 N  N4   . TOP C 3 .   ? -16.04  21.541 -8.097  1   27.664 ? 202 TOP A N4   1 ? 1 
HETATM 2615 N  N5   . TOP C 3 .   ? -16.448 20.522 -6.081  1   27.015 ? 202 TOP A N5   1 ? 1 
HETATM 2616 C  C6   . TOP C 3 .   ? -17.213 20.453 -4.97   1   27.879 ? 202 TOP A C6   1 ? 1 
HETATM 2617 N  N7   . TOP C 3 .   ? -16.854 19.539 -4.071  1   29.224 ? 202 TOP A N7   1 ? 1 
HETATM 2618 C  C8   . TOP C 3 .   ? -18.326 21.304 -4.746  1   28.899 ? 202 TOP A C8   1 ? 1 
HETATM 2619 C  C9   . TOP C 3 .   ? -19.206 21.161 -3.509  1   31.266 ? 202 TOP A C9   1 ? 1 
HETATM 2620 C  C10  . TOP C 3 .   ? -20.349 22.147 -3.339  1   33.071 ? 202 TOP A C10  1 ? 1 
HETATM 2621 C  C11  . TOP C 3 .   ? -21.503 22.061 -4.122  1   32.702 ? 202 TOP A C11  1 ? 1 
HETATM 2622 C  C12  . TOP C 3 .   ? -22.526 22.986 -3.949  1   34.603 ? 202 TOP A C12  1 ? 1 
HETATM 2623 O  O13  . TOP C 3 .   ? -23.68  23.066 -4.668  1   34.41  ? 202 TOP A O13  1 ? 1 
HETATM 2624 C  C14  . TOP C 3 .   ? -23.946 22.049 -5.62   1   35.438 ? 202 TOP A C14  1 ? 1 
HETATM 2625 C  C15  . TOP C 3 .   ? -22.368 24.068 -3.091  1   37.875 ? 202 TOP A C15  1 ? 1 
HETATM 2626 O  O16  . TOP C 3 .   ? -23.436 24.923 -2.974  1   41.278 ? 202 TOP A O16  1 ? 1 
HETATM 2627 C  C17  . TOP C 3 .   ? -23.139 26.28  -3.246  1   45.502 ? 202 TOP A C17  1 ? 1 
HETATM 2628 C  C18  . TOP C 3 .   ? -21.242 24.127 -2.264  1   37.123 ? 202 TOP A C18  1 ? 1 
HETATM 2629 O  O19  . TOP C 3 .   ? -21.204 25.17  -1.379  1   40.324 ? 202 TOP A O19  1 ? 1 
HETATM 2630 C  C20  . TOP C 3 .   ? -20.21  25.153 -0.369  1   38.95  ? 202 TOP A C20  1 ? 1 
HETATM 2631 C  C21  . TOP C 3 .   ? -20.237 23.18  -2.408  1   34.371 ? 202 TOP A C21  1 ? 1 
HETATM 2632 H  H1   . TOP C 3 .   ? -19.291 22.824 -5.642  1   31.591 ? 202 TOP A H1   1 c 1 
HETATM 2633 H  HN41 . TOP C 3 .   ? -15.38  20.977 -8.222  1   29.619 ? 202 TOP A HN41 1 c 1 
HETATM 2634 H  HN42 . TOP C 3 .   ? -16.22  22.149 -8.699  1   29.984 ? 202 TOP A HN42 1 c 1 
HETATM 2635 H  HN71 . TOP C 3 .   ? -16.151 19.038 -4.215  1   30.033 ? 202 TOP A HN71 1 c 1 
HETATM 2636 H  HN72 . TOP C 3 .   ? -17.319 19.44  -3.336  1   30.591 ? 202 TOP A HN72 1 c 1 
HETATM 2637 H  H91  . TOP C 3 .   ? -18.625 21.223 -2.72   1   31.54  ? 202 TOP A H91  1 c 1 
HETATM 2638 H  H92  . TOP C 3 .   ? -19.584 20.254 -3.521  1   31.714 ? 202 TOP A H92  1 c 1 
HETATM 2639 H  H11  . TOP C 3 .   ? -21.59  21.372 -4.762  1   33.08  ? 202 TOP A H11  1 c 1 
HETATM 2640 H  H141 . TOP C 3 .   ? -23.251 22.05  -6.298  1   34.613 ? 202 TOP A H141 1 c 1 
HETATM 2641 H  H142 . TOP C 3 .   ? -24.806 22.217 -6.038  1   36.427 ? 202 TOP A H142 1 c 1 
HETATM 2642 H  H143 . TOP C 3 .   ? -23.965 21.186 -5.175  1   35.297 ? 202 TOP A H143 1 c 1 
HETATM 2643 H  H171 . TOP C 3 .   ? -22.516 26.619 -2.584  1   37.203 ? 202 TOP A H171 1 c 1 
HETATM 2644 H  H172 . TOP C 3 .   ? -23.959 26.8   -3.212  1   38.652 ? 202 TOP A H172 1 c 1 
HETATM 2645 H  H173 . TOP C 3 .   ? -22.745 26.354 -4.131  1   36.633 ? 202 TOP A H173 1 c 1 
HETATM 2646 H  H201 . TOP C 3 .   ? -20.294 24.34  0.156   1   35.243 ? 202 TOP A H201 1 c 1 
HETATM 2647 H  H202 . TOP C 3 .   ? -20.326 25.924 0.208   1   36.318 ? 202 TOP A H202 1 c 1 
HETATM 2648 H  H203 . TOP C 3 .   ? -19.33  25.187 -0.777  1   34.478 ? 202 TOP A H203 1 c 1 
HETATM 2649 H  H21  . TOP C 3 .   ? -19.451 23.252 -1.889  1   32.979 ? 202 TOP A H21  1 c 1 
HETATM 2650 CL CL   . CL  D 4 .   ? -4.18   22.881 -9.446  1   65.871 ? 203 CL  A CL   1 ? ? 
HETATM 2651 O  O    . HOH E 5 .   ? -33.099 14.565 11.217  1   52.449 ? 301 HOH A O    1 ? ? 
HETATM 2652 O  O    . HOH E 5 .   ? -30.215 18.137 9.189   1   56.273 ? 302 HOH A O    1 ? ? 
HETATM 2653 O  O    . HOH E 5 .   ? -2.884  27.83  -12.395 1   47.025 ? 303 HOH A O    1 ? ? 
HETATM 2654 O  O    . HOH E 5 .   ? -17.484 2.082  -1.655  1   44.759 ? 304 HOH A O    1 ? ? 
HETATM 2655 O  O    . HOH E 5 .   ? -3.378  14.005 4.373   1   38.562 ? 305 HOH A O    1 ? ? 
HETATM 2656 O  O    . HOH E 5 .   ? -6.38   33.18  -7.598  1   39.942 ? 306 HOH A O    1 ? ? 
HETATM 2657 O  O    . HOH E 5 .   ? -14.343 18.24  15.913  1   45.221 ? 307 HOH A O    1 ? ? 
HETATM 2658 O  O    . HOH E 5 .   ? -8.762  5.382  -3.878  1   45.329 ? 308 HOH A O    1 ? ? 
HETATM 2659 O  O    . HOH E 5 .   ? -0.047  5.595  -6.092  1   57.338 ? 309 HOH A O    1 ? ? 
HETATM 2660 O  O    . HOH E 5 .   ? -24.153 20.986 -8.697  1   41.393 ? 310 HOH A O    1 ? ? 
HETATM 2661 O  O    . HOH E 5 .   ? -7.668  17.335 8.208   1   39.239 ? 311 HOH A O    1 ? ? 
HETATM 2662 O  O    . HOH E 5 .   ? -10.12  24.391 6.979   1   42.251 ? 312 HOH A O    1 ? ? 
HETATM 2663 O  O    . HOH E 5 .   ? -13.111 32.872 6.189   1   51.074 ? 313 HOH A O    1 ? ? 
HETATM 2664 O  O    . HOH E 5 .   ? -18.04  26.882 -7.931  1   33.629 ? 314 HOH A O    1 ? ? 
HETATM 2665 O  O    . HOH E 5 .   ? -4.203  22.412 -5.103  1   28.886 ? 315 HOH A O    1 ? ? 
HETATM 2666 O  O    . HOH E 5 .   ? -5.248  25.392 -19.863 1   39.606 ? 316 HOH A O    1 ? ? 
HETATM 2667 O  O    . HOH E 5 .   ? -28.233 10.986 1.396   1   42.664 ? 317 HOH A O    1 ? ? 
HETATM 2668 O  O    . HOH E 5 .   ? -7.399  6.275  -10.701 1   51.667 ? 318 HOH A O    1 ? ? 
HETATM 2669 O  O    . HOH E 5 .   ? -11.804 10.999 13.672  1   54.115 ? 319 HOH A O    1 ? ? 
HETATM 2670 O  O    . HOH E 5 .   ? -11.168 35.2   -15.298 1   34.471 ? 320 HOH A O    1 ? ? 
HETATM 2671 O  O    . HOH E 5 .   ? -11.534 20.276 13.401  1   47.498 ? 321 HOH A O    1 ? ? 
HETATM 2672 O  O    . HOH E 5 .   ? -24.838 19.025 -6.999  1   39.41  ? 322 HOH A O    1 ? ? 
HETATM 2673 O  O    . HOH E 5 .   ? -3.776  25.382 -1.701  1   41.07  ? 323 HOH A O    1 ? ? 
HETATM 2674 O  O    . HOH E 5 .   ? -14.092 19.991 -10.262 1   31.757 ? 324 HOH A O    1 ? ? 
HETATM 2675 O  O    . HOH E 5 .   ? -14.454 8.253  -7.155  1   44.898 ? 325 HOH A O    1 ? ? 
HETATM 2676 O  O    . HOH E 5 .   ? -12.651 18.172 -13.4   1   44.167 ? 326 HOH A O    1 ? ? 
HETATM 2677 O  O    . HOH E 5 .   ? -29.778 12.703 -1.308  1   45.517 ? 327 HOH A O    1 ? ? 
HETATM 2678 O  O    . HOH E 5 .   ? -7.395  21.121 2.155   1   40.473 ? 328 HOH A O    1 ? ? 
HETATM 2679 O  O    . HOH E 5 .   ? -0.04   15.627 -2.274  1   37.504 ? 329 HOH A O    1 ? ? 
HETATM 2680 O  O    . HOH E 5 .   ? -10.981 22.967 -19.076 1   29.451 ? 330 HOH A O    1 ? ? 
HETATM 2681 O  O    . HOH E 5 .   ? -21.262 29.145 -1.182  1   46.91  ? 331 HOH A O    1 ? ? 
HETATM 2682 O  O    . HOH E 5 .   ? -20.117 28.556 -8.411  1   43.462 ? 332 HOH A O    1 ? ? 
HETATM 2683 O  O    . HOH E 5 .   ? -13.874 7.772  -9.799  1   47.798 ? 333 HOH A O    1 ? ? 
HETATM 2684 O  O    . HOH E 5 .   ? -9.024  38.533 -1.765  1   45.919 ? 334 HOH A O    1 ? ? 
HETATM 2685 O  O    . HOH E 5 .   ? -21.926 10.28  -12.732 1   52.315 ? 335 HOH A O    1 ? ? 
HETATM 2686 O  O    . HOH E 5 .   ? -18.192 26.905 -21.387 1   48.548 ? 336 HOH A O    1 ? ? 
HETATM 2687 O  O    . HOH E 5 .   ? -0.820  12.872 -2.343  1   43.691 ? 337 HOH A O    1 ? ? 
HETATM 2688 O  O    . HOH E 5 .   ? -1.346  10.911 -0.262  1   46.384 ? 338 HOH A O    1 ? ? 
HETATM 2689 O  O    . HOH E 5 .   ? -7.696  25.393 4.942   1   35.36  ? 339 HOH A O    1 ? ? 
HETATM 2690 O  O    . HOH E 5 .   ? -14.902 29.652 -23.878 1   36.246 ? 340 HOH A O    1 ? ? 
HETATM 2691 O  O    . HOH E 5 .   ? -21.094 11.927 -16.017 1   39.65  ? 341 HOH A O    1 ? ? 
HETATM 2692 O  O    . HOH E 5 .   ? -0.986  26.334 -17.75  1   59.574 ? 342 HOH A O    1 ? ? 
HETATM 2693 O  O    . HOH E 5 .   ? -2.08   21.457 -6.155  1   40.167 ? 343 HOH A O    1 ? ? 
HETATM 2694 O  O    . HOH E 5 .   ? -1.522  24.917 -0.907  1   50.754 ? 344 HOH A O    1 ? ? 
HETATM 2695 O  O    . HOH E 5 .   ? -22.691 24.268 -17.679 1   34.164 ? 345 HOH A O    1 ? ? 
HETATM 2696 O  O    . HOH E 5 .   ? -6.105  23.233 4.865   1   43.922 ? 346 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    . ALA A 4   ? 0.817399 0.463998 0.934437 -0.0817159  -0.0661016  0.0736503   4   ALA A N    
2    C CA   . ALA A 4   ? 0.812482 0.499766 0.836843 -0.0956899  -0.0508347  0.0639333   4   ALA A CA   
3    C C    . ALA A 4   ? 0.744125 0.438958 0.762407 -0.0407933  -0.0754073  0.0320127   4   ALA A C    
4    O O    . ALA A 4   ? 0.750419 0.344091 0.686924 -0.0337274  -0.0814662  0.0326313   4   ALA A O    
5    C CB   . ALA A 4   ? 0.828769 0.597531 0.808963 -0.146961   -0.0562516  0.0498077   4   ALA A CB   
6    H H    . ALA A 4   ? 0.895781 0.372165 0.689079 0.0112487   0.0263997   0.0415706   4   ALA A H    
7    H HA   . ALA A 4   ? 0.816609 0.366659 0.627185 -0.00907095 0.024373    0.0222336   4   ALA A HA   
8    H HB1  . ALA A 4   ? 0.814627 0.380526 0.631923 -0.0272295  0.0105119   0.0509072   4   ALA A HB1  
9    H HB2  . ALA A 4   ? 0.776736 0.384987 0.625035 4.638e-05   0.0120428   0.0581902   4   ALA A HB2  
10   H HB3  . ALA A 4   ? 0.747417 0.379046 0.593823 -0.0222759  0.0111778   0.043192    4   ALA A HB3  
11   N N    . GLU A 5   ? 0.738188 0.428778 0.700507 -0.0318968  -0.0427705  -0.00069225 5   GLU A N    
12   C CA   . GLU A 5   ? 0.661354 0.411046 0.658519 0.0354325   -0.0223077  0.0035679   5   GLU A CA   
13   C C    . GLU A 5   ? 0.597881 0.445979 0.586348 0.0378815   -0.031422   -0.00535043 5   GLU A C    
14   O O    . GLU A 5   ? 0.630884 0.419706 0.585824 0.0859058   -0.0134481  -0.0474856  5   GLU A O    
15   C CB   . GLU A 5   ? 0.725489 0.458187 0.666716 0.0422171   -0.0667556  -0.0366939  5   GLU A CB   
16   C CG   . GLU A 5   ? 0.775494 0.496151 0.683369 0.096882    -0.0401069  -0.0130333  5   GLU A CG   
17   C CD   . GLU A 5   ? 0.814634 0.557352 0.722758 0.168108    -0.0324666  -0.0394112  5   GLU A CD   
18   O OE1  . GLU A 5   ? 0.893284 0.604459 0.730293 0.175       -0.091593   -0.0333114  5   GLU A OE1  
19   O OE2  . GLU A 5   ? 0.87813  0.539097 0.852196 0.2501      0.00257082  -0.0661296  5   GLU A OE2  
20   H H    . GLU A 5   ? 0.744345 0.363357 0.583607 -0.00265233 0.0280111   0.00828593  5   GLU A H    
21   H HA   . GLU A 5   ? 0.694606 0.371824 0.58504  0.0465196   0.0403281   0.0123389   5   GLU A HA   
22   H HB2  . GLU A 5   ? 0.745384 0.364627 0.589735 0.0353602   0.0511885   -0.0128392  5   GLU A HB2  
23   H HB3  . GLU A 5   ? 0.722301 0.360284 0.562059 0.00393759  0.037554    -0.012681   5   GLU A HB3  
24   H HG2  . GLU A 5   ? 0.872177 0.587511 0.749462 0.0107961   0.0383654   -0.0164554  5   GLU A HG2  
25   H HG3  . GLU A 5   ? 0.869947 0.593329 0.768062 0.0384255   0.0462334   -0.0090507  5   GLU A HG3  
26   N N    . VAL A 6   ? 0.490561 0.41687  0.563622 0.0321675   -0.00175383 0.0223616   6   VAL A N    
27   C CA   . VAL A 6   ? 0.471879 0.408842 0.505399 0.00748243  -0.00239868 0.036823    6   VAL A CA   
28   C C    . VAL A 6   ? 0.441962 0.373155 0.458559 0.0193932   -0.0117225  0.0351668   6   VAL A C    
29   O O    . VAL A 6   ? 0.430037 0.38091  0.456694 0.0308351   -0.0169634  0.0348013   6   VAL A O    
30   C CB   . VAL A 6   ? 0.479321 0.438894 0.490775 0.0130659   0.0101046   0.0692222   6   VAL A CB   
31   C CG1  . VAL A 6   ? 0.480777 0.499486 0.465299 -0.00222991 0.0181455   0.0485669   6   VAL A CG1  
32   C CG2  . VAL A 6   ? 0.541097 0.482351 0.522711 0.0182661   -0.00364051 0.0878209   6   VAL A CG2  
33   H H    . VAL A 6   ? 0.628019 0.380814 0.557025 0.0420583   0.0261637   0.0291581   6   VAL A H    
34   H HA   . VAL A 6   ? 0.57205  0.376645 0.503913 0.00231007  0.0136186   0.0245897   6   VAL A HA   
35   H HB   . VAL A 6   ? 0.565326 0.397379 0.529899 0.0389489   0.0124433   0.0433114   6   VAL A HB   
36   H HG11 . VAL A 6   ? 0.526623 0.394454 0.482849 1.608e-05   0.00449815  0.0365324   6   VAL A HG11 
37   H HG12 . VAL A 6   ? 0.508278 0.395349 0.483984 0.0175517   0.00640026  0.0341975   6   VAL A HG12 
38   H HG13 . VAL A 6   ? 0.530276 0.408698 0.496577 0.0145507   0.00035191  0.0488816   6   VAL A HG13 
39   H HG21 . VAL A 6   ? 0.601291 0.408546 0.542116 0.0219178   0.00221265  0.0625379   6   VAL A HG21 
40   H HG22 . VAL A 6   ? 0.63132  0.394688 0.559346 0.028595    0.011087    0.0526599   6   VAL A HG22 
41   H HG23 . VAL A 6   ? 0.607115 0.394538 0.531035 0.00338656  0.00577456  0.0501241   6   VAL A HG23 
42   N N    . GLY A 7   ? 0.390948 0.354332 0.405151 -0.00562247 -0.0439932  0.0165914   7   GLY A N    
43   C CA   . GLY A 7   ? 0.356756 0.331559 0.396524 0.0019531   -0.0139982  0.0140512   7   GLY A CA   
44   C C    . GLY A 7   ? 0.359382 0.346957 0.381622 -0.00394643 -0.00279894 0.023855    7   GLY A C    
45   O O    . GLY A 7   ? 0.390852 0.336215 0.421894 -0.023832   0.0291391   0.0107584   7   GLY A O    
46   H H    . GLY A 7   ? 0.52071  0.370657 0.46941  -0.00502829 0.0138046   0.0106019   7   GLY A H    
47   H HA2  . GLY A 7   ? 0.491934 0.369286 0.465283 0.0200203   0.0236301   0.00148654  7   GLY A HA2  
48   H HA3  . GLY A 7   ? 0.492792 0.363436 0.452025 0.00053206  0.0192099   -0.00378141 7   GLY A HA3  
49   N N    . LEU A 8   ? 0.330709 0.331905 0.388593 -0.00329618 0.0173679   0.0123567   8   LEU A N    
50   C CA   . LEU A 8   ? 0.350266 0.349657 0.37525  0.00257562  0.0141752   0.00567624  8   LEU A CA   
51   C C    . LEU A 8   ? 0.330861 0.340872 0.392527 -0.0146971  0.00366969  -0.0062946  8   LEU A C    
52   O O    . LEU A 8   ? 0.280084 0.339003 0.384172 -0.0332954  -0.00343245 0.0184987   8   LEU A O    
53   C CB   . LEU A 8   ? 0.340496 0.380128 0.413927 0.0153592   0.0155321   -0.00031834 8   LEU A CB   
54   C CG   . LEU A 8   ? 0.420027 0.453955 0.448977 -0.0231636  -0.0143932  0.0585483   8   LEU A CG   
55   C CD1  . LEU A 8   ? 0.469724 0.432591 0.447213 -0.0139051  -0.043173   0.0506385   8   LEU A CD1  
56   C CD2  . LEU A 8   ? 0.462554 0.5241   0.433161 -0.0471853  -0.0260147  0.0735114   8   LEU A CD2  
57   H H    . LEU A 8   ? 0.44013  0.372219 0.442038 0.0179978   0.0191298   -0.0001946  8   LEU A H    
58   H HA   . LEU A 8   ? 0.410096 0.377047 0.418901 4.92e-06    0.00801433  0.00106797  8   LEU A HA   
59   H HB2  . LEU A 8   ? 0.396685 0.38455  0.430476 0.017365    0.0112998   0.00209358  8   LEU A HB2  
60   H HB3  . LEU A 8   ? 0.39025  0.387238 0.420243 0.00815475  0.00500446  0.00202588  8   LEU A HB3  
61   H HG   . LEU A 8   ? 0.424046 0.398504 0.455556 0.0296378   0.0098763   0.0160334   8   LEU A HG   
62   H HD11 . LEU A 8   ? 0.394745 0.414751 0.450287 0.0253273   0.00228646  0.0162294   8   LEU A HD11 
63   H HD12 . LEU A 8   ? 0.410409 0.426544 0.459796 0.0275868   -0.00371002 0.0265137   8   LEU A HD12 
64   H HD13 . LEU A 8   ? 0.39519  0.415141 0.437189 0.0144182   -0.00412512 0.0151361   8   LEU A HD13 
65   H HD21 . LEU A 8   ? 0.437964 0.394626 0.445241 0.0135241   0.00451133  0.0186814   8   LEU A HD21 
66   H HD22 . LEU A 8   ? 0.41972  0.405477 0.434474 0.00844164  -0.00124271 0.0183243   8   LEU A HD22 
67   H HD23 . LEU A 8   ? 0.437313 0.412756 0.456895 0.02193     -0.00116191 0.02841     8   LEU A HD23 
68   N N    . VAL A 9   ? 0.333229 0.292805 0.409214 -0.0307047  0.0142512   -0.0129664  9   VAL A N    
69   C CA   . VAL A 9   ? 0.300712 0.294997 0.396573 -0.0404231  0.0348173   -0.0215207  9   VAL A CA   
70   C C    . VAL A 9   ? 0.313292 0.28652  0.411509 -0.046432   0.0233623   -0.0255288  9   VAL A C    
71   O O    . VAL A 9   ? 0.302998 0.261612 0.403154 -0.0916155  0.00157344  -0.0123511  9   VAL A O    
72   C CB   . VAL A 9   ? 0.301606 0.280403 0.396138 -0.0473272  0.0513095   -0.0400441  9   VAL A CB   
73   C CG1  . VAL A 9   ? 0.281643 0.267357 0.388681 -0.0897629  0.0504426   -0.0471031  9   VAL A CG1  
74   C CG2  . VAL A 9   ? 0.285749 0.315422 0.379016 -0.0313144  0.0595638   -0.0515633  9   VAL A CG2  
75   H H    . VAL A 9   ? 0.386156 0.371684 0.40342  -0.00819222 0.00749759  -0.00863825 9   VAL A H    
76   H HA   . VAL A 9   ? 0.379957 0.361785 0.401243 -0.00430591 0.0108485   -0.0147876  9   VAL A HA   
77   H HB   . VAL A 9   ? 0.399523 0.362975 0.402512 -0.0170566  0.00808174  -0.0148559  9   VAL A HB   
78   H HG11 . VAL A 9   ? 0.373909 0.375894 0.39986  -0.0204451  0.00518417  -0.0136315  9   VAL A HG11 
79   H HG12 . VAL A 9   ? 0.390404 0.373981 0.402647 -0.0219758  0.00602596  -0.0103187  9   VAL A HG12 
80   H HG13 . VAL A 9   ? 0.389984 0.376766 0.403763 -0.0290264  0.00306355  -0.0116968  9   VAL A HG13 
81   H HG21 . VAL A 9   ? 0.386694 0.368809 0.399553 -0.0244314  0.00168679  -0.0156306  9   VAL A HG21 
82   H HG22 . VAL A 9   ? 0.383704 0.36176  0.397181 -0.0154162  0.00650094  -0.0173487  9   VAL A HG22 
83   H HG23 . VAL A 9   ? 0.369855 0.365749 0.397564 -0.0162525  0.00356915  -0.0165554  9   VAL A HG23 
84   N N    . TRP A 10  ? 0.30485  0.289708 0.40725  -0.0449239  0.0205955   -0.0219935  10  TRP A N    
85   C CA   . TRP A 10  ? 0.306895 0.302334 0.396667 -0.0459333  0.0137272   0.0044663   10  TRP A CA   
86   C C    . TRP A 10  ? 0.316662 0.299506 0.410361 -0.0427186  0.0129194   0.0133218   10  TRP A C    
87   O O    . TRP A 10  ? 0.287714 0.289208 0.400316 -0.035662   0.0191512   0.0602661   10  TRP A O    
88   C CB   . TRP A 10  ? 0.32365  0.316558 0.40167  -0.0627046  0.0142871   -0.0153272  10  TRP A CB   
89   C CG   . TRP A 10  ? 0.304839 0.337097 0.391773 -0.0516626  0.00960561  -0.0100519  10  TRP A CG   
90   C CD1  . TRP A 10  ? 0.296214 0.338176 0.38013  -0.0618861  0.00531373  -0.0442545  10  TRP A CD1  
91   C CD2  . TRP A 10  ? 0.33835  0.331462 0.388719 -0.0568385  0.0180675   0.00450326  10  TRP A CD2  
92   N NE1  . TRP A 10  ? 0.326272 0.364819 0.370205 -0.073554   0.00909639  -0.0403053  10  TRP A NE1  
93   C CE2  . TRP A 10  ? 0.308114 0.345694 0.349544 -0.0642121  0.004891    -0.0126438  10  TRP A CE2  
94   C CE3  . TRP A 10  ? 0.352352 0.339251 0.438525 -0.0430499  0.00734281  0.0337723   10  TRP A CE3  
95   C CZ2  . TRP A 10  ? 0.311304 0.341015 0.40941  -0.0742957  -0.0157686  0.014842    10  TRP A CZ2  
96   C CZ3  . TRP A 10  ? 0.33456  0.346211 0.394846 -0.0450583  0.0277292   0.0358803   10  TRP A CZ3  
97   C CH2  . TRP A 10  ? 0.344736 0.380189 0.429735 -0.0468205  0.00958313  0.0435155   10  TRP A CH2  
98   H H    . TRP A 10  ? 0.361384 0.36202  0.398618 -0.00456472 0.00817088  -0.0170263  10  TRP A H    
99   H HA   . TRP A 10  ? 0.353344 0.367929 0.399823 -0.00679087 0.00483282  -0.0223756  10  TRP A HA   
100  H HB2  . TRP A 10  ? 0.356239 0.375125 0.403749 -0.00765968 0.00205801  -0.0249997  10  TRP A HB2  
101  H HB3  . TRP A 10  ? 0.356882 0.376564 0.400397 -0.00606352 0.00285252  -0.0196156  10  TRP A HB3  
102  H HD1  . TRP A 10  ? 0.356167 0.37655  0.415591 -0.0118117  -0.00064158 -0.0212955  10  TRP A HD1  
103  H HE1  . TRP A 10  ? 0.353803 0.395931 0.428946 -0.0123428  -0.00016187 -0.0109682  10  TRP A HE1  
104  H HE3  . TRP A 10  ? 0.364136 0.380325 0.409436 0.00252124  0.00517183  -0.0092417  10  TRP A HE3  
105  H HZ2  . TRP A 10  ? 0.354226 0.418311 0.444762 0.00288648  0.00544225  0.00166011  10  TRP A HZ2  
106  H HZ3  . TRP A 10  ? 0.374076 0.395933 0.431116 0.01598     0.00834182  0.00129911  10  TRP A HZ3  
107  H HH2  . TRP A 10  ? 0.365755 0.418679 0.450293 0.0191622   0.00981856  0.00697934  10  TRP A HH2  
108  N N    . ALA A 11  ? 0.290458 0.347631 0.43156  -0.0231991  0.0184547   0.0111205   11  ALA A N    
109  C CA   . ALA A 11  ? 0.309074 0.322661 0.446104 -0.0332556  -0.0119665  -0.0151269  11  ALA A CA   
110  C C    . ALA A 11  ? 0.331874 0.354536 0.423415 -0.0355756  -0.0166421  -0.0258079  11  ALA A C    
111  O O    . ALA A 11  ? 0.376849 0.329095 0.431187 -0.0282723  0.00192947  -0.0406541  11  ALA A O    
112  C CB   . ALA A 11  ? 0.264946 0.398269 0.456112 -0.0343245  0.00940929  -0.0215928  11  ALA A CB   
113  H H    . ALA A 11  ? 0.355578 0.366169 0.409971 -0.00561417 0.00293123  -0.0264849  11  ALA A H    
114  H HA   . ALA A 11  ? 0.358629 0.360709 0.415052 -0.00901504 0.00154508  -0.0186991  11  ALA A HA   
115  H HB1  . ALA A 11  ? 0.360351 0.362631 0.421466 -0.00404541 -0.00112683 -0.0185378  11  ALA A HB1  
116  H HB2  . ALA A 11  ? 0.364976 0.364511 0.429109 -0.00092606 0.00080059  -0.0252962  11  ALA A HB2  
117  H HB3  . ALA A 11  ? 0.369005 0.360672 0.432083 -0.0044115  -0.00209679 -0.0193747  11  ALA A HB3  
118  N N    . GLN A 12  ? 0.333032 0.304969 0.386197 -0.0389395  -0.00403993 -0.0189202  12  GLN A N    
119  C CA   . GLN A 12  ? 0.350646 0.310005 0.387457 -0.0395427  -0.0126826  -0.0386593  12  GLN A CA   
120  C C    . GLN A 12  ? 0.363202 0.299916 0.416334 -0.0488762  -0.0176371  -0.0145461  12  GLN A C    
121  O O    . GLN A 12  ? 0.339755 0.294787 0.451908 -0.0783353  0.0239959   0.0129588   12  GLN A O    
122  C CB   . GLN A 12  ? 0.345554 0.311869 0.401872 -0.03694    -0.0367783  -0.0319786  12  GLN A CB   
123  C CG   . GLN A 12  ? 0.294947 0.350509 0.38997  -0.0186708  -0.0430127  -0.0244146  12  GLN A CG   
124  C CD   . GLN A 12  ? 0.278482 0.393983 0.442128 -0.0148217  -0.0377667  -0.0164195  12  GLN A CD   
125  O OE1  . GLN A 12  ? 0.255867 0.370547 0.427206 0.00572668  -0.0147234  -0.060076   12  GLN A OE1  
126  N NE2  . GLN A 12  ? 0.248888 0.386728 0.464162 0.0074961   -0.0595546  0.00723686  12  GLN A NE2  
127  H H    . GLN A 12  ? 0.366814 0.366274 0.428559 -0.0158953  -0.00051999 -0.017711   12  GLN A H    
128  H HA   . GLN A 12  ? 0.386363 0.374326 0.443609 -0.0227806  -0.00647678 -0.0297712  12  GLN A HA   
129  H HB2  . GLN A 12  ? 0.382005 0.394453 0.449789 -0.0348184  -0.0108434  -0.0213437  12  GLN A HB2  
130  H HB3  . GLN A 12  ? 0.368862 0.387129 0.434327 -0.0241015  -0.0066259  -0.0218007  12  GLN A HB3  
131  H HG2  . GLN A 12  ? 0.361116 0.385726 0.433813 -0.0203799  0.00137834  -0.011874   12  GLN A HG2  
132  H HG3  . GLN A 12  ? 0.371585 0.391872 0.44772  -0.0303852  -0.00170451 -0.00960391 12  GLN A HG3  
133  H HE21 . GLN A 12  ? 0.368994 0.441872 0.475702 -0.0424016  -0.00786454 0.00212029  12  GLN A HE21 
134  H HE22 . GLN A 12  ? 0.379043 0.422217 0.470428 -0.0462324  -0.00937388 -0.00484298 12  GLN A HE22 
135  N N    . SER A 13  ? 0.392665 0.297191 0.432603 -0.0622283  -0.034265   0.00624638  13  SER A N    
136  C CA   . SER A 13  ? 0.38339  0.30358  0.461148 -0.0682226  -0.00193164 -0.00554853 13  SER A CA   
137  C C    . SER A 13  ? 0.376548 0.34778  0.463013 -0.0711675  0.00397451  0.00183062  13  SER A C    
138  O O    . SER A 13  ? 0.335952 0.308595 0.464849 -0.0851054  0.0229752   -0.0162693  13  SER A O    
139  C CB   . SER A 13  ? 0.42479  0.263858 0.484377 -0.0848771  -0.0223086  -0.00666946 13  SER A CB   
140  O OG   . SER A 13  ? 0.413937 0.215536 0.505817 -0.0975405  -0.0289312  -0.023969   13  SER A OG   
141  H H    . SER A 13  ? 0.415911 0.378138 0.470167 -0.0350776  -0.0117216  -0.0303892  13  SER A H    
142  H HA   . SER A 13  ? 0.42611  0.376965 0.486477 -0.0423779  -0.0119259  -0.0134628  13  SER A HA   
143  H HB2  . SER A 13  ? 0.608887 0.529051 0.659759 -0.0610433  -0.0200788  -0.020313   13  SER A HB2  
144  H HB3  . SER A 13  ? 0.603024 0.518934 0.648859 -0.0453712  -0.016486   -0.0307169  13  SER A HB3  
146  N N    . THR A 14  ? 0.343246 0.341584 0.507497 -0.121595   0.00114177  0.0142851   14  THR A N    
147  C CA   . THR A 14  ? 0.345061 0.393331 0.500043 -0.0885849  0.013747    0.0309403   14  THR A CA   
148  C C    . THR A 14  ? 0.382484 0.446635 0.50837  -0.0698028  -0.00076775 0.0250194   14  THR A C    
149  O O    . THR A 14  ? 0.388416 0.519239 0.514036 -0.0392682  -0.023667   0.0407056   14  THR A O    
150  C CB   . THR A 14  ? 0.354997 0.451566 0.52217  -0.115219   0.0317478   0.0432777   14  THR A CB   
151  O OG1  . THR A 14  ? 0.311363 0.424461 0.57891  -0.113025   0.0679084   0.0886223   14  THR A OG1  
152  C CG2  . THR A 14  ? 0.354645 0.507909 0.492059 -0.142842   0.0198749   0.0331033   14  THR A CG2  
153  H H    . THR A 14  ? 0.437042 0.400418 0.505349 -0.0649216  -0.0134717  -0.00015892 14  THR A H    
154  H HA   . THR A 14  ? 0.406485 0.429927 0.497455 -0.0658349  -0.00511855 0.00919157  14  THR A HA   
155  H HB   . THR A 14  ? 0.455694 0.435253 0.535994 -0.0932015  -0.0153824  0.0150461   14  THR A HB   
157  H HG21 . THR A 14  ? 0.447164 0.478302 0.550453 -0.105812   -0.00465164 0.0344729   14  THR A HG21 
158  H HG22 . THR A 14  ? 0.42058  0.47545  0.531905 -0.089014   -0.00038732 0.0285309   14  THR A HG22 
159  H HG23 . THR A 14  ? 0.440089 0.480137 0.549953 -0.106594   -0.0131682  0.0258254   14  THR A HG23 
160  N N    . SER A 15  ? 0.414091 0.408532 0.555357 -0.0794254  -0.0207516  0.0158844   15  SER A N    
161  C CA   . SER A 15  ? 0.40077  0.411019 0.551963 -0.0953679  -0.0180917  -0.0036824  15  SER A CA   
162  C C    . SER A 15  ? 0.393072 0.426403 0.518173 -0.0750431  -0.0354506  -0.00727369 15  SER A C    
163  O O    . SER A 15  ? 0.412969 0.441403 0.518512 -0.0894521  -0.0413691  0.0247124   15  SER A O    
164  C CB   . SER A 15  ? 0.439492 0.399975 0.622219 -0.108492   -0.0150159  -0.0418233  15  SER A CB   
165  O OG   . SER A 15  ? 0.512892 0.338132 0.617048 -0.0766022  0.0604588   -0.0380808  15  SER A OG   
166  H H    . SER A 15  ? 0.454696 0.427635 0.525675 -0.0884913  -0.0259518  -0.00827354 15  SER A H    
167  H HA   . SER A 15  ? 0.451681 0.480256 0.546096 -0.11299    -0.0375652  0.00061276  15  SER A HA   
168  H HB2  . SER A 15  ? 0.501063 0.475415 0.559752 -0.12867    -0.0505032  -0.0190448  15  SER A HB2  
169  H HB3  . SER A 15  ? 0.502436 0.457558 0.563297 -0.123265   -0.0426691  -0.0131138  15  SER A HB3  
171  N N    . GLY A 16  ? 0.39382  0.402151 0.509374 -0.0634391  -0.0063811  0.0152002   16  GLY A N    
172  C CA   . GLY A 16  ? 0.407959 0.40441  0.495803 -0.0657516  -0.028266   0.00054542  16  GLY A CA   
173  C C    . GLY A 16  ? 0.460648 0.384507 0.481706 -0.0474843  -0.0183181  -0.0246675  16  GLY A C    
174  O O    . GLY A 16  ? 0.530115 0.445547 0.496735 -0.00158352 -0.0171148  -0.0150809  16  GLY A O    
175  H H    . GLY A 16  ? 0.420736 0.42579  0.493694 -0.069508   -0.0242627  -0.0166615  16  GLY A H    
176  H HA2  . GLY A 16  ? 0.3943   0.433423 0.474424 -0.0560722  -0.0230553  -0.0148474  16  GLY A HA2  
177  H HA3  . GLY A 16  ? 0.410543 0.459107 0.490564 -0.0723178  -0.0345179  -0.0146265  16  GLY A HA3  
178  N N    . VAL A 17  ? 0.452978 0.353688 0.448097 -0.0565706  -0.0274008  -0.0236796  17  VAL A N    
179  C CA   . VAL A 17  ? 0.431027 0.311912 0.457545 -0.0705851  -0.0325593  -0.0382985  17  VAL A CA   
180  C C    . VAL A 17  ? 0.388723 0.329321 0.447145 -0.0490736  -0.00637652 -0.0267432  17  VAL A C    
181  O O    . VAL A 17  ? 0.327495 0.28445  0.457603 -0.0500071  0.00626523  -0.0356212  17  VAL A O    
182  C CB   . VAL A 17  ? 0.452289 0.318854 0.489593 -0.0658088  -0.0436998  -0.0617962  17  VAL A CB   
183  C CG1  . VAL A 17  ? 0.488348 0.302023 0.502661 -0.0574286  -0.0508713  -0.0958393  17  VAL A CG1  
184  C CG2  . VAL A 17  ? 0.51447  0.256401 0.52531  -0.100295   -0.0469239  -0.0306526  17  VAL A CG2  
185  H H    . VAL A 17  ? 0.444888 0.415832 0.489728 -0.0655626  -0.027012   -0.0365862  17  VAL A H    
186  H HA   . VAL A 17  ? 0.460401 0.425614 0.475805 -0.0598946  -0.0268764  -0.0546742  17  VAL A HA   
187  H HB   . VAL A 17  ? 0.483561 0.400513 0.50225  -0.0552647  -0.0211467  -0.0559066  17  VAL A HB   
188  H HG11 . VAL A 17  ? 0.510503 0.420837 0.493972 -0.0520431  -0.0171694  -0.0784974  17  VAL A HG11 
189  H HG12 . VAL A 17  ? 0.490893 0.400803 0.493434 -0.0365865  -0.0100061  -0.0716539  17  VAL A HG12 
190  H HG13 . VAL A 17  ? 0.532712 0.409794 0.516456 -0.0500811  -0.0152848  -0.0808908  17  VAL A HG13 
191  H HG21 . VAL A 17  ? 0.541536 0.425579 0.530798 -0.0824123  -0.0330174  -0.0695706  17  VAL A HG21 
192  H HG22 . VAL A 17  ? 0.504653 0.431776 0.518545 -0.0866297  -0.0369386  -0.0534352  17  VAL A HG22 
193  H HG23 . VAL A 17  ? 0.521455 0.44146  0.512847 -0.0856982  -0.0374391  -0.066699   17  VAL A HG23 
194  N N    . ILE A 18  ? 0.430822 0.3255   0.44112  -0.0497387  -0.015894   -0.00245595 18  ILE A N    
195  C CA   . ILE A 18  ? 0.410041 0.334076 0.404438 -0.0271369  -0.00194872 -0.0374143  18  ILE A CA   
196  C C    . ILE A 18  ? 0.424691 0.376962 0.444761 -0.00115636 -0.00252148 -0.052562   18  ILE A C    
197  O O    . ILE A 18  ? 0.366241 0.406569 0.472781 -0.00424932 0.0445116   -0.0559339  18  ILE A O    
198  C CB   . ILE A 18  ? 0.405519 0.309138 0.384623 -0.0454293  0.0046031   -0.0142872  18  ILE A CB   
199  C CG1  . ILE A 18  ? 0.414141 0.350332 0.400843 -0.0584092  -0.00491297 -0.0249097  18  ILE A CG1  
200  C CG2  . ILE A 18  ? 0.38285  0.299744 0.424792 -0.0522461  0.00775774  0.00795912  18  ILE A CG2  
201  C CD1  . ILE A 18  ? 0.422523 0.379736 0.345427 -0.0546648  1.933e-05   0.0221551   18  ILE A CD1  
202  H H    . ILE A 18  ? 0.440354 0.414267 0.453465 -0.0391615  -0.0148616  -0.0574523  18  ILE A H    
203  H HA   . ILE A 18  ? 0.408963 0.384759 0.445926 -0.0180787  -0.00347997 -0.0488096  18  ILE A HA   
204  H HB   . ILE A 18  ? 0.390669 0.391108 0.425142 -0.0138709  -6.903e-05  -0.0453666  18  ILE A HB   
205  H HG12 . ILE A 18  ? 0.419122 0.421738 0.430644 -0.0316483  -0.0118786  -0.0507387  18  ILE A HG12 
206  H HG13 . ILE A 18  ? 0.423658 0.417484 0.429888 -0.0223145  -0.00146088 -0.0580931  18  ILE A HG13 
207  H HG21 . ILE A 18  ? 0.376007 0.394591 0.419963 -0.0195065  -0.0073058  -0.0327416  18  ILE A HG21 
208  H HG22 . ILE A 18  ? 0.390859 0.404096 0.432373 -0.0291731  -0.0131674  -0.0363175  18  ILE A HG22 
209  H HG23 . ILE A 18  ? 0.380341 0.386674 0.428854 -0.021106   -0.0069608  -0.0346486  18  ILE A HG23 
210  H HD11 . ILE A 18  ? 0.392324 0.410058 0.411894 -0.0167128  -0.00024065 -0.0424213  18  ILE A HD11 
211  H HD12 . ILE A 18  ? 0.410433 0.429672 0.414321 -0.0252361  -0.0065414  -0.0449519  18  ILE A HD12 
212  H HD13 . ILE A 18  ? 0.390477 0.414982 0.414351 -0.0223429  -0.00899318 -0.0361764  18  ILE A HD13 
213  N N    . GLY A 19  ? 0.469196 0.348413 0.466613 -0.00925854 0.00473104  -0.0864212  19  GLY A N    
214  C CA   . GLY A 19  ? 0.488238 0.362873 0.451411 -0.0337214  0.0194067   -0.0929606  19  GLY A CA   
215  C C    . GLY A 19  ? 0.513015 0.404694 0.458971 -0.0136949  0.0131081   -0.136453   19  GLY A C    
216  O O    . GLY A 19  ? 0.529749 0.414974 0.465109 -0.00566965 0.0163986   -0.160975   19  GLY A O    
217  H H    . GLY A 19  ? 0.469507 0.418222 0.461512 -0.0296316  -0.00378835 -0.074558   19  GLY A H    
218  H HA2  . GLY A 19  ? 0.480506 0.416973 0.47831  -0.00187916 0.0177909   -0.0844193  19  GLY A HA2  
219  H HA3  . GLY A 19  ? 0.482184 0.432426 0.462546 -0.0114905  0.0157208   -0.0863035  19  GLY A HA3  
220  N N    . ARG A 20  ? 0.473665 0.421472 0.507473 -0.0070153  -0.0330835  -0.1229     20  ARG A N    
221  C CA   . ARG A 20  ? 0.545947 0.458747 0.570564 0.00527004  0.00346622  -0.151923   20  ARG A CA   
222  C C    . ARG A 20  ? 0.589207 0.513194 0.605559 0.013242    0.0148642   -0.187091   20  ARG A C    
223  O O    . ARG A 20  ? 0.551637 0.507899 0.663693 0.0229597   0.0138258   -0.21942    20  ARG A O    
224  C CB   . ARG A 20  ? 0.578389 0.456146 0.589512 0.017719    5.789e-05   -0.112076   20  ARG A CB   
225  C CG   . ARG A 20  ? 0.629411 0.458063 0.642002 0.0225447   0.00454142  -0.099218   20  ARG A CG   
226  C CD   . ARG A 20  ? 0.658499 0.452785 0.687146 0.0199951   0.00673519  -0.0605819  20  ARG A CD   
227  N NE   . ARG A 20  ? 0.654738 0.421777 0.657547 -0.0104025  0.0115088   -0.0434488  20  ARG A NE   
228  C CZ   . ARG A 20  ? 0.688912 0.436269 0.662198 -0.00534621 -0.00306116 -0.0314019  20  ARG A CZ   
229  N NH1  . ARG A 20  ? 0.735397 0.452765 0.683252 0.0188799   -0.0341446  -0.0257636  20  ARG A NH1  
230  N NH2  . ARG A 20  ? 0.661803 0.404019 0.602721 -0.0121958  0.00254176  -0.0427958  20  ARG A NH2  
231  H H    . ARG A 20  ? 0.542685 0.434419 0.513172 0.00532207  0.0292766   -0.10718    20  ARG A H    
232  H HA   . ARG A 20  ? 0.613601 0.460747 0.523467 -0.0236384  0.0196402   -0.13041    20  ARG A HA   
233  H HB2  . ARG A 20  ? 0.602121 0.430319 0.53989  -0.0278704  0.00754191  -0.116767   20  ARG A HB2  
234  H HB3  . ARG A 20  ? 0.607228 0.424898 0.557401 -0.00370212 0.0214669   -0.118972   20  ARG A HB3  
235  H HG2  . ARG A 20  ? 0.697648 0.450575 0.594106 -0.00681232 0.0310244   -0.150465   20  ARG A HG2  
236  H HG3  . ARG A 20  ? 0.693488 0.459493 0.572956 -0.0341848  0.0153984   -0.14914    20  ARG A HG3  
237  H HD2  . ARG A 20  ? 0.679752 0.420496 0.603637 -0.0196257  0.0123053   -0.129173   20  ARG A HD2  
238  H HD3  . ARG A 20  ? 0.738129 0.439312 0.620487 -0.0336504  0.011804    -0.1496     20  ARG A HD3  
239  H HE   . ARG A 20  ? 0.661666 0.441145 0.568349 -0.0613217  -0.00998631 -0.125535   20  ARG A HE   
240  H HH11 . ARG A 20  ? 0.724446 0.413383 0.636439 -0.0457995  -0.0039014  -0.125387   20  ARG A HH11 
241  H HH12 . ARG A 20  ? 0.701687 0.408519 0.629261 -0.0659094  -0.0175234  -0.108345   20  ARG A HH12 
242  H HH21 . ARG A 20  ? 0.64707  0.441761 0.572468 -0.0919881  -0.0313751  -0.106173   20  ARG A HH21 
243  H HH22 . ARG A 20  ? 0.664783 0.430249 0.596646 -0.0959049  -0.0332346  -0.100515   20  ARG A HH22 
244  N N    . GLY A 21  ? 0.672919 0.55698  0.608816 0.0014656   0.0446495   -0.230651   21  GLY A N    
245  C CA   . GLY A 21  ? 0.704627 0.627527 0.683357 0.0145427   0.0654636   -0.22193    21  GLY A CA   
246  C C    . GLY A 21  ? 0.674972 0.662482 0.695967 0.0156736   0.0514074   -0.205517   21  GLY A C    
247  O O    . GLY A 21  ? 0.719405 0.756347 0.71867  0.091648    0.0923381   -0.19155    21  GLY A O    
248  H H    . GLY A 21  ? 0.679098 0.493941 0.546431 -0.0125781  0.0411746   -0.157684   21  GLY A H    
249  H HA2  . GLY A 21  ? 0.735233 0.526209 0.578828 0.0132373   0.072902    -0.181389   21  GLY A HA2  
250  H HA3  . GLY A 21  ? 0.721539 0.502666 0.600798 0.0308089   0.0742942   -0.173132   21  GLY A HA3  
251  N N    . GLY A 22  ? 0.609648 0.671523 0.644157 -0.00339538 0.0727037   -0.216642   22  GLY A N    
252  C CA   . GLY A 22  ? 0.595688 0.6319   0.642545 -0.0141961  0.111105    -0.193239   22  GLY A CA   
253  C C    . GLY A 22  ? 0.524979 0.60411  0.668138 -0.0428277  0.091841    -0.115452   22  GLY A C    
254  O O    . GLY A 22  ? 0.558478 0.622756 0.677408 -0.0810824  0.083891    -0.0864723  22  GLY A O    
255  H H    . GLY A 22  ? 0.617822 0.501439 0.523461 0.0104898   0.0591208   -0.141228   22  GLY A H    
256  H HA2  . GLY A 22  ? 0.583497 0.52183  0.506582 0.0188759   0.0727344   -0.129376   22  GLY A HA2  
257  H HA3  . GLY A 22  ? 0.618179 0.542602 0.539774 0.0384286   0.093555    -0.14309    22  GLY A HA3  
258  N N    . ASP A 23  ? 0.513961 0.557174 0.67733  -0.0348574  0.0647435   -0.0925907  23  ASP A N    
259  C CA   . ASP A 23  ? 0.444355 0.571941 0.692132 -0.00624211 0.0605305   -0.0944786  23  ASP A CA   
260  C C    . ASP A 23  ? 0.408334 0.534671 0.631292 -0.00832216 0.0326756   -0.116323   23  ASP A C    
261  O O    . ASP A 23  ? 0.386391 0.473296 0.595935 0.0185176   0.0162219   -0.12469    23  ASP A O    
262  C CB   . ASP A 23  ? 0.491468 0.617739 0.766073 0.0561063   0.0720224   -0.0774259  23  ASP A CB   
263  C CG   . ASP A 23  ? 0.544706 0.668836 0.851401 0.0876312   0.135767    -0.0193545  23  ASP A CG   
264  O OD1  . ASP A 23  ? 0.522945 0.721752 0.888146 0.0680818   0.157642    0.0146272   23  ASP A OD1  
265  O OD2  . ASP A 23  ? 0.620955 0.723665 0.957766 0.164384    0.14265     -0.0486101  23  ASP A OD2  
266  H H    . ASP A 23  ? 0.570186 0.474569 0.539427 0.0363889   0.0628516   -0.121967   23  ASP A H    
267  H HA   . ASP A 23  ? 0.505941 0.475342 0.537696 0.0540501   0.067228    -0.0952211  23  ASP A HA   
268  H HB2  . ASP A 23  ? 0.571105 0.46267  0.585326 0.0658333   0.0674232   -0.112252   23  ASP A HB2  
269  H HB3  . ASP A 23  ? 0.53081  0.461984 0.58192  0.0735694   0.0651091   -0.094153   23  ASP A HB3  
270  N N    . ILE A 24  ? 0.373098 0.548156 0.651177 -0.0459186  0.0197004   -0.103606   24  ILE A N    
271  C CA   . ILE A 24  ? 0.414927 0.492909 0.608934 -0.0255268  0.0168012   -0.0852599  24  ILE A CA   
272  C C    . ILE A 24  ? 0.386803 0.497165 0.631385 0.00302026  -0.00804689 -0.0801844  24  ILE A C    
273  O O    . ILE A 24  ? 0.352091 0.518553 0.676933 0.0388388   0.00438542  -0.0965221  24  ILE A O    
274  C CB   . ILE A 24  ? 0.433138 0.480041 0.58097  -0.0226904  0.00887938  -0.0545603  24  ILE A CB   
275  C CG1  . ILE A 24  ? 0.496434 0.52647  0.580626 -0.0168889  0.0310995   -0.0565154  24  ILE A CG1  
276  C CG2  . ILE A 24  ? 0.410594 0.407737 0.578104 -0.0574068  -0.00626857 -0.0386397  24  ILE A CG2  
277  C CD1  . ILE A 24  ? 0.455388 0.461795 0.713921 -0.0203793  -0.00628221 -0.0731475  24  ILE A CD1  
278  H H    . ILE A 24  ? 0.468379 0.439911 0.53053  0.0509134   0.0467135   -0.07428    24  ILE A H    
279  H HA   . ILE A 24  ? 0.457947 0.404652 0.498677 0.0236994   0.0249997   -0.0707221  24  ILE A HA   
280  H HB   . ILE A 24  ? 0.430967 0.413911 0.515807 0.0433621   0.0276804   -0.0518717  24  ILE A HB   
281  H HG12 . ILE A 24  ? 0.413375 0.406517 0.468079 0.0194557   0.0238683   -0.0570295  24  ILE A HG12 
282  H HG13 . ILE A 24  ? 0.419071 0.425315 0.487112 0.0320545   0.0338509   -0.0578641  24  ILE A HG13 
283  H HG21 . ILE A 24  ? 0.404986 0.387557 0.485539 0.0252229   0.0115509   -0.0388614  24  ILE A HG21 
284  H HG22 . ILE A 24  ? 0.417671 0.382914 0.480408 0.0174193   0.0117359   -0.0484694  24  ILE A HG22 
285  H HG23 . ILE A 24  ? 0.433155 0.386471 0.507616 0.029796    0.0131985   -0.0457802  24  ILE A HG23 
286  H HD11 . ILE A 24  ? 0.387522 0.413994 0.479418 0.0283083   0.0213395   -0.0379708  24  ILE A HD11 
287  H HD12 . ILE A 24  ? 0.382993 0.411543 0.457783 0.0183864   0.0225706   -0.0420294  24  ILE A HD12 
288  H HD13 . ILE A 24  ? 0.383146 0.394768 0.458852 0.0175315   0.0149718   -0.0391084  24  ILE A HD13 
289  N N    . PRO A 25  ? 0.384739 0.469789 0.624461 -0.00955426 0.0266919   -0.0841664  25  PRO A N    
290  C CA   . PRO A 25  ? 0.431029 0.446417 0.61588  -0.0186966  0.0285493   -0.0959711  25  PRO A CA   
291  C C    . PRO A 25  ? 0.485395 0.411747 0.64398  -0.0471038  0.0167761   -0.0730546  25  PRO A C    
292  O O    . PRO A 25  ? 0.563906 0.36858  0.646549 -0.0668352  0.0296844   -0.0664522  25  PRO A O    
293  C CB   . PRO A 25  ? 0.444892 0.444709 0.604386 -0.00682332 0.00582123  -0.115729   25  PRO A CB   
294  C CG   . PRO A 25  ? 0.393031 0.413576 0.535109 -0.0435397  0.00221194  -0.131082   25  PRO A CG   
295  C CD   . PRO A 25  ? 0.387539 0.45067  0.58041  -0.0257058  0.0202352   -0.0801957  25  PRO A CD   
296  H HA   . PRO A 25  ? 0.552158 0.40079  0.587373 0.0457939   0.0288201   -0.0819283  25  PRO A HA   
297  H HB2  . PRO A 25  ? 0.574028 0.386325 0.580011 0.0108356   0.0117794   -0.0844243  25  PRO A HB2  
298  H HB3  . PRO A 25  ? 0.57371  0.400987 0.569596 0.0166013   0.021395    -0.0969274  25  PRO A HB3  
299  H HG2  . PRO A 25  ? 0.509869 0.379207 0.531533 -0.00416826 0.00260653  -0.0684094  25  PRO A HG2  
300  H HG3  . PRO A 25  ? 0.526455 0.392812 0.527628 -0.00885254 0.00576803  -0.0830335  25  PRO A HG3  
301  H HD2  . PRO A 25  ? 0.465111 0.382133 0.502768 0.00773478  0.00913736  -0.0631236  25  PRO A HD2  
302  H HD3  . PRO A 25  ? 0.487537 0.396816 0.506864 0.00866424  0.0159904   -0.0779634  25  PRO A HD3  
303  N N    . TRP A 26  ? 0.465382 0.420874 0.63384  -0.0320606  0.0189558   -0.0525113  26  TRP A N    
304  C CA   . TRP A 26  ? 0.479937 0.400987 0.657539 -0.00694159 0.00765613  -0.0274163  26  TRP A CA   
305  C C    . TRP A 26  ? 0.463226 0.424973 0.662016 0.00657948  0.00711285  -0.0237863  26  TRP A C    
306  O O    . TRP A 26  ? 0.3898   0.467732 0.669151 0.0483222   0.048508    -0.0367504  26  TRP A O    
307  C CB   . TRP A 26  ? 0.456028 0.325796 0.606103 -0.0153452  -0.00739496 -0.0402287  26  TRP A CB   
308  C CG   . TRP A 26  ? 0.423962 0.341817 0.543981 0.00927618  -0.0142961  -0.0275995  26  TRP A CG   
309  C CD1  . TRP A 26  ? 0.39808  0.344041 0.525452 0.0164819   -0.00975598 -0.0203381  26  TRP A CD1  
310  C CD2  . TRP A 26  ? 0.423429 0.316466 0.525739 0.00692579  -0.00564152 -0.0465462  26  TRP A CD2  
311  N NE1  . TRP A 26  ? 0.403239 0.384895 0.509479 -0.00637593 -0.0224949  -0.0167416  26  TRP A NE1  
312  C CE2  . TRP A 26  ? 0.397797 0.352329 0.513955 0.0161873   -0.00333404 -0.0257362  26  TRP A CE2  
313  C CE3  . TRP A 26  ? 0.378302 0.307234 0.57167  -0.00660758 0.00750026  -0.0385791  26  TRP A CE3  
314  C CZ2  . TRP A 26  ? 0.391233 0.314398 0.497882 0.0146846   0.0101575   -0.0415213  26  TRP A CZ2  
315  C CZ3  . TRP A 26  ? 0.391397 0.304046 0.521644 -0.0371536  0.00636817  -0.0552589  26  TRP A CZ3  
316  C CH2  . TRP A 26  ? 0.386896 0.3052   0.479624 -0.0286723  0.0205528   -0.0466663  26  TRP A CH2  
317  H H    . TRP A 26  ? 0.487158 0.389518 0.562015 0.0459361   0.0160035   -0.0501756  26  TRP A H    
318  H HA   . TRP A 26  ? 0.526204 0.381257 0.606837 0.0512782   0.00517057  -0.0335255  26  TRP A HA   
319  H HB2  . TRP A 26  ? 0.484334 0.370957 0.565688 0.0295489   -0.00791327 -0.0143018  26  TRP A HB2  
320  H HB3  . TRP A 26  ? 0.496528 0.365639 0.561694 0.0195614   -0.00454112 -0.0286986  26  TRP A HB3  
321  H HD1  . TRP A 26  ? 0.430218 0.379816 0.524938 0.0303037   -0.00563386 -0.012746   26  TRP A HD1  
322  H HE1  . TRP A 26  ? 0.397434 0.37183  0.479392 0.0150431   -0.00284505 -0.0198155  26  TRP A HE1  
323  H HE3  . TRP A 26  ? 0.475987 0.364716 0.524074 -0.00276613 -0.00424178 -0.0421368  26  TRP A HE3  
324  H HZ2  . TRP A 26  ? 0.389264 0.364277 0.453059 0.00014567  -0.00033364 -0.0309741  26  TRP A HZ2  
325  H HZ3  . TRP A 26  ? 0.449455 0.37051  0.491495 -0.0185032  -0.00654774 -0.0456964  26  TRP A HZ3  
326  H HH2  . TRP A 26  ? 0.406591 0.368673 0.458474 -0.0126603  -0.00340092 -0.0389709  26  TRP A HH2  
327  N N    . SER A 27  ? 0.518777 0.410281 0.646964 -0.00024886 -0.00371833 -0.00298304 27  SER A N    
328  C CA   . SER A 27  ? 0.51941  0.475987 0.705294 -0.00553838 -0.0126061  0.00175733  27  SER A CA   
329  C C    . SER A 27  ? 0.573013 0.461434 0.67049  -0.0164489  -0.0310851  0.0297394   27  SER A C    
330  O O    . SER A 27  ? 0.67448  0.485214 0.669869 -0.0155302  -0.032187   0.0582922   27  SER A O    
331  C CB   . SER A 27  ? 0.542426 0.529001 0.837762 0.0248609   -0.00291494 0.0264019   27  SER A CB   
332  O OG   . SER A 27  ? 0.55618  0.536417 0.928431 0.0383049   -0.00204188 0.0495393   27  SER A OG   
333  H H    . SER A 27  ? 0.499154 0.393162 0.609575 0.0601816   -0.00560096 -0.00566463 27  SER A H    
334  H HA   . SER A 27  ? 0.449087 0.416204 0.584479 0.0643345   -0.00175422 -0.00362663 27  SER A HA   
335  H HB2  . SER A 27  ? 0.493767 0.438713 0.651463 0.0972403   0.00802431  -0.0046702  27  SER A HB2  
336  H HB3  . SER A 27  ? 0.504439 0.434316 0.662391 0.0942543   -0.00577566 0.0122323   27  SER A HB3  
338  N N    . VAL A 28  ? 0.418991 0.428794 0.583813 0.0236589   -0.0350493  0.0383578   28  VAL A N    
339  C CA   . VAL A 28  ? 0.398993 0.390463 0.572954 -0.0328067  -0.044111   0.0386915   28  VAL A CA   
340  C C    . VAL A 28  ? 0.34952  0.447152 0.58528  -0.0382455  -0.0405934  0.0535052   28  VAL A C    
341  O O    . VAL A 28  ? 0.329738 0.387018 0.566126 -0.074577   -0.0408482  0.0318996   28  VAL A O    
342  C CB   . VAL A 28  ? 0.379825 0.396102 0.50841  -0.0546587  -0.0305853  0.0353759   28  VAL A CB   
343  C CG1  . VAL A 28  ? 0.354439 0.433503 0.507084 -0.0672655  -0.0141732  0.0613663   28  VAL A CG1  
344  C CG2  . VAL A 28  ? 0.396248 0.425604 0.490994 -0.0572376  -0.0653592  0.0494873   28  VAL A CG2  
345  H H    . VAL A 28  ? 0.422387 0.408376 0.546421 0.0427259   -0.0141668  0.00763705  28  VAL A H    
346  H HA   . VAL A 28  ? 0.44061  0.416179 0.555269 0.0328766   -0.0340369  0.0344218   28  VAL A HA   
347  H HB   . VAL A 28  ? 0.410992 0.386489 0.501453 0.015794    -0.019946   0.0100013   28  VAL A HB   
348  H HG11 . VAL A 28  ? 0.431341 0.406502 0.508835 0.00569535  -0.0368316  0.0357306   28  VAL A HG11 
349  H HG12 . VAL A 28  ? 0.409929 0.400757 0.487549 0.00327241  -0.0306984  0.0240475   28  VAL A HG12 
350  H HG13 . VAL A 28  ? 0.419289 0.389443 0.485677 -0.00127131 -0.0272187  0.0232778   28  VAL A HG13 
351  H HG21 . VAL A 28  ? 0.437012 0.377335 0.512235 0.00663608  -0.0224393  0.0163504   28  VAL A HG21 
352  H HG22 . VAL A 28  ? 0.445951 0.380387 0.535631 0.0217664   -0.0199899  0.0111626   28  VAL A HG22 
353  H HG23 . VAL A 28  ? 0.454772 0.389472 0.541173 0.0176347   -0.029157   0.0277592   28  VAL A HG23 
354  N N    . PRO A 29  ? 0.343491 0.470677 0.573607 -0.0293856  -0.0479115  0.0610105   29  PRO A N    
355  C CA   . PRO A 29  ? 0.346125 0.480414 0.581446 -0.0383765  -0.0600322  0.0690122   29  PRO A CA   
356  C C    . PRO A 29  ? 0.376472 0.44212  0.530382 -0.0935626  -0.0614543  0.101006    29  PRO A C    
357  O O    . PRO A 29  ? 0.301657 0.460729 0.553037 -0.129778   -0.0462812  0.126774    29  PRO A O    
358  C CB   . PRO A 29  ? 0.400838 0.525448 0.625615 -0.0370999  -0.120827   0.0851628   29  PRO A CB   
359  C CG   . PRO A 29  ? 0.409427 0.531155 0.656939 -0.0238397  -0.105784   0.101137    29  PRO A CG   
360  C CD   . PRO A 29  ? 0.384386 0.472704 0.604938 -0.0393603  -0.0616644  0.103716    29  PRO A CD   
361  H HA   . PRO A 29  ? 0.399223 0.470683 0.555179 0.0307698   -0.0386244  0.0395042   29  PRO A HA   
362  H HB2  . PRO A 29  ? 0.427758 0.503146 0.578981 0.0226973   -0.067309   0.0704512   29  PRO A HB2  
363  H HB3  . PRO A 29  ? 0.415576 0.517273 0.599187 0.0360099   -0.0588537  0.0666832   29  PRO A HB3  
364  H HG2  . PRO A 29  ? 0.45114  0.504443 0.627906 0.0521481   -0.0635046  0.0781429   29  PRO A HG2  
365  H HG3  . PRO A 29  ? 0.437552 0.5009   0.631231 0.0634245   -0.0477724  0.0632176   29  PRO A HG3  
366  H HD2  . PRO A 29  ? 0.448717 0.455518 0.584647 0.038695    -0.0511251  0.058557    29  PRO A HD2  
367  H HD3  . PRO A 29  ? 0.445793 0.453137 0.600946 0.055142    -0.0385236  0.0467094   29  PRO A HD3  
368  N N    . GLU A 30  ? 0.33172  0.406771 0.549534 -0.0990656  -0.0475273  0.0785011   30  GLU A N    
369  C CA   . GLU A 30  ? 0.401939 0.395673 0.505206 -0.0844516  -0.0463358  0.0913329   30  GLU A CA   
370  C C    . GLU A 30  ? 0.438824 0.362053 0.473354 -0.0857451  -0.031936   0.0666286   30  GLU A C    
371  O O    . GLU A 30  ? 0.444746 0.338493 0.429142 -0.0106294  -0.0488528  0.0540184   30  GLU A O    
372  C CB   . GLU A 30  ? 0.488688 0.37785  0.490265 -0.129304   -0.0753704  0.108445    30  GLU A CB   
373  C CG   . GLU A 30  ? 0.47842  0.401216 0.490277 -0.136689   -0.103346   0.11667     30  GLU A CG   
374  C CD   . GLU A 30  ? 0.490271 0.419115 0.484832 -0.0938267  -0.103681   0.109943    30  GLU A CD   
375  O OE1  . GLU A 30  ? 0.559612 0.376928 0.465226 -0.0810784  -0.0836829  0.0785808   30  GLU A OE1  
376  O OE2  . GLU A 30  ? 0.412289 0.467687 0.503239 -0.097143   -0.10562    0.113766    30  GLU A OE2  
377  H H    . GLU A 30  ? 0.421273 0.447581 0.516893 0.00392959  -0.0521525  0.0474658   30  GLU A H    
378  H HA   . GLU A 30  ? 0.421995 0.468123 0.491038 -0.0225713  -0.0620667  0.0469196   30  GLU A HA   
379  H HB2  . GLU A 30  ? 0.431576 0.434419 0.476407 -0.0186385  -0.0488773  0.0421567   30  GLU A HB2  
380  H HB3  . GLU A 30  ? 0.440417 0.449872 0.465164 -0.032067   -0.0550172  0.0426301   30  GLU A HB3  
381  H HG2  . GLU A 30  ? 0.468445 0.475703 0.493874 -0.0306372  -0.0709737  0.0661842   30  GLU A HG2  
382  H HG3  . GLU A 30  ? 0.456047 0.489279 0.509872 -0.0248208  -0.077617   0.0686253   30  GLU A HG3  
383  N N    . ASP A 31  ? 0.442288 0.33593  0.460838 -0.0797601  -0.0116887  0.053816    31  ASP A N    
384  C CA   . ASP A 31  ? 0.396157 0.34181  0.494867 -0.0514985  0.00030503  0.0409121   31  ASP A CA   
385  C C    . ASP A 31  ? 0.354482 0.379061 0.486491 -0.0398108  0.0118989   0.036155    31  ASP A C    
386  O O    . ASP A 31  ? 0.325548 0.334467 0.445207 -0.0501724  0.00221325  0.0178336   31  ASP A O    
387  C CB   . ASP A 31  ? 0.332154 0.329316 0.462781 -0.0344795  0.0160521   0.048641    31  ASP A CB   
388  C CG   . ASP A 31  ? 0.338384 0.315558 0.486776 -0.0473028  0.00637721  0.0447731   31  ASP A CG   
389  O OD1  . ASP A 31  ? 0.341341 0.303193 0.455301 -0.0126663  0.0176932   0.0638374   31  ASP A OD1  
390  O OD2  . ASP A 31  ? 0.262782 0.311692 0.503914 -0.0577661  -0.00772588 0.0320649   31  ASP A OD2  
391  H H    . ASP A 31  ? 0.395129 0.415439 0.477469 -0.00157571 -0.0336061  0.0225958   31  ASP A H    
392  H HA   . ASP A 31  ? 0.385053 0.396463 0.436382 -0.0161467  -0.0234487  0.00753559  31  ASP A HA   
393  H HB2  . ASP A 31  ? 0.381389 0.382221 0.447764 -0.00404102 -0.0170297  0.00354439  31  ASP A HB2  
394  H HB3  . ASP A 31  ? 0.377653 0.3923   0.462694 0.00430974  -0.0172298  0.00326385  31  ASP A HB3  
395  N N    . LEU A 32  ? 0.341444 0.396    0.472495 -0.0155847  0.017678    0.0258923   32  LEU A N    
396  C CA   . LEU A 32  ? 0.334369 0.412943 0.498294 -0.0249342  0.0176899   0.0274705   32  LEU A CA   
397  C C    . LEU A 32  ? 0.311008 0.429916 0.487051 -0.0290165  0.0170302   0.0347985   32  LEU A C    
398  O O    . LEU A 32  ? 0.316129 0.434882 0.47813  -0.0284944  0.0370902   0.0533147   32  LEU A O    
399  C CB   . LEU A 32  ? 0.349321 0.391229 0.557498 -0.0201623  0.0234202   0.0233467   32  LEU A CB   
400  C CG   . LEU A 32  ? 0.385948 0.425431 0.580856 -0.0246599  0.0599124   -0.00143805 32  LEU A CG   
401  C CD1  . LEU A 32  ? 0.437241 0.438066 0.66846  -0.00650125 0.0815701   -0.0325254  32  LEU A CD1  
402  C CD2  . LEU A 32  ? 0.400833 0.430069 0.577838 -0.0484435  0.0803654   -0.0261413  32  LEU A CD2  
403  H H    . LEU A 32  ? 0.376246 0.430301 0.482845 0.00193379  -0.0280787  0.0163835   32  LEU A H    
404  H HA   . LEU A 32  ? 0.361941 0.432591 0.465151 -0.00865714 -0.0188683  0.00653991  32  LEU A HA   
405  H HB2  . LEU A 32  ? 0.529848 0.634565 0.677011 0.00686584  -0.0302562  0.0260566   32  LEU A HB2  
406  H HB3  . LEU A 32  ? 0.52095  0.63696  0.668234 0.00163222  -0.0213015  0.0189087   32  LEU A HB3  
407  H HG   . LEU A 32  ? 0.37222  0.44134  0.508612 0.0219221   -0.0146529  0.00957099  32  LEU A HG   
408  H HD11 . LEU A 32  ? 0.376059 0.489005 0.558233 0.0387488   -0.0131057  0.0209528   32  LEU A HD11 
409  H HD12 . LEU A 32  ? 0.377363 0.47054  0.545616 0.0434928   0.00094493  0.00489593  32  LEU A HD12 
410  H HD13 . LEU A 32  ? 0.366191 0.492011 0.544384 0.031883    -0.0033883  0.0128053   32  LEU A HD13 
411  H HD21 . LEU A 32  ? 0.360078 0.420997 0.471812 0.00952211  -0.00558505 -0.00422707 32  LEU A HD21 
412  H HD22 . LEU A 32  ? 0.357436 0.445853 0.486746 0.0114787   -0.00110605 -0.00204811 32  LEU A HD22 
413  H HD23 . LEU A 32  ? 0.365853 0.433836 0.493822 0.0237516   0.00297389  -0.00816957 32  LEU A HD23 
414  N N    . THR A 33  ? 0.346212 0.433306 0.523864 -0.0587377  0.0294297   0.0535014   33  THR A N    
415  C CA   . THR A 33  ? 0.375848 0.463229 0.476422 -0.0369686  0.00235636  0.0453041   33  THR A CA   
416  C C    . THR A 33  ? 0.369376 0.445779 0.464308 -0.0748897  -0.00788379 0.0105605   33  THR A C    
417  O O    . THR A 33  ? 0.377888 0.401226 0.458902 -0.0853705  -0.00894827 0.0554769   33  THR A O    
418  C CB   . THR A 33  ? 0.407099 0.479382 0.502844 -0.0337972  -0.0395024  0.0644967   33  THR A CB   
419  O OG1  . THR A 33  ? 0.462444 0.434998 0.535211 -0.0275414  -0.0572026  0.106352    33  THR A OG1  
420  C CG2  . THR A 33  ? 0.432912 0.471477 0.532577 -0.0610035  -0.0936865  0.0845115   33  THR A CG2  
421  H H    . THR A 33  ? 0.387914 0.463819 0.484055 -0.0217204  -0.0468251  0.0295747   33  THR A H    
422  H HA   . THR A 33  ? 0.400291 0.498393 0.487313 -0.0511664  -0.0597753  0.0343182   33  THR A HA   
423  H HB   . THR A 33  ? 0.418988 0.48036  0.47493  -0.0446874  -0.0639482  0.0374049   33  THR A HB   
425  H HG21 . THR A 33  ? 0.54365  0.618725 0.578213 -0.0729505  -0.0886204  0.049899    33  THR A HG21 
426  H HG22 . THR A 33  ? 0.531744 0.620535 0.580954 -0.0775357  -0.0844432  0.0449365   33  THR A HG22 
427  H HG23 . THR A 33  ? 0.539461 0.589969 0.554999 -0.0749561  -0.0739284  0.0333503   33  THR A HG23 
428  N N    . ARG A 34  ? 0.318243 0.427214 0.407878 -0.084427   -0.00334363 -0.0132423  34  ARG A N    
429  C CA   . ARG A 34  ? 0.34848  0.443295 0.374565 -0.0706946  -0.0240597  0.0103495   34  ARG A CA   
430  C C    . ARG A 34  ? 0.297868 0.412822 0.413208 -0.0970538  0.0157012   0.0107903   34  ARG A C    
431  O O    . ARG A 34  ? 0.299672 0.441    0.416664 -0.0561171  0.0261411   0.00141574  34  ARG A O    
432  C CB   . ARG A 34  ? 0.337273 0.470046 0.396873 -0.0410931  -0.00594182 0.0283892   34  ARG A CB   
433  C CG   . ARG A 34  ? 0.424716 0.463935 0.44794  -0.00316725 -0.0041194  0.0313734   34  ARG A CG   
434  C CD   . ARG A 34  ? 0.543413 0.554808 0.457528 0.0169195   0.012754    0.0374123   34  ARG A CD   
435  N NE   . ARG A 34  ? 0.542712 0.742201 0.468281 0.0542685   0.0232985   0.032578    34  ARG A NE   
436  C CZ   . ARG A 34  ? 0.588605 0.813044 0.521593 0.0833373   0.00943873  0.014153    34  ARG A CZ   
437  N NH1  . ARG A 34  ? 0.753568 0.842502 0.589383 -0.026873   -0.0312644  0.0802524   34  ARG A NH1  
438  N NH2  . ARG A 34  ? 0.558437 0.84181  0.60286  0.0882151   -0.0479584  -0.0311013  34  ARG A NH2  
439  H H    . ARG A 34  ? 0.403541 0.435077 0.441677 -0.0398901  -0.04091    0.0153992   34  ARG A H    
440  H HA   . ARG A 34  ? 0.435119 0.431289 0.42165  -0.0603438  -0.0378169  0.00344055  34  ARG A HA   
441  H HB2  . ARG A 34  ? 0.419647 0.413261 0.416715 -0.0425392  -0.0288389  0.00460375  34  ARG A HB2  
442  H HB3  . ARG A 34  ? 0.396966 0.401005 0.417596 -0.0331171  -0.023096   0.00103143  34  ARG A HB3  
443  H HG2  . ARG A 34  ? 0.413593 0.388596 0.401748 -0.0337925  -0.0100616  -0.0081578  34  ARG A HG2  
444  H HG3  . ARG A 34  ? 0.41156  0.388942 0.403032 -0.0376631  -0.0124316  -0.010198   34  ARG A HG3  
445  H HD2  . ARG A 34  ? 0.453983 0.411147 0.405743 -0.0573923  -0.0216275  -0.0102932  34  ARG A HD2  
446  H HD3  . ARG A 34  ? 0.455485 0.414499 0.403998 -0.0535237  -0.0208432  -0.00649202 34  ARG A HD3  
447  H HE   . ARG A 34  ? 0.450564 0.388706 0.397939 -0.0395548  -0.00020151 -0.0198214  34  ARG A HE   
448  H HH11 . ARG A 34  ? 0.508945 0.42832  0.39938  -0.0635223  -0.0121309  -0.0168445  34  ARG A HH11 
449  H HH12 . ARG A 34  ? 0.501551 0.424751 0.39681  -0.053116   -0.00090315 -0.0156463  34  ARG A HH12 
450  H HH21 . ARG A 34  ? 0.473856 0.391247 0.399798 -0.0289748  0.0188442   -0.0267645  34  ARG A HH21 
451  H HH22 . ARG A 34  ? 0.501936 0.407422 0.399927 -0.0349176  0.0221546   -0.0285648  34  ARG A HH22 
452  N N    . PHE A 35  ? 0.25634  0.363147 0.407645 -0.0922966  0.0249467   0.0107583   35  PHE A N    
453  C CA   . PHE A 35  ? 0.308264 0.362107 0.387363 -0.0887946  0.00334456  -0.017456   35  PHE A CA   
454  C C    . PHE A 35  ? 0.307728 0.392873 0.39332  -0.104133   0.0141218   -0.00208955 35  PHE A C    
455  O O    . PHE A 35  ? 0.315518 0.395699 0.370913 -0.121859   0.0296695   0.0135908   35  PHE A O    
456  C CB   . PHE A 35  ? 0.274034 0.31078  0.433809 -0.0729653  0.00319611  -0.0246408  35  PHE A CB   
457  C CG   . PHE A 35  ? 0.29214  0.342238 0.385553 -0.0722819  -0.00302204 -0.0545071  35  PHE A CG   
458  C CD1  . PHE A 35  ? 0.292612 0.358796 0.368099 -0.090223   -0.00713118 -0.0484683  35  PHE A CD1  
459  C CD2  . PHE A 35  ? 0.288747 0.386968 0.401432 -0.0947559  -0.0102822  -0.0522348  35  PHE A CD2  
460  C CE1  . PHE A 35  ? 0.309885 0.388828 0.377949 -0.0906662  -0.00378874 -0.0365826  35  PHE A CE1  
461  C CE2  . PHE A 35  ? 0.253905 0.421711 0.429314 -0.103691   -0.00694123 -0.0442889  35  PHE A CE2  
462  C CZ   . PHE A 35  ? 0.307543 0.402994 0.384767 -0.0664464  -0.00935549 -0.0485917  35  PHE A CZ   
463  H H    . PHE A 35  ? 0.475038 0.505486 0.521351 -0.03428    -0.0240935  0.00160144  35  PHE A H    
464  H HA   . PHE A 35  ? 0.386006 0.396181 0.41361  -0.0384337  -0.0131681  -0.00779166 35  PHE A HA   
465  H HB2  . PHE A 35  ? 0.456097 0.491372 0.515489 -0.0226532  -0.00980909 -0.00703152 35  PHE A HB2  
466  H HB3  . PHE A 35  ? 0.458675 0.515579 0.53266  -0.0275448  -0.0162203  0.00038324  35  PHE A HB3  
467  H HD1  . PHE A 35  ? 0.506432 0.52995  0.550251 -0.0265503  -0.00170058 -0.0116313  35  PHE A HD1  
468  H HD2  . PHE A 35  ? 0.499796 0.589507 0.593417 -0.0331798  -0.0106632  0.00402131  35  PHE A HD2  
469  H HE1  . PHE A 35  ? 0.509847 0.542887 0.552742 -0.0305975  0.00436674  -0.00987907 35  PHE A HE1  
470  H HE2  . PHE A 35  ? 0.504854 0.608796 0.5996   -0.0381195  0.0015679   0.00322493  35  PHE A HE2  
471  H HZ   . PHE A 35  ? 0.51002  0.580479 0.573319 -0.0384803  0.00775607  -0.0034797  35  PHE A HZ   
472  N N    . LYS A 36  ? 0.294612 0.437226 0.410666 -0.0957252  0.0268138   0.00222321  36  LYS A N    
473  C CA   . LYS A 36  ? 0.330767 0.477276 0.461815 -0.128658   -0.00782784 -0.0128217  36  LYS A CA   
474  C C    . LYS A 36  ? 0.337962 0.468266 0.449167 -0.111768   -0.0140941  -0.00140681 36  LYS A C    
475  O O    . LYS A 36  ? 0.311362 0.462112 0.468029 -0.134744   -0.046638   -0.0197223  36  LYS A O    
476  C CB   . LYS A 36  ? 0.35547  0.484196 0.537028 -0.10346    -0.0253887  -0.0104517  36  LYS A CB   
477  C CG   . LYS A 36  ? 0.394056 0.581165 0.635    -0.188108   0.0320395   -0.0207856  36  LYS A CG   
478  C CD   . LYS A 36  ? 0.509803 0.746901 0.715709 -0.177255   0.0576544   -0.0253048  36  LYS A CD   
479  C CE   . LYS A 36  ? 0.578848 0.974021 0.777479 -0.262988   -0.00918673 -0.0479983  36  LYS A CE   
480  N NZ   . LYS A 36  ? 0.61766  1.04747  0.958306 -0.350773   0.0300666   -0.021332   36  LYS A NZ   
481  H H    . LYS A 36  ? 0.388661 0.451632 0.450057 -0.0533559  -0.0332014  0.0102625   36  LYS A H    
482  H HA   . LYS A 36  ? 0.402505 0.475352 0.461437 -0.077456   -0.0339688  0.0136213   36  LYS A HA   
483  H HB2  . LYS A 36  ? 0.388412 0.503588 0.485476 -0.0654428  -0.043144   0.0252073   36  LYS A HB2  
484  H HB3  . LYS A 36  ? 0.407787 0.497849 0.475694 -0.0758513  -0.0533156  0.0243367   36  LYS A HB3  
485  H HG2  . LYS A 36  ? 0.419126 0.553579 0.510032 -0.0990076  -0.0695557  0.0398988   36  LYS A HG2  
486  H HG3  . LYS A 36  ? 0.432095 0.533482 0.493903 -0.110251   -0.0627158  0.0299901   36  LYS A HG3  
487  H HD2  . LYS A 36  ? 0.407368 0.555427 0.513515 -0.102963   -0.0496811  0.0364938   36  LYS A HD2  
488  H HD3  . LYS A 36  ? 0.387364 0.553371 0.518402 -0.0787358  -0.045373   0.037556    36  LYS A HD3  
489  H HE2  . LYS A 36  ? 0.399092 0.613321 0.558472 -0.0947404  -0.0691429  0.058245    36  LYS A HE2  
490  H HE3  . LYS A 36  ? 0.423778 0.612762 0.548978 -0.122928   -0.0774993  0.0551659   36  LYS A HE3  
491  H HZ1  . LYS A 36  ? 0.389294 0.625183 0.565489 -0.0982556  -0.048589   0.0560546   36  LYS A HZ1  
492  H HZ2  . LYS A 36  ? 0.412199 0.638572 0.568613 -0.127121   -0.0629105  0.060156    36  LYS A HZ2  
493  H HZ3  . LYS A 36  ? 0.39831  0.666086 0.59276  -0.111987   -0.0662934  0.0700896   36  LYS A HZ3  
494  N N    . GLU A 37  ? 0.374143 0.483697 0.469727 -0.123005   -0.0204336  -0.0203077  37  GLU A N    
495  C CA   . GLU A 37  ? 0.424014 0.466775 0.471695 -0.12054    -0.0171311  -0.00954627 37  GLU A CA   
496  C C    . GLU A 37  ? 0.42379  0.437801 0.447843 -0.127254   -0.0261017  -0.0143276  37  GLU A C    
497  O O    . GLU A 37  ? 0.436633 0.412315 0.482402 -0.125924   -0.0381084  -0.0236251  37  GLU A O    
498  C CB   . GLU A 37  ? 0.488675 0.469673 0.493428 -0.126521   -0.0211943  0.0101061   37  GLU A CB   
499  C CG   . GLU A 37  ? 0.542966 0.512218 0.545166 -0.136201   -0.025548   0.026857    37  GLU A CG   
500  C CD   . GLU A 37  ? 0.542909 0.514179 0.572369 -0.150191   0.019845    0.0142679   37  GLU A CD   
501  O OE1  . GLU A 37  ? 0.489823 0.468012 0.541785 -0.150182   0.0124215   0.00378078  37  GLU A OE1  
502  O OE2  . GLU A 37  ? 0.539508 0.475776 0.52574  -0.139694   0.0590675   0.029172    37  GLU A OE2  
503  H H    . GLU A 37  ? 0.435861 0.458221 0.442314 -0.0820922  -0.0460864  0.00741858  37  GLU A H    
504  H HA   . GLU A 37  ? 0.494999 0.480714 0.451348 -0.119529   -0.0586515  0.0035709   37  GLU A HA   
505  H HB2  . GLU A 37  ? 0.475008 0.449155 0.427239 -0.088651   -0.0452924  -0.00215257 37  GLU A HB2  
506  H HB3  . GLU A 37  ? 0.516037 0.462302 0.431162 -0.108412   -0.0509676  -0.00721981 37  GLU A HB3  
507  H HG2  . GLU A 37  ? 0.511592 0.509748 0.455866 -0.126551   -0.0765607  0.0118501   37  GLU A HG2  
508  H HG3  . GLU A 37  ? 0.471317 0.49696  0.455659 -0.104476   -0.0690147  0.0167052   37  GLU A HG3  
509  N N    . VAL A 38  ? 0.368416 0.42857  0.445014 -0.129156   -0.0008369  0.00389526  38  VAL A N    
510  C CA   . VAL A 38  ? 0.393225 0.418618 0.438085 -0.13111    -0.0167006  0.00178006  38  VAL A CA   
511  C C    . VAL A 38  ? 0.390863 0.390624 0.446037 -0.120382   -0.00962661 -0.00102801 38  VAL A C    
512  O O    . VAL A 38  ? 0.41475  0.349005 0.417381 -0.113996   -0.00145016 0.0021182   38  VAL A O    
513  C CB   . VAL A 38  ? 0.36924  0.440047 0.481038 -0.107145   -0.016836   0.0275166   38  VAL A CB   
514  C CG1  . VAL A 38  ? 0.366756 0.424234 0.485781 -0.1003     -0.0509702  0.00372926  38  VAL A CG1  
515  C CG2  . VAL A 38  ? 0.293913 0.47277  0.510528 -0.0950158  -0.00048478 0.00777221  38  VAL A CG2  
516  H H    . VAL A 38  ? 0.450627 0.41749  0.420922 -0.073913   -0.0265585  -0.00915844 38  VAL A H    
517  H HA   . VAL A 38  ? 0.501999 0.40161  0.422147 -0.0775071  -0.0154667  -0.0218157  38  VAL A HA   
518  H HB   . VAL A 38  ? 0.432914 0.389597 0.410833 -0.0534789  -0.0104713  -0.0143478  38  VAL A HB   
519  H HG11 . VAL A 38  ? 0.479442 0.374922 0.41739  -0.0481046  0.00198185  -0.0228074  38  VAL A HG11 
520  H HG12 . VAL A 38  ? 0.451989 0.378341 0.415207 -0.0499033  -0.00213541 -0.0162027  38  VAL A HG12 
521  H HG13 . VAL A 38  ? 0.442949 0.369895 0.408523 -0.036458   0.00358478  -0.0197924  38  VAL A HG13 
522  H HG21 . VAL A 38  ? 0.440117 0.377759 0.402587 -0.0399305  -0.00098318 -0.0206965  38  VAL A HG21 
523  H HG22 . VAL A 38  ? 0.453826 0.393419 0.406514 -0.0550332  -0.0116858  -0.0182627  38  VAL A HG22 
524  H HG23 . VAL A 38  ? 0.477233 0.38509  0.407975 -0.050898   -0.00191382 -0.0253331  38  VAL A HG23 
525  N N    . THR A 39  ? 0.362991 0.404158 0.450189 -0.125652   0.00175947  0.00158273  39  THR A N    
526  C CA   . THR A 39  ? 0.380208 0.394379 0.429795 -0.113125   -0.0190556  0.0199905   39  THR A CA   
527  C C    . THR A 39  ? 0.385607 0.43886  0.443839 -0.133791   -0.0263301  0.0158729   39  THR A C    
528  O O    . THR A 39  ? 0.344948 0.401308 0.420851 -0.158027   -0.0475271  0.00661963  39  THR A O    
529  C CB   . THR A 39  ? 0.365824 0.388493 0.395753 -0.106401   -0.0131452  0.0470948   39  THR A CB   
530  O OG1  . THR A 39  ? 0.328134 0.374154 0.358167 -0.0971064  -0.00319082 0.0254625   39  THR A OG1  
531  C CG2  . THR A 39  ? 0.353164 0.346956 0.428738 -0.089331   -0.0105156  0.0556612   39  THR A CG2  
532  H H    . THR A 39  ? 0.444227 0.42317  0.43172  -0.0809819  -0.0229612  -0.00432752 39  THR A H    
533  H HA   . THR A 39  ? 0.47045  0.411617 0.437244 -0.0847111  -0.0138787  -0.00398861 39  THR A HA   
534  H HB   . THR A 39  ? 0.431639 0.429871 0.438284 -0.0792645  -0.00981504 0.00379882  39  THR A HB   
536  H HG21 . THR A 39  ? 0.401597 0.406142 0.419724 -0.0522677  -0.0031829  -0.00413971 39  THR A HG21 
537  H HG22 . THR A 39  ? 0.413106 0.398769 0.417818 -0.0547943  -0.00760648 -0.00723122 39  THR A HG22 
538  H HG23 . THR A 39  ? 0.426493 0.395549 0.420233 -0.0565     -0.00379466 -0.00555809 39  THR A HG23 
539  N N    . MET A 40  ? 0.398395 0.465233 0.431229 -0.148193   -0.0322891  0.0204559   40  MET A N    
540  C CA   . MET A 40  ? 0.409045 0.499952 0.490845 -0.172701   0.00561932  0.0468755   40  MET A CA   
541  C C    . MET A 40  ? 0.448897 0.481258 0.479131 -0.184941   -0.012055   0.0154788   40  MET A C    
542  O O    . MET A 40  ? 0.476562 0.490218 0.420192 -0.169899   -0.00332542 0.0165348   40  MET A O    
543  C CB   . MET A 40  ? 0.41904  0.541869 0.535285 -0.181574   -0.0224654  0.0273218   40  MET A CB   
544  C CG   . MET A 40  ? 0.445386 0.61265  0.598088 -0.231427   0.0366977   0.0880178   40  MET A CG   
545  S SD   . MET A 40  ? 0.503517 0.626255 0.795273 -0.133353   0.0744587   0.0566719   40  MET A SD   
546  C CE   . MET A 40  ? 0.358227 0.663539 0.855314 -0.176696   0.0399406   0.0629931   40  MET A CE   
547  H H    . MET A 40  ? 0.47627  0.459871 0.456076 -0.115001   -0.0371215  0.00378532  40  MET A H    
548  H HA   . MET A 40  ? 0.477397 0.509181 0.488313 -0.141671   -0.043014   0.0205841   40  MET A HA   
549  H HB2  . MET A 40  ? 0.486401 0.51572  0.485614 -0.144106   -0.0588273  0.0179462   40  MET A HB2  
550  H HB3  . MET A 40  ? 0.528901 0.505468 0.483962 -0.159436   -0.060531   0.00970365  40  MET A HB3  
551  H HG2  . MET A 40  ? 0.526996 0.57143  0.51996  -0.188087   -0.082046   0.0294577   40  MET A HG2  
552  H HG3  . MET A 40  ? 0.5471   0.557949 0.520523 -0.196661   -0.0741497  0.0255359   40  MET A HG3  
553  H HE1  . MET A 40  ? 0.435298 0.605686 0.543914 -0.145031   -0.0572955  0.0489361   40  MET A HE1  
554  H HE2  . MET A 40  ? 0.441454 0.561093 0.514398 -0.135078   -0.0561687  0.0358854   40  MET A HE2  
555  H HE3  . MET A 40  ? 0.453746 0.60476  0.540698 -0.15473    -0.0735454  0.0478875   40  MET A HE3  
556  N N    . GLY A 41  ? 0.480559 0.473053 0.48193  -0.194049   -0.0241239  0.0349401   41  GLY A N    
557  C CA   . GLY A 41  ? 0.503863 0.486684 0.520401 -0.208969   -0.0580588  0.0481214   41  GLY A CA   
558  C C    . GLY A 41  ? 0.553995 0.449883 0.531593 -0.195469   -0.069703   0.0414417   41  GLY A C    
559  O O    . GLY A 41  ? 0.590697 0.426152 0.583799 -0.224328   -0.0776226  0.0107092   41  GLY A O    
560  H H    . GLY A 41  ? 0.516453 0.533549 0.512431 -0.174651   -0.0464743  0.0289569   41  GLY A H    
561  H HA2  . GLY A 41  ? 0.580218 0.547468 0.537444 -0.212831   -0.0542556  0.0330021   41  GLY A HA2  
562  H HA3  . GLY A 41  ? 0.604477 0.519072 0.524823 -0.206018   -0.0560858  0.0189418   41  GLY A HA3  
563  N N    . HIS A 42  ? 0.507481 0.359772 0.516629 -0.200181   -0.044532   0.0239404   42  HIS A N    
564  C CA   . HIS A 42  ? 0.507486 0.377273 0.497387 -0.180901   -0.021066   0.0260041   42  HIS A CA   
565  C C    . HIS A 42  ? 0.426992 0.411293 0.487357 -0.194418   -0.00952521 0.0370099   42  HIS A C    
566  O O    . HIS A 42  ? 0.401259 0.479706 0.472824 -0.176664   -0.0266974  0.0344394   42  HIS A O    
567  C CB   . HIS A 42  ? 0.551358 0.405127 0.476258 -0.118651   0.0269757   -0.0170347  42  HIS A CB   
568  C CG   . HIS A 42  ? 0.62529  0.434352 0.509431 -0.101866   0.0431198   -0.0555655  42  HIS A CG   
569  N ND1  . HIS A 42  ? 0.685455 0.448642 0.529352 -0.117428   0.0633031   -0.0767021  42  HIS A ND1  
570  C CD2  . HIS A 42  ? 0.631385 0.431567 0.520604 -0.0888708  0.0592008   -0.0832915  42  HIS A CD2  
571  C CE1  . HIS A 42  ? 0.714031 0.44601  0.521948 -0.105885   0.0634028   -0.103072   42  HIS A CE1  
572  N NE2  . HIS A 42  ? 0.668934 0.501766 0.489652 -0.0977451  0.0790162   -0.107329   42  HIS A NE2  
573  H H    . HIS A 42  ? 0.528404 0.4755   0.487951 -0.148206   -0.0282329  0.0180339   42  HIS A H    
574  H HA   . HIS A 42  ? 0.59257  0.458983 0.50595  -0.157137   -0.0229159  0.0223247   42  HIS A HA   
575  H HB2  . HIS A 42  ? 0.525502 0.427519 0.466636 -0.112199   -0.0139844  0.00890362  42  HIS A HB2  
576  H HB3  . HIS A 42  ? 0.557147 0.421087 0.478189 -0.113042   -0.0109169  0.0132463   42  HIS A HB3  
578  H HD2  . HIS A 42  ? 0.556091 0.417355 0.464142 -0.115085   -0.0198848  -0.00691163 42  HIS A HD2  
579  H HE1  . HIS A 42  ? 0.698028 0.410376 0.515148 -0.139026   -0.0179492  -0.0151134  42  HIS A HE1  
581  N N    . THR A 43  ? 0.447506 0.4423   0.479548 -0.189009   0.00271856  0.0267374   43  THR A N    
582  C CA   . THR A 43  ? 0.41805  0.483224 0.451637 -0.157196   -0.00873881 0.0451056   43  THR A CA   
583  C C    . THR A 43  ? 0.391175 0.457091 0.441467 -0.148325   -0.0375855  0.013212    43  THR A C    
584  O O    . THR A 43  ? 0.418109 0.454813 0.431597 -0.167131   -0.0478368  0.0260452   43  THR A O    
585  C CB   . THR A 43  ? 0.475558 0.501789 0.467804 -0.146297   -0.00769465 0.0467002   43  THR A CB   
586  O OG1  . THR A 43  ? 0.534142 0.501375 0.505145 -0.159827   -0.049186   0.0342508   43  THR A OG1  
587  C CG2  . THR A 43  ? 0.497914 0.543304 0.44716  -0.117778   0.00308504  0.0488498   43  THR A CG2  
588  H H    . THR A 43  ? 0.572161 0.450444 0.49676  -0.134089   -0.0104509  0.0321509   43  THR A H    
589  H HA   . THR A 43  ? 0.520078 0.489003 0.487948 -0.13301    -0.00129627 0.0414183   43  THR A HA   
590  H HB   . THR A 43  ? 0.55302  0.447187 0.484243 -0.108603   -0.00090356 0.041678    43  THR A HB   
592  H HG21 . THR A 43  ? 0.559511 0.484347 0.490419 -0.120295   0.00457709  0.059276    43  THR A HG21 
593  H HG22 . THR A 43  ? 0.541011 0.505607 0.492297 -0.133322   0.00685167  0.0567399   43  THR A HG22 
594  H HG23 . THR A 43  ? 0.518369 0.480139 0.472339 -0.108228   0.00764897  0.0469519   43  THR A HG23 
595  N N    . VAL A 44  ? 0.347126 0.433245 0.459036 -0.161398   -0.0130272  0.0244578   44  VAL A N    
596  C CA   . VAL A 44  ? 0.36257  0.409617 0.446133 -0.122417   0.010774    0.0205267   44  VAL A CA   
597  C C    . VAL A 44  ? 0.371628 0.436303 0.446083 -0.107004   0.0111251   0.0338524   44  VAL A C    
598  O O    . VAL A 44  ? 0.378712 0.495132 0.446596 -0.077799   0.0262483   0.0349548   44  VAL A O    
599  C CB   . VAL A 44  ? 0.344312 0.353513 0.456732 -0.144226   0.00988174  -0.00372066 44  VAL A CB   
600  C CG1  . VAL A 44  ? 0.37473  0.369158 0.432533 -0.129211   0.04447     0.0719383   44  VAL A CG1  
601  C CG2  . VAL A 44  ? 0.389568 0.376513 0.483408 -0.124728   0.013616    -0.0460567  44  VAL A CG2  
602  H H    . VAL A 44  ? 0.472212 0.487192 0.465436 -0.106097   0.00821051  0.0331997   44  VAL A H    
603  H HA   . VAL A 44  ? 0.446542 0.438931 0.437104 -0.071518   0.00718942  0.017399    44  VAL A HA   
604  H HB   . VAL A 44  ? 0.535159 0.5781   0.557681 -0.0633712  0.0122478   0.00988683  44  VAL A HB   
605  H HG11 . VAL A 44  ? 0.44194  0.459489 0.452627 -0.0917949  -0.00081087 0.0169439   44  VAL A HG11 
606  H HG12 . VAL A 44  ? 0.4292   0.433139 0.436061 -0.0724378  0.00138886  0.00899444  44  VAL A HG12 
607  H HG13 . VAL A 44  ? 0.414202 0.456056 0.444626 -0.0761529  0.00152591  0.0109246   44  VAL A HG13 
608  H HG21 . VAL A 44  ? 0.408286 0.499005 0.459665 -0.0786292  0.0142866   0.0177841   44  VAL A HG21 
609  H HG22 . VAL A 44  ? 0.419174 0.503976 0.455008 -0.0787375  0.0213902   0.0199452   44  VAL A HG22 
610  H HG23 . VAL A 44  ? 0.432886 0.505927 0.46603  -0.0960175  0.0124696   0.0262269   44  VAL A HG23 
611  N N    . ILE A 45  ? 0.358994 0.388166 0.425287 -0.110753   0.017111    0.0408182   45  ILE A N    
612  C CA   . ILE A 45  ? 0.413276 0.393389 0.409564 -0.108048   0.0123619   0.0271508   45  ILE A CA   
613  C C    . ILE A 45  ? 0.371308 0.40286  0.372173 -0.112659   0.0151968   0.031831    45  ILE A C    
614  O O    . ILE A 45  ? 0.374772 0.379967 0.328771 -0.0949676  0.0179388   0.0648132   45  ILE A O    
615  C CB   . ILE A 45  ? 0.473402 0.385965 0.420872 -0.102295   -0.0255472  0.0371739   45  ILE A CB   
616  C CG1  . ILE A 45  ? 0.527565 0.366687 0.429853 -0.119059   0.00729952  0.062474    45  ILE A CG1  
617  C CG2  . ILE A 45  ? 0.491686 0.427936 0.412455 -0.0657169  -0.0253787  0.0543652   45  ILE A CG2  
618  C CD1  . ILE A 45  ? 0.526096 0.388774 0.450113 -0.116884   -0.0417642  0.0721189   45  ILE A CD1  
619  H H    . ILE A 45  ? 0.443222 0.438934 0.427511 -0.0576287  0.0105494   0.0187115   45  ILE A H    
620  H HA   . ILE A 45  ? 0.461288 0.486298 0.432309 -0.0688267  0.0194659   0.0294666   45  ILE A HA   
621  H HB   . ILE A 45  ? 0.464465 0.443102 0.429269 -0.048923   0.00688567  0.0295321   45  ILE A HB   
622  H HG12 . ILE A 45  ? 0.508982 0.478849 0.451309 -0.0778882  0.00985393  0.0496923   45  ILE A HG12 
623  H HG13 . ILE A 45  ? 0.495395 0.455139 0.448938 -0.0733807  0.00786302  0.0396857   45  ILE A HG13 
624  H HG21 . ILE A 45  ? 0.493415 0.472336 0.435741 -0.0511515  0.00299962  0.0460198   45  ILE A HG21 
625  H HG22 . ILE A 45  ? 0.489662 0.493483 0.431051 -0.0624802  0.0114038   0.0422974   45  ILE A HG22 
626  H HG23 . ILE A 45  ? 0.467706 0.473304 0.421465 -0.0482124  0.00766521  0.0318785   45  ILE A HG23 
627  H HD11 . ILE A 45  ? 0.512596 0.434157 0.455791 -0.051361   0.00169583  0.0447382   45  ILE A HD11 
628  H HD12 . ILE A 45  ? 0.542295 0.449567 0.470165 -0.0690945  0.00168377  0.0558117   45  ILE A HD12 
629  H HD13 . ILE A 45  ? 0.527393 0.458045 0.459388 -0.0574165  0.0005529   0.0569552   45  ILE A HD13 
630  N N    . MET A 46  ? 0.385309 0.431576 0.354219 -0.119668   0.0631944   0.025089    46  MET A N    
631  C CA   . MET A 46  ? 0.372189 0.440567 0.354441 -0.114799   0.0569752   0.0242061   46  MET A CA   
632  C C    . MET A 46  ? 0.388966 0.516834 0.408693 -0.106177   0.0213202   -0.00356812 46  MET A C    
633  O O    . MET A 46  ? 0.413231 0.581451 0.394485 -0.124221   0.00605784  0.0298843   46  MET A O    
634  C CB   . MET A 46  ? 0.343568 0.449319 0.353249 -0.119704   0.0520816   -0.0155314  46  MET A CB   
635  C CG   . MET A 46  ? 0.359054 0.500565 0.433745 -0.102889   0.0574022   -0.00178886 46  MET A CG   
636  S SD   . MET A 46  ? 0.346273 0.538902 0.410921 -0.0870473  0.0360863   -0.0202168  46  MET A SD   
637  C CE   . MET A 46  ? 0.260628 0.500698 0.425473 -0.0531277  0.0278738   -0.0122618  46  MET A CE   
638  H H    . MET A 46  ? 0.449586 0.505317 0.421436 -0.0584706  0.0281182   0.0173537   46  MET A H    
639  H HA   . MET A 46  ? 0.423361 0.472462 0.40575  -0.0375306  0.0212165   -0.00113787 46  MET A HA   
640  H HB2  . MET A 46  ? 0.41555  0.489726 0.414333 -0.0320512  0.035448    -0.0146916  46  MET A HB2  
641  H HB3  . MET A 46  ? 0.409508 0.482617 0.418451 -0.0390641  0.0317423   -0.00497838 46  MET A HB3  
642  H HG2  . MET A 46  ? 0.437677 0.534871 0.430276 -0.0522031  0.0459842   0.00313773  46  MET A HG2  
643  H HG3  . MET A 46  ? 0.43924  0.539572 0.427343 -0.0408804  0.0518986   -0.010688   46  MET A HG3  
644  H HE1  . MET A 46  ? 0.529404 0.664577 0.584209 -0.0542746  0.0449362   0.00742752  46  MET A HE1  
645  H HE2  . MET A 46  ? 0.53447  0.634625 0.564708 -0.0542312  0.0365926   0.00636812  46  MET A HE2  
646  H HE3  . MET A 46  ? 0.548712 0.673067 0.577642 -0.0627569  0.0476596   0.0122725   46  MET A HE3  
647  N N    . GLY A 47  ? 0.368079 0.529858 0.440609 -0.0828891  0.0216516   -0.0351721  47  GLY A N    
648  C CA   . GLY A 47  ? 0.397575 0.579572 0.423299 -0.105439   0.00674931  -0.0157272  47  GLY A CA   
649  C C    . GLY A 47  ? 0.426639 0.533508 0.400314 -0.0876979  0.0201695   -0.0507177  47  GLY A C    
650  O O    . GLY A 47  ? 0.410769 0.544993 0.424822 -0.0909625  0.0164684   -0.0326858  47  GLY A O    
651  H H    . GLY A 47  ? 0.439067 0.494541 0.401055 -0.035471   0.0226693   -0.0115816  47  GLY A H    
652  H HA2  . GLY A 47  ? 0.486358 0.549416 0.401905 -0.0496462  0.0260652   -0.00389538 47  GLY A HA2  
653  H HA3  . GLY A 47  ? 0.473942 0.532972 0.399583 -0.0416067  0.0245439   -0.0186233  47  GLY A HA3  
654  N N    . ARG A 48  ? 0.436032 0.580204 0.380603 -0.115334   0.0179996   -0.0545433  48  ARG A N    
655  C CA   . ARG A 48  ? 0.415033 0.679243 0.400399 -0.138647   0.0330899   -0.0827623  48  ARG A CA   
656  C C    . ARG A 48  ? 0.432495 0.671233 0.383275 -0.126199   0.0565593   -0.108897   48  ARG A C    
657  O O    . ARG A 48  ? 0.418805 0.723741 0.368789 -0.128379   0.0510149   -0.162452   48  ARG A O    
658  C CB   . ARG A 48  ? 0.433939 0.741418 0.390948 -0.146328   -0.00080602 -0.0835857  48  ARG A CB   
659  C CG   . ARG A 48  ? 0.465437 0.790205 0.431211 -0.145465   0.00888871  -0.121777   48  ARG A CG   
660  C CD   . ARG A 48  ? 0.526437 0.787637 0.507013 -0.126435   0.0323996   -0.120964   48  ARG A CD   
661  N NE   . ARG A 48  ? 0.618252 0.775266 0.584805 -0.174769   -0.0074705  -0.18469    48  ARG A NE   
662  C CZ   . ARG A 48  ? 0.685244 0.799088 0.60523  -0.15471    -0.0188865  -0.187149   48  ARG A CZ   
663  N NH1  . ARG A 48  ? 0.731466 0.792659 0.654821 -0.096409   0.0362849   -0.169067   48  ARG A NH1  
664  N NH2  . ARG A 48  ? 0.757968 0.835189 0.538391 -0.198631   -0.0471984  -0.212891   48  ARG A NH2  
665  H H    . ARG A 48  ? 0.524595 0.600428 0.405861 -0.0541294  0.0446398   -0.0198896  48  ARG A H    
666  H HA   . ARG A 48  ? 0.518994 0.627229 0.427614 -0.0479666  0.0758916   -0.025775   48  ARG A HA   
667  H HB2  . ARG A 48  ? 0.566249 0.664541 0.416852 -0.0647581  0.0691358   -0.0178264  48  ARG A HB2  
668  H HB3  . ARG A 48  ? 0.578112 0.663835 0.415041 -0.0581169  0.0693833   -0.037635   48  ARG A HB3  
669  H HG2  . ARG A 48  ? 0.571793 0.701647 0.442969 -0.0524297  0.105136    -0.0343588  48  ARG A HG2  
670  H HG3  . ARG A 48  ? 0.608805 0.728626 0.433159 -0.0650358  0.10124     -0.0317775  48  ARG A HG3  
671  H HD2  . ARG A 48  ? 0.591968 0.690699 0.44401  -0.0369022  0.106573    -0.0661081  48  ARG A HD2  
672  H HD3  . ARG A 48  ? 0.624892 0.742729 0.454198 -0.0422665  0.126749    -0.0652875  48  ARG A HD3  
673  H HE   . ARG A 48  ? 0.644773 0.730357 0.423107 -0.0639222  0.0907743   -0.0561546  48  ARG A HE   
674  H HH11 . ARG A 48  ? 0.645568 0.714842 0.456663 -0.0285347  0.119913    -0.0980656  48  ARG A HH11 
675  H HH12 . ARG A 48  ? 0.691645 0.732802 0.455021 -0.0353355  0.117578    -0.114899   48  ARG A HH12 
676  H HH21 . ARG A 48  ? 0.700236 0.755131 0.418115 -0.0735936  0.0805629   -0.0766031  48  ARG A HH21 
677  H HH22 . ARG A 48  ? 0.724337 0.759818 0.430413 -0.0647618  0.0931248   -0.102391   48  ARG A HH22 
678  N N    . ARG A 49  ? 0.427908 0.64242  0.427519 -0.123877   0.0472219   -0.105269   49  ARG A N    
679  C CA   . ARG A 49  ? 0.474979 0.662043 0.471885 -0.115383   0.0756758   -0.0799072  49  ARG A CA   
680  C C    . ARG A 49  ? 0.44025  0.617345 0.49532  -0.110692   0.0609547   -0.0843767  49  ARG A C    
681  O O    . ARG A 49  ? 0.41093  0.634624 0.535941 -0.0829573  0.0801418   -0.0529664  49  ARG A O    
682  C CB   . ARG A 49  ? 0.510419 0.652092 0.482859 -0.134979   0.0631433   -0.0766235  49  ARG A CB   
683  C CG   . ARG A 49  ? 0.575696 0.753249 0.556164 -0.116097   0.0227745   -0.0362267  49  ARG A CG   
684  C CD   . ARG A 49  ? 0.634969 0.76662  0.584578 -0.125992   0.0428336   -0.0220638  49  ARG A CD   
685  N NE   . ARG A 49  ? 0.701342 0.879283 0.635635 -0.115589   -0.0235421  0.00459819  49  ARG A NE   
686  C CZ   . ARG A 49  ? 0.735003 0.982741 0.703573 -0.104019   -0.0625514  0.0371946   49  ARG A CZ   
687  N NH1  . ARG A 49  ? 0.713529 0.982694 0.796785 -0.132419   -0.116124   0.0641735   49  ARG A NH1  
688  N NH2  . ARG A 49  ? 0.841606 1.02438  0.706535 -0.129223   -0.0738481  0.0617921   49  ARG A NH2  
689  H H    . ARG A 49  ? 0.527885 0.591896 0.415561 -0.0373528  0.0570336   -0.0546657  49  ARG A H    
690  H HA   . ARG A 49  ? 0.55308  0.618176 0.446994 -0.0165518  0.0897381   -0.0820966  49  ARG A HA   
691  H HB2  . ARG A 49  ? 0.52903  0.563056 0.424174 -0.0265423  0.052085    -0.0775356  49  ARG A HB2  
692  H HB3  . ARG A 49  ? 0.553312 0.578351 0.443254 -0.0156249  0.0698104   -0.0949228  49  ARG A HB3  
693  H HG2  . ARG A 49  ? 0.607525 0.638304 0.437216 -0.0319724  0.0783252   -0.0979326  49  ARG A HG2  
694  H HG3  . ARG A 49  ? 0.582371 0.617987 0.419435 -0.0427429  0.0555725   -0.0798236  49  ARG A HG3  
695  H HD2  . ARG A 49  ? 0.584631 0.587421 0.426584 -0.0410211  0.0415346   -0.0962722  49  ARG A HD2  
696  H HD3  . ARG A 49  ? 0.616264 0.606574 0.444277 -0.0309485  0.0630139   -0.115054   49  ARG A HD3  
697  H HE   . ARG A 49  ? 0.668354 0.664647 0.433216 -0.0521145  0.0620422   -0.114251   49  ARG A HE   
698  H HH11 . ARG A 49  ? 0.615172 0.60141  0.424865 -0.061407   0.0178534   -0.0998641  49  ARG A HH11 
699  H HH12 . ARG A 49  ? 0.640765 0.631581 0.420256 -0.0787738  0.00217914  -0.0941034  49  ARG A HH12 
700  H HH21 . ARG A 49  ? 0.696892 0.700883 0.416639 -0.0788069  0.037526    -0.0987946  49  ARG A HH21 
701  H HH22 . ARG A 49  ? 0.692789 0.691242 0.41464  -0.0895102  0.0123923   -0.0938891  49  ARG A HH22 
702  N N    . THR A 50  ? 0.440546 0.567775 0.463442 -0.15099    0.0733104   -0.0774942  50  THR A N    
703  C CA   . THR A 50  ? 0.405267 0.554511 0.484127 -0.0999023  0.0477969   -0.0798687  50  THR A CA   
704  C C    . THR A 50  ? 0.382942 0.603317 0.511316 -0.0548532  0.0444574   -0.0673292  50  THR A C    
705  O O    . THR A 50  ? 0.37997  0.557164 0.485082 -0.0326384  0.0329086   -0.0762325  50  THR A O    
706  C CB   . THR A 50  ? 0.381261 0.545941 0.436072 -0.080425   0.034575    -0.0458607  50  THR A CB   
707  O OG1  . THR A 50  ? 0.369726 0.475441 0.426192 -0.080593   0.0232117   -0.0398541  50  THR A OG1  
708  C CG2  . THR A 50  ? 0.37527  0.507556 0.459543 -0.0637684  0.00021444  -0.0928919  50  THR A CG2  
709  H H    . THR A 50  ? 0.473615 0.538455 0.421264 -0.0214458  0.0535178   -0.052807   50  THR A H    
710  H HA   . THR A 50  ? 0.448063 0.511066 0.441319 -0.00138556 0.0583584   -0.0606108  50  THR A HA   
711  H HB   . THR A 50  ? 0.431235 0.503447 0.417448 -0.0208981  0.0439272   -0.0358437  50  THR A HB   
713  H HG21 . THR A 50  ? 0.397517 0.465881 0.418628 -0.0147428  0.0349318   -0.0311557  50  THR A HG21 
714  H HG22 . THR A 50  ? 0.403382 0.476992 0.433437 -0.00460272 0.0439676   -0.0409289  50  THR A HG22 
715  H HG23 . THR A 50  ? 0.406333 0.495809 0.433013 -0.0138504  0.0476496   -0.0317401  50  THR A HG23 
716  N N    . TRP A 51  ? 0.369521 0.63543  0.483486 -0.0682105  0.0636742   -0.0965566  51  TRP A N    
717  C CA   . TRP A 51  ? 0.353263 0.673562 0.460294 -0.0758188  0.0633046   -0.122468   51  TRP A CA   
718  C C    . TRP A 51  ? 0.397933 0.705586 0.501912 -0.0459909  0.0648614   -0.144182   51  TRP A C    
719  O O    . TRP A 51  ? 0.451995 0.750321 0.494566 -0.0386344  0.0200203   -0.142121   51  TRP A O    
720  C CB   . TRP A 51  ? 0.346729 0.686697 0.432925 -0.058499   0.0578953   -0.140983   51  TRP A CB   
721  C CG   . TRP A 51  ? 0.364581 0.783555 0.459867 -0.0681608  0.133882    -0.110922   51  TRP A CG   
722  C CD1  . TRP A 51  ? 0.419484 0.858582 0.499558 -0.0415151  0.137501    -0.135641   51  TRP A CD1  
723  C CD2  . TRP A 51  ? 0.352041 0.796987 0.481568 -0.05725    0.124865    -0.108249   51  TRP A CD2  
724  N NE1  . TRP A 51  ? 0.417299 0.919648 0.487433 -0.0539564  0.217516    -0.140823   51  TRP A NE1  
725  C CE2  . TRP A 51  ? 0.399233 0.872239 0.502131 -0.0686823  0.155096    -0.110608   51  TRP A CE2  
726  C CE3  . TRP A 51  ? 0.306938 0.746318 0.447506 -0.0206033  0.127581    -0.0749508  51  TRP A CE3  
727  C CZ2  . TRP A 51  ? 0.330215 0.902116 0.528068 -0.0590585  0.192564    -0.0735874  51  TRP A CZ2  
728  C CZ3  . TRP A 51  ? 0.368504 0.799631 0.448623 -0.0740802  0.126955    -0.0772759  51  TRP A CZ3  
729  C CH2  . TRP A 51  ? 0.352918 0.842023 0.549608 -0.0648758  0.119769    -0.0767441  51  TRP A CH2  
730  H H    . TRP A 51  ? 0.457657 0.562085 0.439018 -0.0211314  0.0702027   -0.0385814  51  TRP A H    
731  H HA   . TRP A 51  ? 0.435037 0.582903 0.47021  -0.0158278  0.0813971   -0.0283819  51  TRP A HA   
732  H HB2  . TRP A 51  ? 0.459159 0.602687 0.45504  -0.0367692  0.0810811   -0.0176298  51  TRP A HB2  
733  H HB3  . TRP A 51  ? 0.484357 0.625771 0.457948 -0.0294193  0.0937196   -0.03176    51  TRP A HB3  
734  H HD1  . TRP A 51  ? 0.515013 0.705965 0.49886  -0.0208448  0.13244     -0.0373937  51  TRP A HD1  
735  H HE1  . TRP A 51  ? 0.509897 0.768874 0.540568 -0.0255519  0.153546    -0.0193402  51  TRP A HE1  
736  H HE3  . TRP A 51  ? 0.433203 0.615265 0.48213  -0.0471077  0.0788519   0.00139267  51  TRP A HE3  
737  H HZ2  . TRP A 51  ? 0.472962 0.783667 0.567724 -0.0471807  0.140361    0.0123879   51  TRP A HZ2  
738  H HZ3  . TRP A 51  ? 0.428159 0.655717 0.515048 -0.0655889  0.0798083   0.0207915   51  TRP A HZ3  
739  H HH2  . TRP A 51  ? 0.4433   0.740225 0.558865 -0.0678087  0.107498    0.0290013   51  TRP A HH2  
740  N N    . GLU A 52  ? 0.417618 0.702654 0.558691 -0.0504479  0.0801999   -0.174236   52  GLU A N    
741  C CA   . GLU A 52  ? 0.490372 0.72305  0.545887 -0.020006   0.104027    -0.175105   52  GLU A CA   
742  C C    . GLU A 52  ? 0.509809 0.704847 0.563024 0.027787    0.0711806   -0.162654   52  GLU A C    
743  O O    . GLU A 52  ? 0.540333 0.746221 0.647239 0.0637692   0.113301    -0.186262   52  GLU A O    
744  C CB   . GLU A 52  ? 0.524138 0.722685 0.532433 -0.0269989  0.11238     -0.209647   52  GLU A CB   
745  C CG   . GLU A 52  ? 0.546872 0.761597 0.501891 -0.00645596 0.102757    -0.197502   52  GLU A CG   
746  C CD   . GLU A 52  ? 0.619823 0.840046 0.53562  -0.00078782 0.0664245   -0.177011   52  GLU A CD   
747  O OE1  . GLU A 52  ? 0.65761  0.851056 0.565779 0.00833719  0.0398945   -0.221899   52  GLU A OE1  
748  O OE2  . GLU A 52  ? 0.677999 0.900177 0.50327  0.0410174   0.0487284   -0.167477   52  GLU A OE2  
749  H H    . GLU A 52  ? 0.498939 0.619528 0.474213 -0.00234699 0.104617    -0.0615215  52  GLU A H    
750  H HA   . GLU A 52  ? 0.517925 0.679013 0.530187 0.0243998   0.141165    -0.0704281  52  GLU A HA   
751  H HB2  . GLU A 52  ? 0.553775 0.648361 0.490454 0.00995705  0.123215    -0.0897937  52  GLU A HB2  
752  H HB3  . GLU A 52  ? 0.575979 0.680975 0.523979 0.0286383   0.147362    -0.100922   52  GLU A HB3  
753  H HG2  . GLU A 52  ? 0.575256 0.73374  0.524537 0.0125652   0.161865    -0.0812378  52  GLU A HG2  
754  H HG3  . GLU A 52  ? 0.556369 0.697886 0.491826 -0.00516381 0.136945    -0.0704148  52  GLU A HG3  
755  N N    A SER A 53  ? 0.495651 0.64753  0.516947 0.00414453  0.0486584   -0.138961   53  SER A N    
756  N N    B SER A 53  ? 0.488156 0.65539  0.529625 0.00618202  0.0478896   -0.152557   53  SER A N    
757  C CA   A SER A 53  ? 0.516245 0.597739 0.568506 -0.0107844  0.0133537   -0.129151   53  SER A CA   
758  C CA   B SER A 53  ? 0.502738 0.605272 0.580561 -0.00552899 0.0119869   -0.151309   53  SER A CA   
759  C C    A SER A 53  ? 0.499616 0.587896 0.581059 0.00529245  0.00421322  -0.104751   53  SER A C    
760  C C    B SER A 53  ? 0.487168 0.580327 0.574689 0.0161076   0.00563147  -0.124364   53  SER A C    
761  O O    A SER A 53  ? 0.552807 0.565141 0.628503 0.00510051  0.00856222  -0.104958   53  SER A O    
762  O O    B SER A 53  ? 0.527984 0.526524 0.588324 0.0284741   0.0160794   -0.146058   53  SER A O    
763  C CB   A SER A 53  ? 0.506939 0.563363 0.493127 -0.0267133  -0.00244393 -0.12067    53  SER A CB   
764  C CB   B SER A 53  ? 0.489256 0.595715 0.53778  -0.0266067  -0.00644319 -0.158347   53  SER A CB   
765  O OG   A SER A 53  ? 0.535845 0.525616 0.488409 -0.0258562  -0.00739708 -0.136098   53  SER A OG   
766  O OG   B SER A 53  ? 0.525627 0.620262 0.546897 -0.047278   -0.0143432  -0.195054   53  SER A OG   
767  H H    A SER A 53  ? 0.487816 0.578384 0.489617 0.0204799   0.0979249   -0.075968   53  SER A H    
768  H H    B SER A 53  ? 0.486484 0.577391 0.489973 0.0208274   0.0976047   -0.0755977  53  SER A H    
769  H HA   A SER A 53  ? 0.508557 0.574337 0.533753 0.0515875   0.108609    -0.0925118  53  SER A HA   
770  H HA   B SER A 53  ? 0.509098 0.577187 0.536865 0.0532281   0.110232    -0.0924194  53  SER A HA   
771  H HB2  A SER A 53  ? 0.48349  0.529633 0.484355 0.0248208   0.0795289   -0.0844015  53  SER A HB2  
772  H HB2  B SER A 53  ? 0.454576 0.519466 0.483319 0.0254516   0.0743237   -0.0713921  53  SER A HB2  
773  H HB3  A SER A 53  ? 0.449664 0.51942  0.483668 0.0254242   0.0739088   -0.0687903  53  SER A HB3  
774  H HB3  B SER A 53  ? 0.472791 0.517023 0.506289 0.0401595   0.0791683   -0.0819766  53  SER A HB3  
777  N N    . LEU A 54  ? 0.456881 0.609157 0.577892 -0.00503144 -0.0129364  -0.0969631  54  LEU A N    
778  C CA   . LEU A 54  ? 0.497164 0.659579 0.585478 -0.0240927  -0.018772   -0.0833835  54  LEU A CA   
779  C C    . LEU A 54  ? 0.480787 0.689526 0.64076  0.00461977  0.00347956  -0.106588   54  LEU A C    
780  O O    . LEU A 54  ? 0.502596 0.707555 0.598732 -0.00992842 -0.0222377  -0.15041    54  LEU A O    
781  C CB   . LEU A 54  ? 0.464013 0.632082 0.53381  -0.0264566  -0.0110067  -0.054767   54  LEU A CB   
782  C CG   . LEU A 54  ? 0.35529  0.662705 0.486559 -0.042636   -0.0190326  -0.0230927  54  LEU A CG   
783  C CD1  . LEU A 54  ? 0.366128 0.675413 0.509212 -0.03316    0.00351566  -0.0686789  54  LEU A CD1  
784  C CD2  . LEU A 54  ? 0.43341  0.654465 0.514958 -0.042877   -0.072438   0.0214203   54  LEU A CD2  
785  H H    A LEU A 54  ? 0.441397 0.575954 0.512729 0.0286794   0.0936588   -0.0538255  54  LEU A H    
786  H H    B LEU A 54  ? 0.44246  0.578019 0.513848 0.0290649   0.0946556   -0.054076   54  LEU A H    
787  H HA   . LEU A 54  ? 0.414928 0.566273 0.544629 0.0455963   0.0827217   -0.0410261  54  LEU A HA   
788  H HB2  . LEU A 54  ? 0.415169 0.612985 0.537568 0.0203655   0.0941032   -0.0286675  54  LEU A HB2  
789  H HB3  . LEU A 54  ? 0.396518 0.599057 0.547064 0.0246242   0.0808161   -0.0206707  54  LEU A HB3  
790  H HG   . LEU A 54  ? 0.405023 0.545742 0.489499 0.00926503  0.0706587   -0.033965   54  LEU A HG   
791  H HD11 . LEU A 54  ? 0.404119 0.585789 0.499391 -0.00982463 0.075977    -0.0165988  54  LEU A HD11 
792  H HD12 . LEU A 54  ? 0.3894   0.545103 0.479599 -0.0153741  0.0578448   -0.0138881  54  LEU A HD12 
793  H HD13 . LEU A 54  ? 0.386573 0.579176 0.509933 -0.00999031 0.0649165   -0.00831182 54  LEU A HD13 
794  H HD21 . LEU A 54  ? 0.38634  0.51835  0.500092 0.0206827   0.0563685   -0.0302145  54  LEU A HD21 
795  H HD22 . LEU A 54  ? 0.375024 0.535534 0.50695  0.00971911  0.0518624   -0.0165118  54  LEU A HD22 
796  H HD23 . LEU A 54  ? 0.377302 0.505847 0.477386 0.00287098  0.0473178   -0.0229772  54  LEU A HD23 
797  N N    . PRO A 55  ? 0.566707 0.718296 0.689293 -0.00384776 -0.00589278 -0.0878858  55  PRO A N    
798  C CA   . PRO A 55  ? 0.588472 0.756457 0.779119 0.0252287   -0.0380271  -0.100465   55  PRO A CA   
799  C C    . PRO A 55  ? 0.554773 0.801634 0.797722 0.0068169   -0.0139859  -0.0880157  55  PRO A C    
800  O O    . PRO A 55  ? 0.547058 0.807224 0.786241 -0.0153133  -0.0340615  -0.0875736  55  PRO A O    
801  C CB   . PRO A 55  ? 0.638618 0.806571 0.819839 0.0139585   -0.0389536  -0.0514465  55  PRO A CB   
802  C CG   . PRO A 55  ? 0.602068 0.723596 0.763514 0.0141109   -0.0598097  -0.0642776  55  PRO A CG   
803  C CD   . PRO A 55  ? 0.585664 0.698662 0.711231 -0.0139511  -0.0401171  -0.0912433  55  PRO A CD   
804  H HA   . PRO A 55  ? 0.466472 0.697109 0.666861 0.101835    0.140636    -0.0458432  55  PRO A HA   
805  H HB2  . PRO A 55  ? 0.418651 0.697338 0.686173 0.0953267   0.107521    -0.0105423  55  PRO A HB2  
806  H HB3  . PRO A 55  ? 0.45121  0.709082 0.714564 0.122856    0.128002    -0.0262303  55  PRO A HB3  
807  H HG2  . PRO A 55  ? 0.422461 0.629128 0.660593 0.100407    0.0884441   -0.0199722  55  PRO A HG2  
808  H HG3  . PRO A 55  ? 0.452472 0.629612 0.662997 0.111427    0.107378    -0.0403208  55  PRO A HG3  
809  H HD2  . PRO A 55  ? 0.403167 0.602153 0.59962  0.0644638   0.0805881   -0.0223643  55  PRO A HD2  
810  H HD3  . PRO A 55  ? 0.425498 0.581604 0.593349 0.0745936   0.0876784   -0.0401931  55  PRO A HD3  
811  N N    . ALA A 56  ? 0.589301 0.813537 0.814054 0.0469184   -0.0150105  -0.14324    56  ALA A N    
812  C CA   . ALA A 56  ? 0.603639 0.876952 0.803305 0.0347281   -0.00364409 -0.112103   56  ALA A CA   
813  C C    . ALA A 56  ? 0.560939 0.921871 0.835379 0.027871    -0.0363994  -0.0794892  56  ALA A C    
814  O O    . ALA A 56  ? 0.536689 0.931525 0.842449 0.0230162   -0.0738336  -0.0815608  56  ALA A O    
815  C CB   . ALA A 56  ? 0.594577 0.938671 0.836355 0.0687019   0.0166436   -0.120866   56  ALA A CB   
816  H H    . ALA A 56  ? 0.470435 0.778453 0.706472 0.102844    0.165936    -0.0339839  56  ALA A H    
817  H HA   . ALA A 56  ? 0.45067  0.797703 0.67066  0.0559232   0.160318    -0.0158577  56  ALA A HA   
818  H HB1  . ALA A 56  ? 0.49787  0.858448 0.726784 0.0962836   0.202549    -0.0350015  56  ALA A HB1  
819  H HB2  . ALA A 56  ? 0.479243 0.883556 0.768856 0.109348    0.197747    -0.0182449  56  ALA A HB2  
820  H HB3  . ALA A 56  ? 0.47725  0.899694 0.745912 0.0811658   0.201025    -0.0123213  56  ALA A HB3  
821  N N    . LYS A 57  ? 0.549232 0.952128 0.844155 0.0650069   -0.0268678  -0.0672855  57  LYS A N    
822  C CA   . LYS A 57  ? 0.607282 0.977942 0.882388 0.023461    -0.0348689  -0.0698422  57  LYS A CA   
823  C C    . LYS A 57  ? 0.610283 0.917546 0.81491  -0.0225157  -0.0381324  -0.0906679  57  LYS A C    
824  O O    . LYS A 57  ? 0.586757 0.944685 0.790282 -0.033467   -0.0503522  -0.0847906  57  LYS A O    
825  C CB   . LYS A 57  ? 0.746409 1.0172   0.983009 0.0281929   -0.0809079  0.01624     57  LYS A CB   
826  C CG   . LYS A 57  ? 0.801323 1.00068  1.05819  -0.00574049 -0.105933   -0.00270463 57  LYS A CG   
827  C CD   . LYS A 57  ? 0.846492 1.07561  1.08354  -0.00838216 -0.126474   0.0187014   57  LYS A CD   
828  C CE   . LYS A 57  ? 0.900705 1.0992   1.09801  -0.0207787  -0.0878641  0.0283843   57  LYS A CE   
829  N NZ   . LYS A 57  ? 0.883082 1.08363  1.09894  -0.0182948  -0.0950328  0.0535717   57  LYS A NZ   
830  H H    . LYS A 57  ? 0.427238 0.829095 0.752638 0.0937119   0.146687    0.0066949   57  LYS A H    
831  H HA   . LYS A 57  ? 0.400527 0.897689 0.776869 0.0535842   0.13463     0.0427728   57  LYS A HA   
832  H HB2  . LYS A 57  ? 0.390836 0.910359 0.828405 0.0835959   0.116034    0.0576683   57  LYS A HB2  
833  H HB3  . LYS A 57  ? 0.413493 0.941603 0.848215 0.103065    0.149665    0.0444999   57  LYS A HB3  
834  H HG2  . LYS A 57  ? 0.432154 0.863554 0.816388 0.128083    0.148378    0.0169238   57  LYS A HG2  
835  H HG3  . LYS A 57  ? 0.406746 0.819042 0.779414 0.104249    0.116808    0.0262854   57  LYS A HG3  
836  H HD2  . LYS A 57  ? 0.402764 0.89537  0.866607 0.128488    0.109424    0.057098    57  LYS A HD2  
837  H HD3  . LYS A 57  ? 0.430023 0.925785 0.900041 0.158429    0.142892    0.0431991   57  LYS A HD3  
838  H HE2  . LYS A 57  ? 0.430242 0.851102 0.879247 0.16818     0.11151     0.0420609   57  LYS A HE2  
839  H HE3  . LYS A 57  ? 0.448834 0.836058 0.85702  0.170643    0.135291    0.0175578   57  LYS A HE3  
840  H HZ1  . LYS A 57  ? 0.399213 0.781336 0.783415 0.114544    0.0869588   0.0359113   57  LYS A HZ1  
841  H HZ2  . LYS A 57  ? 0.419154 0.760751 0.770167 0.126355    0.106273    0.0139464   57  LYS A HZ2  
842  H HZ3  . LYS A 57  ? 0.418376 0.757918 0.793489 0.138699    0.0910169   0.025657    57  LYS A HZ3  
843  N N    . VAL A 58  ? 0.595169 0.876409 0.758178 0.0187845   0.0278649   -0.0996095  58  VAL A N    
844  C CA   . VAL A 58  ? 0.69487  0.849825 0.70697  0.0142707   0.0167651   -0.0989614  58  VAL A CA   
845  C C    . VAL A 58  ? 0.692102 0.80731  0.665764 -0.0115692  0.0768325   -0.107225   58  VAL A C    
846  O O    . VAL A 58  ? 0.719988 0.825755 0.605045 -0.0621033  0.0863199   -0.129596   58  VAL A O    
847  C CB   . VAL A 58  ? 0.811302 0.862758 0.731076 0.0569981   0.0541245   -0.0598808  58  VAL A CB   
848  C CG1  . VAL A 58  ? 0.903964 0.925618 0.764091 0.0509256   0.0607047   -0.0455425  58  VAL A CG1  
849  C CG2  . VAL A 58  ? 0.889106 0.931133 0.742754 0.0829125   -0.011893   0.00147438  58  VAL A CG2  
850  H H    . VAL A 58  ? 0.392664 0.751992 0.687553 0.0560715   0.10244     0.0158027   58  VAL A H    
851  H HA   . VAL A 58  ? 0.364147 0.732219 0.668186 0.0175951   0.0589343   0.0403387   58  VAL A HA   
852  H HB   . VAL A 58  ? 0.380289 0.66239  0.622743 0.0408203   0.0752543   0.00634375  58  VAL A HB   
853  H HG11 . VAL A 58  ? 0.357579 0.640555 0.604089 0.00820739  0.0355352   0.0276575   58  VAL A HG11 
854  H HG12 . VAL A 58  ? 0.363508 0.615976 0.576475 0.00864536  0.0476462   0.0131364   58  VAL A HG12 
855  H HG13 . VAL A 58  ? 0.362861 0.606648 0.590264 0.0263481   0.0418428   0.0130279   58  VAL A HG13 
856  H HG21 . VAL A 58  ? 0.379584 0.653299 0.652182 0.0647038   0.0613362   0.0128234   58  VAL A HG21 
857  H HG22 . VAL A 58  ? 0.385784 0.709383 0.690235 0.0728376   0.0788148   0.0181307   58  VAL A HG22 
858  H HG23 . VAL A 58  ? 0.369375 0.695288 0.677473 0.054264    0.0532379   0.0318905   58  VAL A HG23 
859  N N    . ARG A 59  ? 0.639836 0.804442 0.666352 0.0159032   0.116452    -0.115009   59  ARG A N    
860  C CA   . ARG A 59  ? 0.51007  0.777217 0.657425 -0.0302024  0.111647    -0.0934081  59  ARG A CA   
861  C C    . ARG A 59  ? 0.475272 0.815519 0.708774 -0.0383146  0.138269    -0.0641205  59  ARG A C    
862  O O    . ARG A 59  ? 0.507437 0.880431 0.733629 -0.0139084  0.194582    -0.0785643  59  ARG A O    
863  C CB   . ARG A 59  ? 0.490056 0.762396 0.636242 -0.0169678  0.114739    -0.11976    59  ARG A CB   
864  C CG   . ARG A 59  ? 0.478807 0.880334 0.645297 -0.0132894  0.148525    -0.118707   59  ARG A CG   
865  C CD   . ARG A 59  ? 0.489638 0.847822 0.669332 -0.0515676  0.156045    -0.179338   59  ARG A CD   
866  N NE   . ARG A 59  ? 0.504051 0.877187 0.688982 -0.101228   0.198387    -0.189597   59  ARG A NE   
867  C CZ   . ARG A 59  ? 0.578643 0.893973 0.753041 -0.0879115  0.221589    -0.213077   59  ARG A CZ   
868  N NH1  . ARG A 59  ? 0.608755 0.803625 0.764596 -0.121541   0.162508    -0.217      59  ARG A NH1  
869  N NH2  . ARG A 59  ? 0.64096  0.983957 0.839414 -0.0642637  0.235808    -0.221313   59  ARG A NH2  
870  H H    . ARG A 59  ? 0.390337 0.74871  0.645868 0.013834    0.100379    0.0200244   59  ARG A H    
871  H HA   . ARG A 59  ? 0.382933 0.685009 0.581862 -0.0299358  0.0715711   0.0244817   59  ARG A HA   
872  H HB2  . ARG A 59  ? 0.405145 0.680757 0.558647 -0.0248096  0.0921096   0.00925782  59  ARG A HB2  
873  H HB3  . ARG A 59  ? 0.398444 0.66527  0.566183 -0.00221255 0.0913692   4.398e-05   59  ARG A HB3  
874  H HG2  . ARG A 59  ? 0.420192 0.746008 0.619887 0.0169      0.125825    -0.00088421 59  ARG A HG2  
875  H HG3  . ARG A 59  ? 0.424838 0.763932 0.610157 -0.0085194  0.126698    0.00934487  59  ARG A HG3  
876  H HD2  . ARG A 59  ? 0.439047 0.703362 0.555256 -0.00922744 0.120236    -0.0102823  59  ARG A HD2  
877  H HD3  . ARG A 59  ? 0.435689 0.68845  0.566061 0.0137518   0.121015    -0.0215638  59  ARG A HD3  
878  H HE   . ARG A 59  ? 0.46897  0.78741  0.604931 0.00781656  0.158875    -0.0146601  59  ARG A HE   
879  H HH11 . ARG A 59  ? 0.478871 0.696084 0.563893 0.0313093   0.141881    -0.0488549  59  ARG A HH11 
880  H HH12 . ARG A 59  ? 0.490855 0.720501 0.602564 0.0562091   0.157558    -0.0559665  59  ARG A HH12 
881  H HH21 . ARG A 59  ? 0.506031 0.842522 0.651886 0.043881    0.196219    -0.0339919  59  ARG A HH21 
882  H HH22 . ARG A 59  ? 0.524566 0.814488 0.645715 0.0618422   0.197715    -0.0546902  59  ARG A HH22 
883  N N    . PRO A 60  ? 0.420611 0.798976 0.670484 -0.0910475  0.122717    -0.0299303  60  PRO A N    
884  C CA   . PRO A 60  ? 0.369123 0.73015  0.597983 -0.110053   0.0932152   -0.0330341  60  PRO A CA   
885  C C    . PRO A 60  ? 0.330565 0.694381 0.584688 -0.1077     0.0602488   -0.0372533  60  PRO A C    
886  O O    . PRO A 60  ? 0.289338 0.74738  0.603283 -0.111535   0.0362822   -0.0416368  60  PRO A O    
887  C CB   . PRO A 60  ? 0.36205  0.739008 0.588317 -0.164453   0.117706    -0.0239487  60  PRO A CB   
888  C CG   . PRO A 60  ? 0.382707 0.805884 0.668361 -0.154847   0.101524    -0.0132187  60  PRO A CG   
889  C CD   . PRO A 60  ? 0.398296 0.833463 0.691991 -0.11933    0.141452    -0.0208014  60  PRO A CD   
890  H HA   . PRO A 60  ? 0.402739 0.683378 0.556604 -0.0619708  0.0728618   0.0303935   60  PRO A HA   
891  H HB2  . PRO A 60  ? 0.418935 0.699102 0.566455 -0.1086     0.0545168   0.0532896   60  PRO A HB2  
892  H HB3  . PRO A 60  ? 0.427027 0.718485 0.565369 -0.0973689  0.0749606   0.0482541   60  PRO A HB3  
893  H HG2  . PRO A 60  ? 0.413535 0.782873 0.624477 -0.114039   0.0634377   0.0698049   60  PRO A HG2  
894  H HG3  . PRO A 60  ? 0.432149 0.798288 0.619453 -0.121364   0.0792288   0.0709523   60  PRO A HG3  
895  H HD2  . PRO A 60  ? 0.408922 0.837962 0.658724 -0.0790473  0.0959707   0.0640853   60  PRO A HD2  
896  H HD3  . PRO A 60  ? 0.424432 0.816901 0.629051 -0.0779934  0.107084    0.0535208   60  PRO A HD3  
897  N N    . LEU A 61  ? 0.315894 0.593101 0.542708 -0.145887   0.0655151   -0.0449968  61  LEU A N    
898  C CA   . LEU A 61  ? 0.323497 0.603677 0.519731 -0.131166   0.0401237   -0.0465813  61  LEU A CA   
899  C C    . LEU A 61  ? 0.348881 0.626621 0.508146 -0.125632   0.0209324   -0.0346287  61  LEU A C    
900  O O    . LEU A 61  ? 0.325345 0.590616 0.511687 -0.134696   0.0516411   -0.0516549  61  LEU A O    
901  C CB   . LEU A 61  ? 0.34327  0.605119 0.496347 -0.114147   0.0348272   -0.0582877  61  LEU A CB   
902  C CG   . LEU A 61  ? 0.324755 0.521887 0.518175 -0.0805755  0.0478529   -0.0562348  61  LEU A CG   
903  C CD1  . LEU A 61  ? 0.308161 0.460757 0.455689 -0.0534439  0.0241463   -0.0557712  61  LEU A CD1  
904  C CD2  . LEU A 61  ? 0.333229 0.611412 0.537597 -0.0216833  0.0470814   -0.00593549 61  LEU A CD2  
905  H H    . LEU A 61  ? 0.390991 0.618398 0.527141 -0.0693842  0.0437238   0.0286315   61  LEU A H    
906  H HA   . LEU A 61  ? 0.372451 0.625906 0.551799 -0.0622567  0.0253428   0.0349078   61  LEU A HA   
907  H HB2  . LEU A 61  ? 0.389329 0.560373 0.499954 -0.0775137  0.0188418   0.0255031   61  LEU A HB2  
908  H HB3  . LEU A 61  ? 0.379052 0.558379 0.50695  -0.071691   0.00927825  0.0257738   61  LEU A HB3  
909  H HG   . LEU A 61  ? 0.376133 0.562687 0.500497 -0.0444651  0.0370094   0.0122626   61  LEU A HG   
910  H HD11 . LEU A 61  ? 0.381624 0.508818 0.465117 -0.0542743  0.0225137   0.00900499  61  LEU A HD11 
911  H HD12 . LEU A 61  ? 0.369991 0.500462 0.464821 -0.0358383  0.0254622   0.00084249  61  LEU A HD12 
912  H HD13 . LEU A 61  ? 0.372363 0.498732 0.467584 -0.0498364  0.0135535   0.00823731  61  LEU A HD13 
913  H HD21 . LEU A 61  ? 0.363009 0.582634 0.531627 -0.0305834  0.030765    0.0174973   61  LEU A HD21 
914  H HD22 . LEU A 61  ? 0.361081 0.545618 0.50901  -0.0373752  0.0156874   0.015808    61  LEU A HD22 
915  H HD23 . LEU A 61  ? 0.361798 0.540274 0.504288 -0.0213475  0.0299342   0.00546923  61  LEU A HD23 
916  N N    . PRO A 62  ? 0.361295 0.674237 0.520228 -0.109178   -0.0109197  -0.0107714  62  PRO A N    
917  C CA   . PRO A 62  ? 0.343833 0.696264 0.540945 -0.139813   -0.0202665  0.0228459   62  PRO A CA   
918  C C    . PRO A 62  ? 0.383539 0.656046 0.524978 -0.168514   -0.030743   0.00542372  62  PRO A C    
919  O O    . PRO A 62  ? 0.378416 0.610041 0.463922 -0.141582   -0.0100216  -0.00102823 62  PRO A O    
920  C CB   . PRO A 62  ? 0.316954 0.766621 0.585868 -0.146443   -0.0541614  0.0392024   62  PRO A CB   
921  C CG   . PRO A 62  ? 0.333969 0.741332 0.57138  -0.0920356  -0.0564521  0.0350795   62  PRO A CG   
922  C CD   . PRO A 62  ? 0.335096 0.683607 0.534247 -0.0879716  -0.0100658  -0.00031126 62  PRO A CD   
923  H HA   . PRO A 62  ? 0.409543 0.711166 0.604085 -0.140831   -0.00162601 0.0712752   62  PRO A HA   
924  H HB2  . PRO A 62  ? 0.403257 0.736836 0.630807 -0.143959   -0.0308175  0.0815558   62  PRO A HB2  
925  H HB3  . PRO A 62  ? 0.393953 0.770911 0.651399 -0.133585   -0.0101788  0.0860042   62  PRO A HB3  
926  H HG2  . PRO A 62  ? 0.377259 0.706559 0.619431 -0.0984566  -0.0219879  0.0709742   62  PRO A HG2  
927  H HG3  . PRO A 62  ? 0.370712 0.745038 0.645489 -0.0875728  -0.00272165 0.0752336   62  PRO A HG3  
928  H HD2  . PRO A 62  ? 0.37214  0.640559 0.571683 -0.0786786  -0.00394281 0.0489661   62  PRO A HD2  
929  H HD3  . PRO A 62  ? 0.368441 0.678014 0.595442 -0.0688387  0.0141913   0.0520238   62  PRO A HD3  
930  N N    . GLY A 63  ? 0.364313 0.683807 0.544022 -0.209313   -0.0320952  0.014313    63  GLY A N    
931  C CA   . GLY A 63  ? 0.394938 0.665067 0.518875 -0.196753   -0.0605049  0.00920762  63  GLY A CA   
932  C C    . GLY A 63  ? 0.396496 0.598325 0.498235 -0.19128    -0.0381513  -0.00552882 63  GLY A C    
933  O O    . GLY A 63  ? 0.408006 0.592426 0.475603 -0.214793   -0.0725911  -0.0411342  63  GLY A O    
934  H H    . GLY A 63  ? 0.447931 0.707469 0.606117 -0.185551   -0.0267389  0.0774385   63  GLY A H    
935  H HA2  . GLY A 63  ? 0.492047 0.678521 0.59534  -0.216318   -0.049991   0.0718821   63  GLY A HA2  
936  H HA3  . GLY A 63  ? 0.471255 0.648806 0.574094 -0.190859   -0.0514973  0.0618721   63  GLY A HA3  
937  N N    . ARG A 64  ? 0.399074 0.574175 0.479546 -0.151655   -0.0321703  -0.00618142 64  ARG A N    
938  C CA   . ARG A 64  ? 0.436704 0.528854 0.47431  -0.130476   -0.00362242 0.00564915  64  ARG A CA   
939  C C    . ARG A 64  ? 0.464634 0.548547 0.489023 -0.115769   0.0244072   0.018086    64  ARG A C    
940  O O    . ARG A 64  ? 0.383139 0.535778 0.534699 -0.106467   0.023066    0.0305385   64  ARG A O    
941  C CB   . ARG A 64  ? 0.38135  0.521702 0.461452 -0.103722   0.0238829   0.00669239  64  ARG A CB   
942  C CG   . ARG A 64  ? 0.411166 0.489863 0.454025 -0.097202   -0.00109652 0.0160326   64  ARG A CG   
943  C CD   . ARG A 64  ? 0.381739 0.460946 0.478272 -0.109392   -0.0188618  0.0135299   64  ARG A CD   
944  N NE   . ARG A 64  ? 0.37463  0.491574 0.493466 -0.101011   0.0124855   0.0291646   64  ARG A NE   
945  C CZ   . ARG A 64  ? 0.378971 0.510286 0.480162 -0.0763948  -0.0202074  0.0529061   64  ARG A CZ   
946  N NH1  . ARG A 64  ? 0.343954 0.476902 0.41284  -0.0470443  -0.042497   0.0496235   64  ARG A NH1  
947  N NH2  . ARG A 64  ? 0.407188 0.524985 0.508671 -0.070058   -0.0183088  0.0514615   64  ARG A NH2  
948  H H    . ARG A 64  ? 0.452394 0.62067  0.549844 -0.162344   -0.0148312  0.05608     64  ARG A H    
949  H HA   . ARG A 64  ? 0.497156 0.554353 0.5213   -0.168863   -0.0206311  0.0444181   64  ARG A HA   
950  H HB2  . ARG A 64  ? 0.433605 0.548132 0.501744 -0.123282   -0.00515244 0.0356148   64  ARG A HB2  
951  H HB3  . ARG A 64  ? 0.454014 0.519107 0.488088 -0.125185   -0.00511777 0.0323687   64  ARG A HB3  
952  H HG2  . ARG A 64  ? 0.467903 0.495536 0.482187 -0.129154   -0.0194884  0.0240595   64  ARG A HG2  
953  H HG3  . ARG A 64  ? 0.464016 0.532327 0.50234  -0.143724   -0.0271444  0.0320922   64  ARG A HG3  
954  H HD2  . ARG A 64  ? 0.418151 0.492247 0.469703 -0.0967744  -0.00961733 0.019132    64  ARG A HD2  
955  H HD3  . ARG A 64  ? 0.432392 0.48955  0.471886 -0.107368   -0.0215888  0.018256    64  ARG A HD3  
956  H HE   . ARG A 64  ? 0.41768  0.557631 0.511042 -0.118507   -0.019604   0.0353674   64  ARG A HE   
957  H HH11 . ARG A 64  ? 0.391227 0.485213 0.466163 -0.0752018  -0.0130732  0.0142536   64  ARG A HH11 
958  H HH12 . ARG A 64  ? 0.380593 0.503091 0.480691 -0.0688332  -0.0177295  0.0186568   64  ARG A HH12 
959  H HH21 . ARG A 64  ? 0.393513 0.591354 0.535755 -0.103092   -0.0238812  0.0424714   64  ARG A HH21 
960  H HH22 . ARG A 64  ? 0.378297 0.567369 0.524013 -0.0787015  -0.0197945  0.035019    64  ARG A HH22 
961  N N    . ARG A 65  ? 0.485718 0.542937 0.511957 -0.129748   0.0168485   0.0175447   65  ARG A N    
962  C CA   . ARG A 65  ? 0.493785 0.557888 0.579156 -0.168509   0.00606906  0.0227352   65  ARG A CA   
963  C C    . ARG A 65  ? 0.458924 0.544589 0.546251 -0.164961   0.0122545   0.0245852   65  ARG A C    
964  O O    . ARG A 65  ? 0.457672 0.488196 0.535779 -0.202982   0.0335768   0.0246361   65  ARG A O    
965  C CB   . ARG A 65  ? 0.527716 0.515784 0.647978 -0.194784   0.00540553  0.00101624  65  ARG A CB   
966  C CG   . ARG A 65  ? 0.555747 0.559918 0.691143 -0.218062   0.0371627   -0.0403031  65  ARG A CG   
967  C CD   . ARG A 65  ? 0.626142 0.581139 0.789536 -0.220962   0.0202414   -0.0217264  65  ARG A CD   
968  N NE   . ARG A 65  ? 0.723693 0.608953 0.895836 -0.252291   -0.0192208  -0.067435   65  ARG A NE   
969  C CZ   . ARG A 65  ? 0.756163 0.636901 0.951537 -0.229667   -0.0670449  -0.0584272  65  ARG A CZ   
970  N NH1  . ARG A 65  ? 0.772183 0.669531 0.962278 -0.218449   -0.0832679  -0.0392943  65  ARG A NH1  
971  N NH2  . ARG A 65  ? 0.770634 0.701319 0.991112 -0.267617   -0.12262    -0.0396087  65  ARG A NH2  
972  H H    . ARG A 65  ? 0.516629 0.54698  0.518442 -0.167958   -0.00820754 0.0506064   65  ARG A H    
973  H HA   . ARG A 65  ? 0.640189 0.744616 0.671607 -0.17748    0.0107166   0.068088    65  ARG A HA   
974  H HB2  . ARG A 65  ? 0.566325 0.584186 0.547777 -0.2004     -0.00308532 0.0727949   65  ARG A HB2  
975  H HB3  . ARG A 65  ? 0.552286 0.543843 0.521975 -0.171865   -0.00041598 0.0619471   65  ARG A HB3  
976  H HG2  . ARG A 65  ? 0.545504 0.579824 0.520839 -0.167961   0.0163182   0.0734253   65  ARG A HG2  
977  H HG3  . ARG A 65  ? 0.56165  0.618891 0.547963 -0.196087   0.0155497   0.084972    65  ARG A HG3  
978  H HD2  . ARG A 65  ? 0.602901 0.548004 0.535455 -0.18097    0.00274105  0.0795029   65  ARG A HD2  
979  H HD3  . ARG A 65  ? 0.610785 0.587414 0.546432 -0.194955   0.010651    0.0934531   65  ARG A HD3  
980  H HE   . ARG A 65  ? 0.629359 0.611393 0.578801 -0.233752   -0.00218531 0.0953855   65  ARG A HE   
981  H HH11 . ARG A 65  ? 0.667419 0.521806 0.560113 -0.195266   -0.00949172 0.08041     65  ARG A HH11 
982  H HH12 . ARG A 65  ? 0.711668 0.536296 0.582975 -0.210943   -0.00988999 0.0968834   65  ARG A HH12 
983  H HH21 . ARG A 65  ? 0.710165 0.620354 0.619521 -0.275763   -0.0148966  0.109531    65  ARG A HH21 
984  H HH22 . ARG A 65  ? 0.747918 0.582253 0.621136 -0.266423   -0.0193895  0.105415    65  ARG A HH22 
985  N N    . ASN A 66  ? 0.428449 0.604574 0.51883  -0.167817   0.0478457   0.0383844   66  ASN A N    
986  C CA   . ASN A 66  ? 0.433721 0.634301 0.501491 -0.132505   0.022772    0.0478787   66  ASN A CA   
987  C C    . ASN A 66  ? 0.420559 0.657788 0.46565  -0.171149   0.0423648   0.072959    66  ASN A C    
988  O O    . ASN A 66  ? 0.403921 0.692607 0.486559 -0.202204   0.0159852   0.111424    66  ASN A O    
989  C CB   . ASN A 66  ? 0.472722 0.687615 0.53487  -0.100348   0.0472162   0.00767285  66  ASN A CB   
990  C CG   . ASN A 66  ? 0.413192 0.623884 0.56203  -0.10577    -0.0107252  0.00059098  66  ASN A CG   
991  O OD1  . ASN A 66  ? 0.319153 0.61439  0.610337 -0.125417   -0.0204508  -0.0470297  66  ASN A OD1  
992  N ND2  . ASN A 66  ? 0.355722 0.595225 0.575658 -0.153564   -0.0171471  -0.0243174  66  ASN A ND2  
993  H H    . ASN A 66  ? 0.609411 0.751117 0.654384 -0.146691   0.0301138   0.0602815   66  ASN A H    
994  H HA   . ASN A 66  ? 0.451705 0.553624 0.478197 -0.106226   0.0291554   0.038306    66  ASN A HA   
995  H HB2  . ASN A 66  ? 0.582095 0.769565 0.647001 -0.115274   0.0511982   0.0477993   66  ASN A HB2  
996  H HB3  . ASN A 66  ? 0.572754 0.736111 0.622486 -0.0944896  0.051498    0.0345315   66  ASN A HB3  
997  H HD21 . ASN A 66  ? 0.552208 0.717221 0.64117  -0.108417   0.0214371   0.0386121   66  ASN A HD21 
998  H HD22 . ASN A 66  ? 0.56965  0.752315 0.65823  -0.126367   0.0278106   0.049799    66  ASN A HD22 
999  N N    . VAL A 67  ? 0.420888 0.591777 0.433157 -0.2053     0.0273764   0.0458139   67  VAL A N    
1000 C CA   . VAL A 67  ? 0.425389 0.568083 0.444317 -0.186399   0.0280856   0.0345512   67  VAL A CA   
1001 C C    . VAL A 67  ? 0.458707 0.582685 0.422075 -0.152544   0.032062    0.0126929   67  VAL A C    
1002 O O    . VAL A 67  ? 0.404425 0.563253 0.40334  -0.150932   0.0558207   0.0003639   67  VAL A O    
1003 C CB   . VAL A 67  ? 0.479872 0.545436 0.472255 -0.181811   0.020113    0.00736332  67  VAL A CB   
1004 C CG1  . VAL A 67  ? 0.582163 0.513058 0.502618 -0.178024   0.0189371   0.00096915  67  VAL A CG1  
1005 C CG2  . VAL A 67  ? 0.502241 0.553849 0.464125 -0.154335   0.0465621   -0.00591393 67  VAL A CG2  
1006 H H    . VAL A 67  ? 0.465687 0.53866  0.459018 -0.0953766  0.0315822   0.0375768   67  VAL A H    
1007 H HA   . VAL A 67  ? 0.50714  0.596447 0.471469 -0.113795   0.0448633   0.0554317   67  VAL A HA   
1008 H HB   . VAL A 67  ? 0.506444 0.52618  0.456084 -0.0973307  0.0227688   0.0522983   67  VAL A HB   
1009 H HG11 . VAL A 67  ? 0.552892 0.590802 0.471288 -0.120269   0.0334429   0.0746202   67  VAL A HG11 
1010 H HG12 . VAL A 67  ? 0.532676 0.563779 0.453546 -0.0998545  0.0278958   0.0625653   67  VAL A HG12 
1011 H HG13 . VAL A 67  ? 0.555795 0.553658 0.469292 -0.110126   0.0207076   0.0753126   67  VAL A HG13 
1012 H HG21 . VAL A 67  ? 0.553564 0.541709 0.485866 -0.126823   0.0185056   0.0728318   67  VAL A HG21 
1013 H HG22 . VAL A 67  ? 0.522496 0.541171 0.480981 -0.124369   0.0214163   0.0610092   67  VAL A HG22 
1014 H HG23 . VAL A 67  ? 0.542905 0.578014 0.491068 -0.137321   0.0289806   0.0733576   67  VAL A HG23 
1015 N N    . VAL A 68  ? 0.460493 0.630591 0.408849 -0.133601   0.0634871   0.0146237   68  VAL A N    
1016 C CA   . VAL A 68  ? 0.398977 0.653673 0.393096 -0.0931694  0.0262558   0.0220075   68  VAL A CA   
1017 C C    . VAL A 68  ? 0.417622 0.644689 0.361527 -0.0885442  0.0276713   0.0220688   68  VAL A C    
1018 O O    . VAL A 68  ? 0.405696 0.680267 0.362632 -0.0946392  -0.00638392 0.0485019   68  VAL A O    
1019 C CB   . VAL A 68  ? 0.385618 0.68001  0.398483 -0.0702101  0.0391713   0.00839891  68  VAL A CB   
1020 C CG1  . VAL A 68  ? 0.382272 0.719028 0.415661 -0.0543647  0.0311374   0.0221723   68  VAL A CG1  
1021 C CG2  . VAL A 68  ? 0.381847 0.705537 0.434801 -0.0667332  0.040923    0.030245    68  VAL A CG2  
1022 H H    . VAL A 68  ? 0.514454 0.616034 0.456358 -0.100876   0.054265    0.0473671   68  VAL A H    
1023 H HA   . VAL A 68  ? 0.483783 0.578662 0.431398 -0.0705064  0.0500533   0.0195722   68  VAL A HA   
1024 H HB   . VAL A 68  ? 0.520563 0.661724 0.45418  -0.0870758  0.0783929   0.0270362   68  VAL A HB   
1025 H HG11 . VAL A 68  ? 0.4982   0.616717 0.433013 -0.0592555  0.0702081   -0.00220133 68  VAL A HG11 
1026 H HG12 . VAL A 68  ? 0.529754 0.65066  0.433483 -0.0721129  0.0737728   0.00775205  68  VAL A HG12 
1027 H HG13 . VAL A 68  ? 0.517945 0.663465 0.448278 -0.0636467  0.0897082   -0.00190776 68  VAL A HG13 
1028 H HG21 . VAL A 68  ? 0.486334 0.657955 0.469328 -0.0685101  0.0894461   0.0107301   68  VAL A HG21 
1029 H HG22 . VAL A 68  ? 0.480768 0.635617 0.46667  -0.0817965  0.0743768   0.0246995   68  VAL A HG22 
1030 H HG23 . VAL A 68  ? 0.467114 0.608624 0.45317  -0.0639375  0.0710207   0.00899154  68  VAL A HG23 
1031 N N    . VAL A 69  ? 0.407764 0.59528  0.369864 -0.0743136  0.0193926   0.0260557   69  VAL A N    
1032 C CA   . VAL A 69  ? 0.415359 0.631843 0.353442 -0.0928449  0.0276858   0.0404602   69  VAL A CA   
1033 C C    . VAL A 69  ? 0.450506 0.664753 0.373422 -0.0938259  0.0322709   0.0225779   69  VAL A C    
1034 O O    . VAL A 69  ? 0.468527 0.672605 0.398486 -0.0981202  0.0241218   0.0101887   69  VAL A O    
1035 C CB   . VAL A 69  ? 0.395329 0.587252 0.38222  -0.0915024  0.0167554   0.0662839   69  VAL A CB   
1036 C CG1  . VAL A 69  ? 0.449069 0.639449 0.389907 -0.0897625  0.00299247  0.0853715   69  VAL A CG1  
1037 C CG2  . VAL A 69  ? 0.335313 0.551194 0.381689 -0.0720418  0.0186583   0.0870771   69  VAL A CG2  
1038 H H    . VAL A 69  ? 0.502137 0.576586 0.417046 -0.0668245  0.0384295   0.0194113   69  VAL A H    
1039 H HA   . VAL A 69  ? 0.555785 0.615461 0.424287 -0.0851262  0.0291006   0.0489006   69  VAL A HA   
1040 H HB   . VAL A 69  ? 0.512648 0.564196 0.409306 -0.0618513  0.0155737   0.0271548   69  VAL A HB   
1041 H HG11 . VAL A 69  ? 0.56791  0.605739 0.423054 -0.0759981  0.00212569  0.0610837   69  VAL A HG11 
1042 H HG12 . VAL A 69  ? 0.5569   0.607482 0.411692 -0.0715263  0.00339903  0.0423629   69  VAL A HG12 
1043 H HG13 . VAL A 69  ? 0.540896 0.575934 0.419013 -0.0626715  -0.00586615 0.0521149   69  VAL A HG13 
1044 H HG21 . VAL A 69  ? 0.51046  0.532431 0.421932 -0.0579671  0.00366241  0.0465995   69  VAL A HG21 
1045 H HG22 . VAL A 69  ? 0.501979 0.537544 0.420605 -0.0647006  0.0166038   0.0388098   69  VAL A HG22 
1046 H HG23 . VAL A 69  ? 0.533083 0.556264 0.429502 -0.0719827  0.0105688   0.0566327   69  VAL A HG23 
1047 N N    . SER A 70  ? 0.440955 0.737416 0.334542 -0.112464   0.0760635   0.0144414   70  SER A N    
1048 C CA   . SER A 70  ? 0.508216 0.789164 0.393819 -0.0988609  0.0577583   -0.0118529  70  SER A CA   
1049 C C    . SER A 70  ? 0.571182 0.828884 0.351658 -0.1105     0.0269778   0.0096034   70  SER A C    
1050 O O    . SER A 70  ? 0.532619 0.825418 0.287465 -0.160815   0.00545036  0.018205    70  SER A O    
1051 C CB   . SER A 70  ? 0.490818 0.840436 0.407801 -0.111288   0.116242    -0.0326235  70  SER A CB   
1052 O OG   . SER A 70  ? 0.475599 0.886582 0.427323 -0.105487   0.169269    -0.0323802  70  SER A OG   
1053 H H    . SER A 70  ? 0.598588 0.67283  0.421334 -0.0955037  0.035671    0.0490841   70  SER A H    
1054 H HA   . SER A 70  ? 0.612376 0.695395 0.407633 -0.0879619  0.0418858   0.0148558   70  SER A HA   
1055 H HB2  . SER A 70  ? 0.609928 0.721603 0.422944 -0.0892863  0.0744144   0.011114    70  SER A HB2  
1056 H HB3  . SER A 70  ? 0.638851 0.749654 0.426254 -0.105115   0.0708346   0.0323385   70  SER A HB3  
1058 N N    . ARG A 71  ? 0.566335 0.831468 0.392831 -0.124628   0.0372517   0.0152231   71  ARG A N    
1059 C CA   . ARG A 71  ? 0.595782 0.872083 0.391597 -0.132897   0.0172149   0.0116195   71  ARG A CA   
1060 C C    . ARG A 71  ? 0.615298 0.868895 0.431878 -0.165927   0.0357174   0.0324725   71  ARG A C    
1061 O O    . ARG A 71  ? 0.624746 0.905124 0.462725 -0.159453   0.0286259   0.0602433   71  ARG A O    
1062 C CB   . ARG A 71  ? 0.607862 0.902647 0.429149 -0.156166   0.0290072   0.0252261   71  ARG A CB   
1063 C CG   . ARG A 71  ? 0.598773 0.878712 0.438024 -0.137936   0.0428983   0.0735374   71  ARG A CG   
1064 C CD   . ARG A 71  ? 0.645855 0.911691 0.428459 -0.172065   0.0461979   0.0581439   71  ARG A CD   
1065 N NE   . ARG A 71  ? 0.633884 0.869191 0.533282 -0.159567   0.0677161   0.12432     71  ARG A NE   
1066 C CZ   . ARG A 71  ? 0.636961 0.839533 0.557717 -0.149015   0.0993378   0.101355    71  ARG A CZ   
1067 N NH1  . ARG A 71  ? 0.653805 0.817859 0.590954 -0.164899   0.0951164   0.0904833   71  ARG A NH1  
1068 N NH2  . ARG A 71  ? 0.650999 0.820061 0.578004 -0.13846    0.0992833   0.100195    71  ARG A NH2  
1069 H H    . ARG A 71  ? 0.677166 0.757605 0.404568 -0.105276   0.0328138   0.0210251   71  ARG A H    
1070 H HA   . ARG A 71  ? 0.886996 0.958398 0.588983 -0.12079    0.00742708  0.0684299   71  ARG A HA   
1071 H HB2  . ARG A 71  ? 0.747953 0.824499 0.40177  -0.125089   0.0165249   0.0260909   71  ARG A HB2  
1072 H HB3  . ARG A 71  ? 0.771706 0.847569 0.407514 -0.135115   -0.00097527 0.0548918   71  ARG A HB3  
1073 H HG2  . ARG A 71  ? 0.869411 0.937012 0.584867 -0.111118   -0.0187119  0.0591585   71  ARG A HG2  
1074 H HG3  . ARG A 71  ? 0.866099 0.935434 0.576353 -0.109632   -0.00873125 0.030952    71  ARG A HG3  
1075 H HD2  . ARG A 71  ? 0.903844 0.975587 0.549225 -0.131262   -0.0329109  0.0391149   71  ARG A HD2  
1076 H HD3  . ARG A 71  ? 0.904155 0.977518 0.558845 -0.130475   -0.0433055  0.0698824   71  ARG A HD3  
1077 H HE   . ARG A 71  ? 0.847616 0.922918 0.565959 -0.111517   -0.062791   0.0717981   71  ARG A HE   
1078 H HH11 . ARG A 71  ? 0.864471 0.929318 0.550344 -0.116961   -0.02577    0.00925352  71  ARG A HH11 
1079 H HH12 . ARG A 71  ? 0.831532 0.894691 0.551985 -0.109099   -0.0359514  0.00272471  71  ARG A HH12 
1080 H HH21 . ARG A 71  ? 0.802189 0.884492 0.56986  -0.0992989  -0.0749825  0.059161    71  ARG A HH21 
1081 H HH22 . ARG A 71  ? 0.792361 0.86961  0.559784 -0.100804   -0.0648916  0.0321711   71  ARG A HH22 
1082 N N    . ARG A 72  ? 0.608087 0.855759 0.467387 -0.178716   0.0275284   0.0109138   72  ARG A N    
1083 C CA   . ARG A 72  ? 0.641711 0.877906 0.52016  -0.197329   0.0524978   -0.00832493 72  ARG A CA   
1084 C C    . ARG A 72  ? 0.642204 0.87324  0.569466 -0.204415   0.0637946   -0.0138976  72  ARG A C    
1085 O O    . ARG A 72  ? 0.587046 0.849754 0.56607  -0.205758   0.0807924   -0.0525714  72  ARG A O    
1086 C CB   . ARG A 72  ? 0.730275 0.866637 0.576522 -0.1795     0.0756931   -0.0356701  72  ARG A CB   
1087 C CG   . ARG A 72  ? 0.791988 0.877876 0.700322 -0.201119   0.0356968   -0.0156151  72  ARG A CG   
1088 C CD   . ARG A 72  ? 0.856232 0.919168 0.816685 -0.159558   0.0456514   -0.0229854  72  ARG A CD   
1089 N NE   . ARG A 72  ? 0.851779 0.892972 0.82744  -0.140104   0.0338647   -0.0309461  72  ARG A NE   
1090 C CZ   . ARG A 72  ? 0.832961 0.897943 0.853397 -0.126027   0.0606187   -0.0338826  72  ARG A CZ   
1091 N NH1  . ARG A 72  ? 0.833485 0.925054 0.890652 -0.143263   0.119859    -0.0806365  72  ARG A NH1  
1092 N NH2  . ARG A 72  ? 0.849718 0.917702 0.845224 -0.0665302  0.0859634   0.0134785   72  ARG A NH2  
1093 H H    . ARG A 72  ? 0.720755 0.822061 0.415062 -0.120568   0.0630945   0.0289002   72  ARG A H    
1094 H HA   . ARG A 72  ? 0.965044 1.07916  0.576048 -0.149616   0.0777072   0.04725     72  ARG A HA   
1095 H HB2  . ARG A 72  ? 0.744727 0.877003 0.430149 -0.120322   0.10746     0.0107329   72  ARG A HB2  
1096 H HB3  . ARG A 72  ? 0.795037 0.9403   0.436985 -0.135558   0.122934    0.0183834   72  ARG A HB3  
1097 H HG2  . ARG A 72  ? 0.841663 0.956117 0.419353 -0.139852   0.102631    0.00051464  72  ARG A HG2  
1098 H HG3  . ARG A 72  ? 0.788974 0.892647 0.41415  -0.125077   0.0872707   -0.00561397 72  ARG A HG3  
1099 H HD2  . ARG A 72  ? 0.805927 0.946509 0.441279 -0.114146   0.145616    -0.0265143  72  ARG A HD2  
1100 H HD3  . ARG A 72  ? 0.849514 0.965523 0.431323 -0.120215   0.136425    -0.0409432  72  ARG A HD3  
1101 H HE   . ARG A 72  ? 0.758687 0.859342 0.42165  -0.10093    0.106136    -0.039901   72  ARG A HE   
1102 H HH11 . ARG A 72  ? 0.786641 0.937019 0.463555 -0.0854261  0.174924    -0.0573776  72  ARG A HH11 
1103 H HH12 . ARG A 72  ? 0.784464 0.917555 0.471752 -0.0665129  0.181077    -0.0826669  72  ARG A HH12 
1104 H HH21 . ARG A 72  ? 0.750842 0.829936 0.430211 -0.0794892  0.11499     -0.0762022  72  ARG A HH21 
1105 H HH22 . ARG A 72  ? 0.741019 0.835061 0.449657 -0.0627604  0.14112     -0.0863848  72  ARG A HH22 
1106 N N    . PRO A 73  ? 0.64053  0.892313 0.570273 -0.243781   0.0698785   0.00482384  73  PRO A N    
1107 C CA   . PRO A 73  ? 0.654068 0.893037 0.6047   -0.247762   0.0556796   -0.00285737 73  PRO A CA   
1108 C C    . PRO A 73  ? 0.650774 0.923043 0.671579 -0.253893   0.0721955   -0.0403049  73  PRO A C    
1109 O O    . PRO A 73  ? 0.701006 0.935667 0.686001 -0.259784   0.0607731   -0.070477   73  PRO A O    
1110 C CB   . PRO A 73  ? 0.69248  0.910372 0.612885 -0.271398   0.0479169   0.0317438   73  PRO A CB   
1111 C CG   . PRO A 73  ? 0.7635   0.955458 0.572977 -0.268861   0.0767081   0.0364428   73  PRO A CG   
1112 C CD   . PRO A 73  ? 0.709535 0.927877 0.5631   -0.259232   0.0787093   -0.00359838 73  PRO A CD   
1113 H HA   . PRO A 73  ? 0.764672 0.880279 0.457257 -0.164366   0.0772526   0.104118    73  PRO A HA   
1114 H HB2  . PRO A 73  ? 0.848644 0.966294 0.47508  -0.198019   0.0827702   0.14113     73  PRO A HB2  
1115 H HB3  . PRO A 73  ? 0.830277 0.923054 0.462138 -0.182609   0.0570919   0.13698     73  PRO A HB3  
1116 H HG2  . PRO A 73  ? 0.88824  1.02735  0.458722 -0.196586   0.100578    0.113875    73  PRO A HG2  
1117 H HG3  . PRO A 73  ? 0.900967 1.01155  0.454688 -0.19871    0.0689086   0.133172    73  PRO A HG3  
1118 H HD2  . PRO A 73  ? 1.01239  1.13728  0.582795 -0.174467   0.0865151   0.0788603   73  PRO A HD2  
1119 H HD3  . PRO A 73  ? 0.991174 1.09405  0.582041 -0.171188   0.056483    0.0984909   73  PRO A HD3  
1120 N N    . ASP A 74  ? 0.658864 0.972496 0.643964 -0.237879   0.0835002   -0.0883435  74  ASP A N    
1121 C CA   . ASP A 74  ? 0.672801 1.009    0.647708 -0.21652    0.101227    -0.0827674  74  ASP A CA   
1122 C C    . ASP A 74  ? 0.650572 1.0066   0.67697  -0.191034   0.0739421   -0.101227   74  ASP A C    
1123 O O    . ASP A 74  ? 0.632874 1.06555  0.755334 -0.184569   0.0653358   -0.114757   74  ASP A O    
1124 C CB   . ASP A 74  ? 0.70732  1.08272  0.640168 -0.204407   0.144187    -0.0724204  74  ASP A CB   
1125 C CG   . ASP A 74  ? 0.742905 1.09826  0.59401  -0.193924   0.158916    -0.0965928  74  ASP A CG   
1126 O OD1  . ASP A 74  ? 0.757854 1.06094  0.484546 -0.18965    0.165686    -0.088851   74  ASP A OD1  
1127 O OD2  . ASP A 74  ? 0.767217 1.18115  0.654207 -0.178225   0.211605    -0.105343   74  ASP A OD2  
1128 H H    . ASP A 74  ? 0.811063 0.980232 0.458841 -0.163447   0.130674    0.0651881   74  ASP A H    
1129 H HA   . ASP A 74  ? 0.79668  1.01773  0.49835  -0.179013   0.161764    0.0863983   74  ASP A HA   
1130 H HB2  . ASP A 74  ? 0.853363 1.11028  0.508604 -0.175578   0.204717    0.0635403   74  ASP A HB2  
1131 H HB3  . ASP A 74  ? 0.877646 1.10354  0.494787 -0.192858   0.179293    0.0854838   74  ASP A HB3  
1132 N N    . PHE A 75  ? 0.692782 0.984824 0.623101 -0.178247   0.0389185   -0.105902   75  PHE A N    
1133 C CA   . PHE A 75  ? 0.699013 1.00728  0.664596 -0.169466   -0.0169326  -0.113118   75  PHE A CA   
1134 C C    . PHE A 75  ? 0.747148 1.03076  0.773168 -0.158157   -0.0903146  -0.129308   75  PHE A C    
1135 O O    . PHE A 75  ? 0.758509 0.998531 0.715247 -0.162465   -0.109018   -0.105621   75  PHE A O    
1136 C CB   . PHE A 75  ? 0.689829 0.983484 0.571676 -0.160867   0.0126443   -0.101568   75  PHE A CB   
1137 C CG   . PHE A 75  ? 0.648385 1.00351  0.541932 -0.151345   0.0582841   -0.0789834  75  PHE A CG   
1138 C CD1  . PHE A 75  ? 0.61925  1.025    0.509507 -0.126774   0.122913    -0.0807909  75  PHE A CD1  
1139 C CD2  . PHE A 75  ? 0.588954 0.998526 0.522366 -0.175137   0.120942    -0.0310619  75  PHE A CD2  
1140 C CE1  . PHE A 75  ? 0.563896 1.00772  0.537562 -0.100356   0.160472    -0.0852121  75  PHE A CE1  
1141 C CE2  . PHE A 75  ? 0.514122 0.957718 0.473912 -0.183618   0.154355    -0.0312803  75  PHE A CE2  
1142 C CZ   . PHE A 75  ? 0.49334  0.991313 0.506097 -0.106396   0.199344    -0.0500114  75  PHE A CZ   
1143 H H    . PHE A 75  ? 0.734469 0.916136 0.464761 -0.13872    0.135837    0.0457586   75  PHE A H    
1144 H HA   . PHE A 75  ? 0.721891 0.937617 0.484033 -0.109213   0.174399    0.00569757  75  PHE A HA   
1145 H HB2  . PHE A 75  ? 0.696658 0.860195 0.450665 -0.106979   0.130692    0.00675656  75  PHE A HB2  
1146 H HB3  . PHE A 75  ? 0.662505 0.831626 0.45658  -0.111065   0.122137    0.0246783   75  PHE A HB3  
1147 H HD1  . PHE A 75  ? 0.697097 0.875846 0.471248 -0.0779081  0.164013    -0.0324623  75  PHE A HD1  
1148 H HD2  . PHE A 75  ? 0.599004 0.780304 0.46623  -0.0907483  0.122362    0.0129903   75  PHE A HD2  
1149 H HE1  . PHE A 75  ? 0.660413 0.839847 0.489763 -0.0464156  0.17299     -0.0557325  75  PHE A HE1  
1150 H HE2  . PHE A 75  ? 0.55943  0.751336 0.477521 -0.0634891  0.129195    -0.00914252 75  PHE A HE2  
1151 H HZ   . PHE A 75  ? 0.588238 0.779134 0.491942 -0.0394773  0.153809    -0.0406764  75  PHE A HZ   
1152 N N    . VAL A 76  ? 0.71793  1.08804  0.773935 -0.138444   -0.0560443  -0.129163   76  VAL A N    
1153 C CA   . VAL A 76  ? 0.671165 1.13852  0.689218 -0.124421   -0.00545689 -0.106412   76  VAL A CA   
1154 C C    . VAL A 76  ? 0.555604 1.04434  0.645058 -0.101127   0.0101075   -0.157607   76  VAL A C    
1155 O O    . VAL A 76  ? 0.575025 0.994954 0.65475  -0.0393947  0.0137544   -0.239518   76  VAL A O    
1156 C CB   . VAL A 76  ? 0.771308 1.22319  0.742905 -0.109723   0.0595029   -0.101914   76  VAL A CB   
1157 C CG1  . VAL A 76  ? 0.844117 1.27915  0.811996 -0.178348   0.0747518   -0.0642667  76  VAL A CG1  
1158 C CG2  . VAL A 76  ? 0.899637 1.21381  0.773939 -0.0933241  0.0357947   -0.095516   76  VAL A CG2  
1159 H H    . VAL A 76  ? 0.673143 0.930517 0.515627 -0.089269   0.192643    -0.00065805 76  VAL A H    
1160 H HA   . VAL A 76  ? 0.638613 0.937921 0.541891 -0.115851   0.185431    0.038672    76  VAL A HA   
1161 H HB   . VAL A 76  ? 0.637257 1.00718  0.590685 -0.0970865  0.224529    0.0290126   76  VAL A HB   
1162 H HG11 . VAL A 76  ? 0.71998  1.05522  0.563563 -0.111295   0.238385    0.0217887   76  VAL A HG11 
1163 H HG12 . VAL A 76  ? 0.696936 1.05834  0.580096 -0.12859    0.231848    0.0462101   76  VAL A HG12 
1164 H HG13 . VAL A 76  ? 0.710079 1.10111  0.602867 -0.106053   0.26229     0.0263399   76  VAL A HG13 
1165 H HG21 . VAL A 76  ? 0.679874 1.05271  0.60573  -0.0630162  0.262306    -0.00685323 76  VAL A HG21 
1166 H HG22 . VAL A 76  ? 0.635238 0.981469 0.588144 -0.0568008  0.233546    -0.00739127 76  VAL A HG22 
1167 H HG23 . VAL A 76  ? 0.676971 0.992805 0.56594  -0.0647917  0.235877    -0.0153854  76  VAL A HG23 
1168 N N    . ALA A 77  ? 0.493903 0.993211 0.599027 -0.117728   -0.0103061  -0.118726   77  ALA A N    
1169 C CA   . ALA A 77  ? 0.466449 0.957888 0.585292 -0.090087   -0.0161633  -0.126361   77  ALA A CA   
1170 C C    . ALA A 77  ? 0.416951 0.977648 0.602971 -0.0759954  -0.00433171 -0.0913681  77  ALA A C    
1171 O O    . ALA A 77  ? 0.394028 0.955637 0.588422 -0.0787495  -0.0325139  -0.085623   77  ALA A O    
1172 C CB   . ALA A 77  ? 0.378    0.886452 0.542366 -0.103923   -0.0876258  -0.114872   77  ALA A CB   
1173 H H    . ALA A 77  ? 0.583428 0.871968 0.539668 -0.111585   0.159508    0.0427415   77  ALA A H    
1174 H HA   . ALA A 77  ? 0.89857  1.19174  0.908607 -0.0699683  0.159293    0.0143241   77  ALA A HA   
1175 H HB1  . ALA A 77  ? 0.53442  0.759564 0.499407 -0.0808977  0.126332    0.0172303   77  ALA A HB1  
1176 H HB2  . ALA A 77  ? 0.532555 0.766373 0.509973 -0.101221   0.119631    0.0374123   77  ALA A HB2  
1177 H HB3  . ALA A 77  ? 0.505567 0.747019 0.513461 -0.0809119  0.120139    0.0231509   77  ALA A HB3  
1178 N N    . GLU A 78  ? 0.426828 0.995169 0.614228 -0.0292847  0.0720434   -0.0871005  78  GLU A N    
1179 C CA   . GLU A 78  ? 0.439954 1.0346   0.635906 -0.0590929  0.07463     -0.0608688  78  GLU A CA   
1180 C C    . GLU A 78  ? 0.365524 0.97981  0.618227 -0.0456636  0.111759    -0.0392849  78  GLU A C    
1181 O O    . GLU A 78  ? 0.402518 0.98833  0.628923 -0.0598125  0.096996    -0.0517904  78  GLU A O    
1182 C CB   . GLU A 78  ? 0.466578 1.07545  0.687478 -0.0370834  0.117975    -0.0531047  78  GLU A CB   
1183 C CG   . GLU A 78  ? 0.532844 1.11823  0.767375 -0.0947065  0.0848158   -0.0349211  78  GLU A CG   
1184 C CD   . GLU A 78  ? 0.635002 1.13801  0.805555 -0.140471   0.0521006   0.00257379  78  GLU A CD   
1185 O OE1  . GLU A 78  ? 0.681131 1.13188  0.780134 -0.151551   0.0813389   -0.0006763  78  GLU A OE1  
1186 O OE2  . GLU A 78  ? 0.670229 1.13839  0.841935 -0.146015   0.0110354   0.0211416   78  GLU A OE2  
1187 H H    . GLU A 78  ? 0.881669 1.24333  0.958565 -0.0685839  0.173276    0.0264982   78  GLU A H    
1188 H HA   . GLU A 78  ? 0.525583 0.939743 0.629716 -0.115193   0.170858    0.0649967   78  GLU A HA   
1189 H HB2  . GLU A 78  ? 0.812824 1.28414  0.953728 -0.0767838  0.208046    0.0480615   78  GLU A HB2  
1190 H HB3  . GLU A 78  ? 0.783358 1.23308  0.945431 -0.060669   0.188715    0.0401364   78  GLU A HB3  
1191 H HG2  . GLU A 78  ? 0.495555 1.0432   0.727697 -0.0769859  0.202369    0.0678411   78  GLU A HG2  
1192 H HG3  . GLU A 78  ? 0.479682 0.980818 0.69467  -0.0954799  0.170147    0.0721767   78  GLU A HG3  
1193 N N    . GLY A 79  ? 0.3332   0.949922 0.587053 -0.0710625  0.112281    -0.00774851 79  GLY A N    
1194 C CA   . GLY A 79  ? 0.350883 0.868126 0.597357 -0.0863312  0.0741467   -0.0131812  79  GLY A CA   
1195 C C    . GLY A 79  ? 0.378336 0.82732  0.554897 -0.0831195  0.107439    -0.0150819  79  GLY A C    
1196 O O    . GLY A 79  ? 0.38476  0.791407 0.57142  -0.0835618  0.0908052   -0.0251619  79  GLY A O    
1197 H H    . GLY A 79  ? 0.508405 0.904554 0.629172 -0.143819   0.137783    0.0831594   79  GLY A H    
1198 H HA2  . GLY A 79  ? 0.486469 0.869354 0.63488  -0.161273   0.104908    0.0922895   79  GLY A HA2  
1199 H HA3  . GLY A 79  ? 0.461335 0.844525 0.625711 -0.129842   0.10593     0.0758274   79  GLY A HA3  
1200 N N    . ALA A 80  ? 0.412403 0.80436  0.513893 -0.0780039  0.120541    -0.0293032  80  ALA A N    
1201 C CA   . ALA A 80  ? 0.43724  0.755682 0.463691 -0.0973356  0.0882342   -0.0303867  80  ALA A CA   
1202 C C    . ALA A 80  ? 0.49896  0.78471  0.425217 -0.138974   0.093258    -0.0204404  80  ALA A C    
1203 O O    . ALA A 80  ? 0.531344 0.802674 0.437045 -0.152415   0.150232    -0.0333369  80  ALA A O    
1204 C CB   . ALA A 80  ? 0.419801 0.717507 0.421404 -0.0641538  0.0913597   -0.0353861  80  ALA A CB   
1205 H H    . ALA A 80  ? 0.505674 0.804976 0.570162 -0.136451   0.110926    0.0698112   80  ALA A H    
1206 H HA   . ALA A 80  ? 0.495501 0.707839 0.53603  -0.142354   0.0716428   0.0682851   80  ALA A HA   
1207 H HB1  . ALA A 80  ? 0.468345 0.691499 0.518471 -0.103626   0.08264     0.0436381   80  ALA A HB1  
1208 H HB2  . ALA A 80  ? 0.493373 0.719819 0.516208 -0.106721   0.095897    0.045186    80  ALA A HB2  
1209 H HB3  . ALA A 80  ? 0.487535 0.671191 0.499812 -0.111107   0.0751046   0.0478404   80  ALA A HB3  
1210 N N    . ARG A 81  ? 0.539811 0.750661 0.45383  -0.154993   0.0549996   -0.0164257  81  ARG A N    
1211 C CA   . ARG A 81  ? 0.588008 0.761153 0.516739 -0.199534   0.0504491   0.0274351   81  ARG A CA   
1212 C C    . ARG A 81  ? 0.561778 0.782177 0.471361 -0.200913   0.0488751   0.0471077   81  ARG A C    
1213 O O    . ARG A 81  ? 0.522392 0.686308 0.439409 -0.223414   0.0271839   0.0603906   81  ARG A O    
1214 C CB   . ARG A 81  ? 0.694391 0.757011 0.562247 -0.195459   0.0704991   0.0189401   81  ARG A CB   
1215 C CG   . ARG A 81  ? 0.856705 0.821491 0.70356  -0.121028   0.0434121   0.00860903  81  ARG A CG   
1216 C CD   . ARG A 81  ? 0.986309 0.857228 0.853311 -0.112609   0.00460632  -0.0453425  81  ARG A CD   
1217 N NE   . ARG A 81  ? 1.09064  0.890342 0.896058 -0.0313971  -0.0256987  -0.103826   81  ARG A NE   
1218 C CZ   . ARG A 81  ? 1.17311  0.957583 0.941273 0.0243807   -0.0506145  -0.134212   81  ARG A CZ   
1219 N NH1  . ARG A 81  ? 1.2325   0.967393 0.997585 0.0710654   -0.035698   -0.126654   81  ARG A NH1  
1220 N NH2  . ARG A 81  ? 1.16598  1.04415  0.970508 0.0568866   -0.0451183  -0.146247   81  ARG A NH2  
1221 H H    . ARG A 81  ? 0.530366 0.675813 0.514728 -0.150131   0.060853    0.0762388   81  ARG A H    
1222 H HA   . ARG A 81  ? 0.585143 0.746322 0.528609 -0.17235    0.0790692   0.0978979   81  ARG A HA   
1223 H HB2  . ARG A 81  ? 0.586737 0.684726 0.533171 -0.182639   0.0509693   0.10275     81  ARG A HB2  
1224 H HB3  . ARG A 81  ? 0.584645 0.65518  0.510315 -0.162328   0.0462492   0.0961565   81  ARG A HB3  
1225 H HG2  . ARG A 81  ? 0.641227 0.692775 0.527739 -0.184907   0.0475328   0.122426    81  ARG A HG2  
1226 H HG3  . ARG A 81  ? 0.637536 0.742537 0.539468 -0.196834   0.0648258   0.123786    81  ARG A HG3  
1227 H HD2  . ARG A 81  ? 0.68391  0.730323 0.570535 -0.228097   0.0474511   0.146795    81  ARG A HD2  
1228 H HD3  . ARG A 81  ? 0.64676  0.736122 0.570911 -0.225413   0.0528154   0.133833    81  ARG A HD3  
1229 H HE   . ARG A 81  ? 0.667773 0.651543 0.556004 -0.205143   0.0272792   0.13023     81  ARG A HE   
1230 H HH11 . ARG A 81  ? 0.694442 0.620932 0.579268 -0.221989   0.0120946   0.129002    81  ARG A HH11 
1231 H HH12 . ARG A 81  ? 0.675252 0.629045 0.584263 -0.233499   0.0107149   0.121006    81  ARG A HH12 
1232 H HH21 . ARG A 81  ? 0.609708 0.699712 0.569143 -0.218964   0.0407181   0.116755    81  ARG A HH21 
1233 H HH22 . ARG A 81  ? 0.622189 0.676507 0.579263 -0.231129   0.0259909   0.116102    81  ARG A HH22 
1234 N N    . VAL A 82  ? 0.517357 0.776905 0.428028 -0.235498   0.108497    0.111212    82  VAL A N    
1235 C CA   . VAL A 82  ? 0.528113 0.76727  0.441388 -0.210532   0.0576799   0.106916    82  VAL A CA   
1236 C C    . VAL A 82  ? 0.570652 0.774756 0.498843 -0.211396   0.0510675   0.122498    82  VAL A C    
1237 O O    . VAL A 82  ? 0.599995 0.797613 0.589208 -0.261977   0.0431008   0.153846    82  VAL A O    
1238 C CB   . VAL A 82  ? 0.513348 0.814735 0.417803 -0.223968   0.0848872   0.0908443   82  VAL A CB   
1239 C CG1  . VAL A 82  ? 0.551384 0.826867 0.407798 -0.229331   0.0741016   0.0629772   82  VAL A CG1  
1240 C CG2  . VAL A 82  ? 0.514665 0.824378 0.383735 -0.209797   0.101531    0.0898114   82  VAL A CG2  
1241 H H    . VAL A 82  ? 0.607327 0.754609 0.504733 -0.158915   0.0836937   0.09349     82  VAL A H    
1242 H HA   . VAL A 82  ? 0.572436 0.692245 0.465944 -0.121169   0.0701515   0.0644464   82  VAL A HA   
1243 H HB   . VAL A 82  ? 0.633761 0.789926 0.484543 -0.146342   0.0960694   0.0813887   82  VAL A HB   
1244 H HG11 . VAL A 82  ? 0.602577 0.731576 0.449927 -0.112738   0.0804164   0.0499715   82  VAL A HG11 
1245 H HG12 . VAL A 82  ? 0.638122 0.757448 0.455708 -0.129732   0.0760473   0.0713229   82  VAL A HG12 
1246 H HG13 . VAL A 82  ? 0.637689 0.788817 0.459521 -0.124311   0.0982548   0.054377    82  VAL A HG13 
1247 H HG21 . VAL A 82  ? 0.608099 0.807126 0.487358 -0.122541   0.120855    0.0504347   82  VAL A HG21 
1248 H HG22 . VAL A 82  ? 0.589054 0.789055 0.499253 -0.132641   0.111706    0.0635293   82  VAL A HG22 
1249 H HG23 . VAL A 82  ? 0.572037 0.750657 0.478063 -0.112419   0.103305    0.0455082   82  VAL A HG23 
1250 N N    . ALA A 83  ? 0.540634 0.731242 0.505351 -0.170276   0.0738446   0.124351    83  ALA A N    
1251 C CA   . ALA A 83  ? 0.561099 0.74509  0.474191 -0.164304   0.0359882   0.134483    83  ALA A CA   
1252 C C    . ALA A 83  ? 0.572693 0.741563 0.387703 -0.135216   0.0107874   0.122601    83  ALA A C    
1253 O O    . ALA A 83  ? 0.535032 0.751173 0.307593 -0.129053   0.0238407   0.122872    83  ALA A O    
1254 C CB   . ALA A 83  ? 0.558162 0.723193 0.501871 -0.113439   0.0076536   0.128335    83  ALA A CB   
1255 H H    . ALA A 83  ? 0.585969 0.660626 0.450229 -0.113593   0.0471109   0.0711492   83  ALA A H    
1256 H HA   . ALA A 83  ? 0.650069 0.683058 0.471848 -0.134671   0.0319154   0.111375    83  ALA A HA   
1257 H HB1  . ALA A 83  ? 0.609955 0.61779  0.472924 -0.121433   0.0234925   0.0994741   83  ALA A HB1  
1258 H HB2  . ALA A 83  ? 0.586425 0.603898 0.454637 -0.1035     0.0200948   0.0849605   83  ALA A HB2  
1259 H HB3  . ALA A 83  ? 0.624622 0.616527 0.470292 -0.111267   0.0117722   0.106948    83  ALA A HB3  
1260 N N    . GLY A 84  ? 0.576753 0.738541 0.492661 -0.141241   0.00372092  0.136338    84  GLY A N    
1261 C CA   . GLY A 84  ? 0.586006 0.79582  0.433946 -0.104259   -0.0306066  0.156039    84  GLY A CA   
1262 C C    . GLY A 84  ? 0.588159 0.801376 0.457157 -0.0822796  -0.0499551  0.128097    84  GLY A C    
1263 O O    . GLY A 84  ? 0.57157  0.830763 0.492254 -0.084488   -0.0569192  0.113454    84  GLY A O    
1264 H H    . GLY A 84  ? 0.678192 0.691156 0.468042 -0.12516    0.0117075   0.124331    84  GLY A H    
1265 H HA2  . GLY A 84  ? 0.673531 0.723419 0.439378 -0.117676   0.0148025   0.0976113   84  GLY A HA2  
1266 H HA3  . GLY A 84  ? 0.708483 0.739729 0.455833 -0.126925   0.00482084  0.125199    84  GLY A HA3  
1267 N N    . SER A 85  ? 0.573974 0.780982 0.43455  -0.0637003  -0.0450771  0.124694    85  SER A N    
1268 C CA   . SER A 85  ? 0.584996 0.755717 0.471407 -0.0698191  -0.0545721  0.153888    85  SER A CA   
1269 C C    . SER A 85  ? 0.584076 0.739138 0.472201 -0.0832256  -0.0429253  0.148426    85  SER A C    
1270 O O    . SER A 85  ? 0.603874 0.71523  0.426349 -0.0942302  -0.0563547  0.169878    85  SER A O    
1271 C CB   . SER A 85  ? 0.622568 0.758525 0.526067 -0.0414036  -0.0608413  0.163415    85  SER A CB   
1272 O OG   . SER A 85  ? 0.639656 0.699449 0.552172 0.0270532   -0.067553   0.169006    85  SER A OG   
1273 H H    . SER A 85  ? 0.635623 0.638263 0.456777 -0.0952193  -0.00601481 0.109058    85  SER A H    
1274 H HA   . SER A 85  ? 0.619624 0.63357  0.44994  -0.0748453  -0.0282351  0.103197    85  SER A HA   
1275 H HB2  . SER A 85  ? 0.651505 0.638461 0.484838 -0.063101   -0.0489326  0.136977    85  SER A HB2  
1276 H HB3  . SER A 85  ? 0.681834 0.673567 0.480091 -0.0823653  -0.043726   0.143756    85  SER A HB3  
1278 N N    . LEU A 86  ? 0.617234 0.742362 0.483098 -0.0925383  -0.0452999  0.123679    86  LEU A N    
1279 C CA   . LEU A 86  ? 0.616235 0.719152 0.464273 -0.0701596  -0.00225173 0.13657     86  LEU A CA   
1280 C C    . LEU A 86  ? 0.626704 0.706253 0.471325 -0.0564066  -0.0291657  0.142187    86  LEU A C    
1281 O O    . LEU A 86  ? 0.63471  0.72705  0.462533 -0.0723336  -0.0264467  0.118995    86  LEU A O    
1282 C CB   . LEU A 86  ? 0.585037 0.749548 0.567335 -0.0658717  0.0252149   0.113443    86  LEU A CB   
1283 C CG   . LEU A 86  ? 0.578018 0.701197 0.51553  -0.0392114  0.108781    0.140807    86  LEU A CG   
1284 C CD1  . LEU A 86  ? 0.520885 0.679763 0.572923 -0.0341247  0.14434     0.124717    86  LEU A CD1  
1285 C CD2  . LEU A 86  ? 0.591317 0.742871 0.604736 -0.0240854  0.132025    0.11275     86  LEU A CD2  
1286 H H    . LEU A 86  ? 0.589063 0.582172 0.465769 -0.0490057  -0.0367794  0.104377    86  LEU A H    
1287 H HA   . LEU A 86  ? 0.556601 0.52982  0.457167 -0.0495536  -0.0168596  0.0839466   86  LEU A HA   
1288 H HB2  . LEU A 86  ? 0.536208 0.531243 0.456431 -0.0311264  -0.0304268  0.0804214   86  LEU A HB2  
1289 H HB3  . LEU A 86  ? 0.559243 0.528819 0.482763 -0.0206821  -0.035879   0.0983962   86  LEU A HB3  
1290 H HG   . LEU A 86  ? 0.53735  0.486625 0.466927 -0.0293129  -0.0171127  0.0764448   86  LEU A HG   
1291 H HD11 . LEU A 86  ? 0.502592 0.495559 0.436232 -0.0367773  -0.0119017  0.0556924   86  LEU A HD11 
1292 H HD12 . LEU A 86  ? 0.487474 0.467392 0.440196 -0.025348   -0.0111904  0.0504219   86  LEU A HD12 
1293 H HD13 . LEU A 86  ? 0.490773 0.489847 0.439674 -0.0239536  -0.0194121  0.0548026   86  LEU A HD13 
1294 H HD21 . LEU A 86  ? 0.549864 0.484227 0.496669 -0.00321375 -0.026018   0.0893393   86  LEU A HD21 
1295 H HD22 . LEU A 86  ? 0.521076 0.491339 0.481548 -0.00155271 -0.0295018  0.0805992   86  LEU A HD22 
1296 H HD23 . LEU A 86  ? 0.51574  0.463523 0.476391 -0.00344037 -0.0188549  0.069568    86  LEU A HD23 
1297 N N    . GLU A 87  ? 0.651945 0.684954 0.52508  -0.018514   -0.0603835  0.139948    87  GLU A N    
1298 C CA   . GLU A 87  ? 0.69085  0.655712 0.591174 -0.0137899  -0.0627677  0.1315      87  GLU A CA   
1299 C C    . GLU A 87  ? 0.673473 0.62783  0.585275 0.0115015   -0.032445   0.129258    87  GLU A C    
1300 O O    . GLU A 87  ? 0.595759 0.645886 0.570786 0.0578018   -0.0436039  0.127264    87  GLU A O    
1301 C CB   . GLU A 87  ? 0.783129 0.684971 0.652743 -0.0181547  -0.104374   0.171688    87  GLU A CB   
1302 C CG   . GLU A 87  ? 0.81195  0.68966  0.7178   -0.0167444  -0.084935   0.142757    87  GLU A CG   
1303 C CD   . GLU A 87  ? 0.824762 0.726273 0.669634 -0.0626847  -0.0645942  0.0718123   87  GLU A CD   
1304 O OE1  . GLU A 87  ? 0.865035 0.798485 0.611025 -0.0597146  -0.0708534  0.0716944   87  GLU A OE1  
1305 O OE2  . GLU A 87  ? 0.82565  0.666628 0.708162 -0.0665008  -0.0632746  0.0433942   87  GLU A OE2  
1306 H H    . GLU A 87  ? 0.631727 0.570935 0.506347 -0.0415351  -0.0407619  0.132891    87  GLU A H    
1307 H HA   . GLU A 87  ? 0.656141 0.526215 0.543108 -0.0264571  -0.0347667  0.137223    87  GLU A HA   
1308 H HB2  . GLU A 87  ? 0.704428 0.594807 0.553901 -0.0414275  -0.0519563  0.172569    87  GLU A HB2  
1309 H HB3  . GLU A 87  ? 0.721955 0.568608 0.58199  -0.0272583  -0.0500365  0.1766      87  GLU A HB3  
1310 H HG2  . GLU A 87  ? 0.704432 0.599117 0.587772 -0.00561137 -0.0677278  0.185928    87  GLU A HG2  
1311 H HG3  . GLU A 87  ? 0.675478 0.559632 0.578863 0.00263902  -0.0548485  0.163989    87  GLU A HG3  
1312 N N    . ALA A 88  ? 0.729777 0.604592 0.501692 -0.0547835  -0.0007007  0.136791    88  ALA A N    
1313 C CA   . ALA A 88  ? 0.76732  0.591802 0.509348 -0.0958275  0.00021314  0.147307    88  ALA A CA   
1314 C C    . ALA A 88  ? 0.767029 0.539024 0.468184 -0.103324   0.0203956   0.164833    88  ALA A C    
1315 O O    . ALA A 88  ? 0.79252  0.503237 0.468103 -0.145965   0.0455851   0.197809    88  ALA A O    
1316 C CB   . ALA A 88  ? 0.796085 0.609896 0.453683 -0.123298   -0.00395938 0.144773    88  ALA A CB   
1317 H H    . ALA A 88  ? 0.672199 0.588031 0.512176 -0.071977   -0.0293771  0.144715    88  ALA A H    
1318 H HA   . ALA A 88  ? 0.719853 0.587488 0.540048 -0.0995957  -0.020239   0.159592    88  ALA A HA   
1319 H HB1  . ALA A 88  ? 0.716237 0.639576 0.515274 -0.107538   -0.0195908  0.16157     88  ALA A HB1  
1320 H HB2  . ALA A 88  ? 0.669834 0.62012  0.49168  -0.102935   -0.00984001 0.13542     88  ALA A HB2  
1321 H HB3  . ALA A 88  ? 0.702276 0.633205 0.510749 -0.121551   -0.00559381 0.15059     88  ALA A HB3  
1322 N N    . ALA A 89  ? 0.705265 0.535244 0.500846 -0.108424   0.0121079   0.118019    89  ALA A N    
1323 C CA   . ALA A 89  ? 0.67722  0.46049  0.500305 -0.117805   0.00020515  0.130767    89  ALA A CA   
1324 C C    . ALA A 89  ? 0.65739  0.409021 0.496297 -0.12179    -0.0217871  0.121716    89  ALA A C    
1325 O O    . ALA A 89  ? 0.651341 0.350197 0.50209  -0.187129   -0.0121608  0.133117    89  ALA A O    
1326 C CB   . ALA A 89  ? 0.662938 0.432321 0.552138 -0.132534   -0.022865   0.0761892   89  ALA A CB   
1327 H H    . ALA A 89  ? 0.616972 0.548689 0.486056 -0.0771966  -0.0108081  0.110027    89  ALA A H    
1328 H HA   . ALA A 89  ? 0.597523 0.544504 0.481095 -0.10061    0.00586764  0.0951092   89  ALA A HA   
1329 H HB1  . ALA A 89  ? 0.55876  0.534785 0.454895 -0.0765811  0.00279078  0.077996    89  ALA A HB1  
1330 H HB2  . ALA A 89  ? 0.558581 0.505405 0.464193 -0.0637141  -0.00419696 0.0791277   89  ALA A HB2  
1331 H HB3  . ALA A 89  ? 0.544085 0.508237 0.457062 -0.0761014  0.00507887  0.0696765   89  ALA A HB3  
1332 N N    . LEU A 90  ? 0.657457 0.440614 0.494816 -0.0913587  -0.034442   0.105045    90  LEU A N    
1333 C CA   . LEU A 90  ? 0.708839 0.445583 0.554688 -0.0822519  -0.008293   0.0954601   90  LEU A CA   
1334 C C    . LEU A 90  ? 0.779671 0.467713 0.617267 -0.115688   -0.00271295 0.0781539   90  LEU A C    
1335 O O    . LEU A 90  ? 0.773991 0.495158 0.636782 -0.113615   0.00281735  0.0456659   90  LEU A O    
1336 C CB   . LEU A 90  ? 0.735619 0.447315 0.605253 -0.0370067  0.0123212   0.101304    90  LEU A CB   
1337 C CG   . LEU A 90  ? 0.690001 0.441423 0.595202 -0.00683732 0.0391446   0.094423    90  LEU A CG   
1338 C CD1  . LEU A 90  ? 0.710758 0.505358 0.652904 0.0212165   0.0418989   0.0944972   90  LEU A CD1  
1339 C CD2  . LEU A 90  ? 0.711316 0.339597 0.608664 0.00818595  0.0483974   0.108973    90  LEU A CD2  
1340 H H    . LEU A 90  ? 0.615768 0.496827 0.504054 -0.0618139  -0.01195    0.102081    90  LEU A H    
1341 H HA   . LEU A 90  ? 0.622537 0.457247 0.515284 -0.0663412  -0.00632161 0.0855218   90  LEU A HA   
1342 H HB2  . LEU A 90  ? 0.65575  0.474967 0.54317  -0.0377903  -0.0176713  0.112253    90  LEU A HB2  
1343 H HB3  . LEU A 90  ? 0.663881 0.449221 0.551461 -0.0355854  -0.0120553  0.0997995   90  LEU A HB3  
1344 H HG   . LEU A 90  ? 0.584337 0.461718 0.500811 -0.0318984  -0.0125225  0.0854401   90  LEU A HG   
1345 H HD11 . LEU A 90  ? 0.617561 0.46889  0.539357 -0.00331702 -0.0211123  0.105008    90  LEU A HD11 
1346 H HD12 . LEU A 90  ? 0.581613 0.448879 0.520824 0.0019464   -0.0145922  0.085166    90  LEU A HD12 
1347 H HD13 . LEU A 90  ? 0.626958 0.443909 0.549511 0.00316069  -0.0131121  0.0938757   90  LEU A HD13 
1348 H HD21 . LEU A 90  ? 0.576446 0.434691 0.494661 -0.0430344  -0.00423983 0.0665946   90  LEU A HD21 
1349 H HD22 . LEU A 90  ? 0.607954 0.422636 0.519511 -0.0288009  -0.00440296 0.0699471   90  LEU A HD22 
1350 H HD23 . LEU A 90  ? 0.564089 0.424519 0.496302 -0.0205254  -0.00467118 0.0627264   90  LEU A HD23 
1351 N N    . ALA A 91  ? 0.816281 0.462664 0.651104 -0.138865   0.005017    0.107628    91  ALA A N    
1352 C CA   . ALA A 91  ? 0.857796 0.458112 0.712214 -0.157224   -0.0030348  0.0992911   91  ALA A CA   
1353 C C    . ALA A 91  ? 0.845406 0.416486 0.736302 -0.169262   -0.00609805 0.0548122   91  ALA A C    
1354 O O    . ALA A 91  ? 0.862407 0.264805 0.813112 -0.221796   0.029291    0.115846    91  ALA A O    
1355 C CB   . ALA A 91  ? 0.885269 0.457131 0.738623 -0.172728   -0.00374539 0.16067     91  ALA A CB   
1356 H H    . ALA A 91  ? 0.694863 0.513428 0.547439 -0.0858074  -0.0145195  0.130028    91  ALA A H    
1357 H HA   . ALA A 91  ? 0.77402  0.49723  0.598665 -0.102971   -0.0161401  0.140415    91  ALA A HA   
1358 H HB1  . ALA A 91  ? 0.786152 0.536431 0.600267 -0.0972839  -0.0233481  0.16742     91  ALA A HB1  
1359 H HB2  . ALA A 91  ? 0.759822 0.556585 0.575951 -0.119082   -0.0157324  0.160929    91  ALA A HB2  
1360 H HB3  . ALA A 91  ? 0.811325 0.547814 0.610797 -0.127383   -0.0191596  0.17206     91  ALA A HB3  
1361 N N    . TYR A 92  ? 0.831451 0.44703  0.706901 -0.14943    0.00566607  0.0325507   92  TYR A N    
1362 C CA   . TYR A 92  ? 0.873857 0.538399 0.704814 -0.157865   0.022481    0.025305    92  TYR A CA   
1363 C C    . TYR A 92  ? 0.809108 0.539843 0.691795 -0.180525   0.0368226   0.0151487   92  TYR A C    
1364 O O    . TYR A 92  ? 0.80332  0.596009 0.727113 -0.256134   0.00344966  -0.0241211  92  TYR A O    
1365 C CB   . TYR A 92  ? 0.931174 0.522081 0.674573 -0.16123    0.0574959   0.0330389   92  TYR A CB   
1366 C CG   . TYR A 92  ? 1.04776  0.575458 0.684349 -0.147473   0.0691224   0.0729178   92  TYR A CG   
1367 C CD1  . TYR A 92  ? 1.1397   0.607119 0.687018 -0.129696   0.076584    0.122025    92  TYR A CD1  
1368 C CD2  . TYR A 92  ? 1.09484  0.591495 0.645789 -0.124257   0.0503191   0.0763972   92  TYR A CD2  
1369 C CE1  . TYR A 92  ? 1.17916  0.678711 0.677822 -0.134752   0.111994    0.127911    92  TYR A CE1  
1370 C CE2  . TYR A 92  ? 1.12797  0.626889 0.650205 -0.132998   0.111959    0.119854    92  TYR A CE2  
1371 C CZ   . TYR A 92  ? 1.19078  0.603062 0.671769 -0.14252    0.12909     0.146276    92  TYR A CZ   
1372 O OH   . TYR A 92  ? 1.28524  0.603852 0.724111 -0.145769   0.189758    0.109411    92  TYR A OH   
1373 H H    . TYR A 92  ? 0.683876 0.537069 0.537686 -0.127157   -0.00244317 0.12322     92  TYR A H    
1374 H HA   . TYR A 92  ? 0.72365  0.565625 0.568909 -0.176005   0.00132969  0.133657    92  TYR A HA   
1375 H HB2  . TYR A 92  ? 0.633679 0.559623 0.516817 -0.144545   0.0110805   0.10602     92  TYR A HB2  
1376 H HB3  . TYR A 92  ? 0.650354 0.582045 0.53572  -0.171141   0.0137679   0.112887    92  TYR A HB3  
1377 H HD1  . TYR A 92  ? 0.728634 0.635328 0.571316 -0.203405   0.0148595   0.151201    92  TYR A HD1  
1378 H HD2  . TYR A 92  ? 0.631025 0.601045 0.501523 -0.140662   0.0194629   0.111771    92  TYR A HD2  
1379 H HE1  . TYR A 92  ? 0.755103 0.698601 0.573116 -0.216642   0.0261569   0.172305    92  TYR A HE1  
1380 H HE2  . TYR A 92  ? 0.664128 0.663419 0.502871 -0.154532   0.0289565   0.127793    92  TYR A HE2  
1382 N N    . ALA A 93  ? 0.791365 0.424564 0.657625 -0.159746   0.057272    0.0231416   93  ALA A N    
1383 C CA   . ALA A 93  ? 0.771614 0.4193   0.670262 -0.144485   0.0286172   0.0121542   93  ALA A CA   
1384 C C    . ALA A 93  ? 0.775085 0.460121 0.675401 -0.177441   0.00216762  -0.00089443 93  ALA A C    
1385 O O    . ALA A 93  ? 0.791278 0.479934 0.639073 -0.145528   0.0163287   -0.0247256  93  ALA A O    
1386 C CB   . ALA A 93  ? 0.75186  0.430378 0.599808 -0.113809   0.0335499   -0.0185188  93  ALA A CB   
1387 H H    . ALA A 93  ? 0.669718 0.491641 0.53891  -0.12352    -0.00355795 0.0988582   93  ALA A H    
1388 H HA   . ALA A 93  ? 0.644991 0.486103 0.533013 -0.144672   -0.00308183 0.0781944   93  ALA A HA   
1389 H HB1  . ALA A 93  ? 0.619475 0.453644 0.51351  -0.101935   -0.00214902 0.0695388   93  ALA A HB1  
1390 H HB2  . ALA A 93  ? 0.670021 0.445178 0.540922 -0.101294   -0.00524635 0.077252    93  ALA A HB2  
1391 H HB3  . ALA A 93  ? 0.646179 0.440817 0.52776  -0.110817   -0.00449158 0.0627724   93  ALA A HB3  
1392 N N    . GLY A 94  ? 0.785827 0.456372 0.754384 -0.17827    0.0125933   0.0222564   94  GLY A N    
1393 C CA   . GLY A 94  ? 0.830141 0.523558 0.811489 -0.184701   0.00450514  -0.0375046  94  GLY A CA   
1394 C C    . GLY A 94  ? 0.823046 0.636771 0.825983 -0.158092   -0.0110765  -0.0597034  94  GLY A C    
1395 O O    . GLY A 94  ? 0.802257 0.649573 0.8613   -0.102301   -0.0110278  -0.0500415  94  GLY A O    
1396 H H    . GLY A 94  ? 0.755793 0.485228 0.588609 -0.148352   -0.0100118  0.109068    94  GLY A H    
1397 H HA2  . GLY A 94  ? 0.842702 0.491474 0.637755 -0.180366   -0.0160404  0.120741    94  GLY A HA2  
1398 H HA3  . GLY A 94  ? 0.815542 0.498027 0.624962 -0.198912   -0.0164412  0.107514    94  GLY A HA3  
1399 N N    . SER A 95  ? 0.842078 0.551915 0.845645 -0.180788   -0.0187805  -0.0653362  95  SER A N    
1400 C CA   . SER A 95  ? 0.86894  0.477944 0.833312 -0.157605   -0.0220747  -0.0536907  95  SER A CA   
1401 C C    . SER A 95  ? 0.837054 0.445914 0.77274  -0.113486   -0.0267643  -0.0700554  95  SER A C    
1402 O O    . SER A 95  ? 0.873773 0.441774 0.804846 -0.0767493  -0.00599192 -0.104677   95  SER A O    
1403 C CB   . SER A 95  ? 0.891852 0.549778 0.880154 -0.195378   -0.0525254  -0.0566707  95  SER A CB   
1404 O OG   . SER A 95  ? 0.860133 0.574983 0.862519 -0.249484   -0.0714829  -0.0319961  95  SER A OG   
1405 H H    . SER A 95  ? 0.87488  0.474009 0.651322 -0.208052   -0.022526   0.0904265   95  SER A H    
1406 H HA   . SER A 95  ? 0.922649 0.425144 0.670464 -0.155781   -0.0150713  0.0738757   95  SER A HA   
1407 H HB2  . SER A 95  ? 1.00306  0.431605 0.703984 -0.198506   -0.0227735  0.0606126   95  SER A HB2  
1408 H HB3  . SER A 95  ? 1.00061  0.452413 0.711562 -0.214488   -0.0261844  0.0841021   95  SER A HB3  
1410 N N    . ASP A 96  ? 0.747309 0.417455 0.674639 -0.125901   -0.0202444  -0.0424315  96  ASP A N    
1411 C CA   . ASP A 96  ? 0.672324 0.399774 0.666014 -0.145927   -0.00617325 -0.030888   96  ASP A CA   
1412 C C    . ASP A 96  ? 0.695845 0.411029 0.65365  -0.112023   -0.00829784 -0.0247423  96  ASP A C    
1413 O O    . ASP A 96  ? 0.648961 0.404079 0.666491 -0.0718656  -0.0175858  0.0374349   96  ASP A O    
1414 C CB   . ASP A 96  ? 0.589958 0.386606 0.655692 -0.135317   0.0048593   -0.00407019 96  ASP A CB   
1415 C CG   . ASP A 96  ? 0.580428 0.378409 0.627987 -0.129697   0.00768564  -0.0163686  96  ASP A CG   
1416 O OD1  . ASP A 96  ? 0.564191 0.348919 0.628872 -0.135734   0.00863091  -0.0706225  96  ASP A OD1  
1417 O OD2  . ASP A 96  ? 0.571521 0.386314 0.619334 -0.10014    0.0316907   -0.00821639 96  ASP A OD2  
1418 H H    . ASP A 96  ? 0.786934 0.442052 0.598532 -0.163038   -0.0153156  0.0632125   96  ASP A H    
1419 H HA   . ASP A 96  ? 0.779075 0.429394 0.583629 -0.167405   -0.0185304  0.0338211   96  ASP A HA   
1420 H HB2  . ASP A 96  ? 0.701913 0.449767 0.555882 -0.163939   -0.0159026  0.047825    96  ASP A HB2  
1421 H HB3  . ASP A 96  ? 0.693411 0.429229 0.548407 -0.13295    -0.00972578 0.0475597   96  ASP A HB3  
1422 N N    . PRO A 97  ? 0.73715  0.40932  0.662282 -0.119414   0.00873186  -0.0325752  97  PRO A N    
1423 C CA   . PRO A 97  ? 0.750602 0.367967 0.670326 -0.0971541  0.0196793   -0.0364129  97  PRO A CA   
1424 C C    . PRO A 97  ? 0.678009 0.345715 0.630439 -0.0769701  0.0268885   -0.0490253  97  PRO A C    
1425 O O    . PRO A 97  ? 0.661181 0.304625 0.605539 -0.0580788  0.038116    -0.0813955  97  PRO A O    
1426 C CB   . PRO A 97  ? 0.8118   0.417832 0.709182 -0.0859921  0.0308576   -0.0834865  97  PRO A CB   
1427 C CG   . PRO A 97  ? 0.803131 0.459061 0.712405 -0.10852    0.00771176  -0.0594032  97  PRO A CG   
1428 C CD   . PRO A 97  ? 0.756947 0.453999 0.666124 -0.13115    -0.00179837 -0.0250065  97  PRO A CD   
1429 H HA   . PRO A 97  ? 0.840551 0.375933 0.609639 -0.0857357  0.00663606  0.0107353   97  PRO A HA   
1430 H HB2  . PRO A 97  ? 0.857854 0.37472  0.596655 -0.0945754  0.00994461  -0.0199367  97  PRO A HB2  
1431 H HB3  . PRO A 97  ? 0.904985 0.382175 0.623437 -0.118511   0.00213918  -0.0102465  97  PRO A HB3  
1432 H HG2  . PRO A 97  ? 0.788499 0.39297  0.560573 -0.127842   -0.00680711 -0.0129585  97  PRO A HG2  
1433 H HG3  . PRO A 97  ? 0.859119 0.402411 0.590145 -0.154312   -0.0127381  -0.0163107  97  PRO A HG3  
1434 H HD2  . PRO A 97  ? 0.773244 0.414993 0.567479 -0.156833   -0.0174899  0.00985249  97  PRO A HD2  
1435 H HD3  . PRO A 97  ? 0.847078 0.413873 0.602146 -0.168049   -0.0180977  0.0103557   97  PRO A HD3  
1436 N N    . ALA A 98  ? 0.648723 0.324891 0.631909 -0.0946035  0.0327175   -0.0422132  98  ALA A N    
1437 C CA   . ALA A 98  ? 0.584789 0.334904 0.541445 -0.090682   0.0328944   -0.022318   98  ALA A CA   
1438 C C    . ALA A 98  ? 0.5236   0.339472 0.480824 -0.10476    0.032609    -0.0104432  98  ALA A C    
1439 O O    . ALA A 98  ? 0.487914 0.405314 0.481957 -0.0926149  0.0161954   -0.0387658  98  ALA A O    
1440 C CB   . ALA A 98  ? 0.610931 0.381757 0.525169 -0.0963003  0.0363894   -0.0450519  98  ALA A CB   
1441 H H    . ALA A 98  ? 0.705722 0.386464 0.537252 -0.0977124  -0.00154219 0.00744362  98  ALA A H    
1442 H HA   . ALA A 98  ? 0.659823 0.367185 0.519551 -0.0460146  0.0130535   -6.588e-05  98  ALA A HA   
1443 H HB1  . ALA A 98  ? 0.869205 0.540485 0.691768 -0.0642231  0.0129257   -0.0203182  98  ALA A HB1  
1444 H HB2  . ALA A 98  ? 0.837713 0.551363 0.676513 -0.0870429  0.00144198  -0.0143365  98  ALA A HB2  
1445 H HB3  . ALA A 98  ? 0.806395 0.541004 0.664969 -0.0590662  0.0103873   -0.0162032  98  ALA A HB3  
1446 N N    . PRO A 99  ? 0.529488 0.315665 0.486155 -0.0870412  0.00185107  0.00451951  99  PRO A N    
1447 C CA   . PRO A 99  ? 0.512083 0.347817 0.436349 -0.0788171  -0.00484055 0.0247927   99  PRO A CA   
1448 C C    . PRO A 99  ? 0.509308 0.28855  0.394657 -0.0645377  -0.0205145  0.0213635   99  PRO A C    
1449 O O    . PRO A 99  ? 0.524571 0.244599 0.443754 -0.0441731  -0.0246378  0.0362631   99  PRO A O    
1450 C CB   . PRO A 99  ? 0.544514 0.370445 0.454303 -0.0691781  0.0167355   0.0533269   99  PRO A CB   
1451 C CG   . PRO A 99  ? 0.572998 0.366874 0.452372 -0.0510832  0.0385731   0.0495971   99  PRO A CG   
1452 C CD   . PRO A 99  ? 0.594029 0.353045 0.50842  -0.0693262  0.0080964   0.0212611   99  PRO A CD   
1453 H HA   . PRO A 99  ? 0.559679 0.402332 0.477838 -0.0814341  -0.00114192 0.0212557   99  PRO A HA   
1454 H HB2  . PRO A 99  ? 0.55457  0.406221 0.479052 -0.059719   0.00152975  0.0360934   99  PRO A HB2  
1455 H HB3  . PRO A 99  ? 0.588445 0.413517 0.495485 -0.0817679  -0.00089922 0.0396374   99  PRO A HB3  
1456 H HG2  . PRO A 99  ? 0.598422 0.389536 0.506261 -0.0374755  0.00429347  0.0365111   99  PRO A HG2  
1457 H HG3  . PRO A 99  ? 0.633516 0.399864 0.522564 -0.0574491  0.00076631  0.046475    99  PRO A HG3  
1458 H HD2  . PRO A 99  ? 0.650632 0.376731 0.527054 -0.0438916  0.00810575  0.0230102   99  PRO A HD2  
1459 H HD3  . PRO A 99  ? 0.66655  0.388476 0.531769 -0.0722967  0.00159977  0.0293226   99  PRO A HD3  
1460 N N    . TRP A 100 ? 0.459586 0.305473 0.387549 -0.0797381  -0.0223787  0.0292093   100 TRP A N    
1461 C CA   . TRP A 100 ? 0.440423 0.285748 0.384223 -0.0647517  0.0104774   0.0265831   100 TRP A CA   
1462 C C    . TRP A 100 ? 0.419135 0.29572  0.420596 -0.0883803  0.0106015   0.020004    100 TRP A C    
1463 O O    . TRP A 100 ? 0.442966 0.361435 0.412372 -0.139867   0.0496339   0.00134841  100 TRP A O    
1464 C CB   . TRP A 100 ? 0.429215 0.246202 0.423186 -0.0603114  -0.0178638  0.0104989   100 TRP A CB   
1465 C CG   . TRP A 100 ? 0.459919 0.264442 0.407277 -0.0585705  -0.0200847  0.0111448   100 TRP A CG   
1466 C CD1  . TRP A 100 ? 0.480888 0.316873 0.418494 -0.110619   -0.028721   0.0120208   100 TRP A CD1  
1467 C CD2  . TRP A 100 ? 0.446404 0.267501 0.404676 -0.0480608  -0.019181   0.0213077   100 TRP A CD2  
1468 N NE1  . TRP A 100 ? 0.513537 0.318972 0.457844 -0.107672   -0.0247231  -0.0100608  100 TRP A NE1  
1469 C CE2  . TRP A 100 ? 0.497027 0.293355 0.436452 -0.0699703  -0.00060002 0.02727     100 TRP A CE2  
1470 C CE3  . TRP A 100 ? 0.424392 0.315229 0.419522 -0.00505713 -0.00032753 8.85e-05    100 TRP A CE3  
1471 C CZ2  . TRP A 100 ? 0.525806 0.321316 0.44667  -0.0668866  0.0170758   -0.00652547 100 TRP A CZ2  
1472 C CZ3  . TRP A 100 ? 0.397625 0.31757  0.450032 -0.0206258  0.00976565  -0.00099006 100 TRP A CZ3  
1473 C CH2  . TRP A 100 ? 0.436606 0.39991  0.424808 -0.0436723  -0.0145606  -0.0277062  100 TRP A CH2  
1474 H H    . TRP A 100 ? 0.496808 0.403375 0.449608 -0.066136   0.00178509  0.01639     100 TRP A H    
1475 H HA   . TRP A 100 ? 0.469884 0.379244 0.435526 -0.0327204  0.00637811  0.00617072  100 TRP A HA   
1476 H HB2  . TRP A 100 ? 0.453368 0.39716  0.43024  -0.0586684  0.00122024  0.00355857  100 TRP A HB2  
1477 H HB3  . TRP A 100 ? 0.43359  0.384522 0.419358 -0.0414223  0.00404461  -0.00146228 100 TRP A HB3  
1478 H HD1  . TRP A 100 ? 0.510489 0.39181  0.448197 -0.0749028  -0.00343817 -0.00125043 100 TRP A HD1  
1479 H HE1  . TRP A 100 ? 0.544466 0.377991 0.450845 -0.0666027  0.0007816   -0.0154845  100 TRP A HE1  
1480 H HE3  . TRP A 100 ? 0.433468 0.365681 0.416918 -0.01973    0.00943796  -0.00859441 100 TRP A HE3  
1481 H HZ2  . TRP A 100 ? 0.535733 0.365079 0.442436 -0.0349008  0.0157024   -0.0263117  100 TRP A HZ2  
1482 H HZ3  . TRP A 100 ? 0.442744 0.360055 0.420909 -0.00573282 0.0177466   -0.0150585  100 TRP A HZ3  
1483 H HH2  . TRP A 100 ? 0.492562 0.361138 0.432572 -0.0102343  0.0240487   -0.0242166  100 TRP A HH2  
1484 N N    . VAL A 101 ? 0.341378 0.343361 0.397206 -0.0231065  -0.00280636 0.0373277   101 VAL A N    
1485 C CA   . VAL A 101 ? 0.384356 0.326571 0.382218 -0.0433387  -0.00199924 0.0334283   101 VAL A CA   
1486 C C    . VAL A 101 ? 0.380564 0.319902 0.363929 -0.0547836  -0.0210139  0.00611565  101 VAL A C    
1487 O O    . VAL A 101 ? 0.391453 0.277697 0.326567 -0.0632036  -0.0204913  -0.0325952  101 VAL A O    
1488 C CB   . VAL A 101 ? 0.406937 0.329766 0.372028 -0.0317281  -0.0159601  0.0514189   101 VAL A CB   
1489 C CG1  . VAL A 101 ? 0.421176 0.390778 0.416819 -0.0479261  0.0126736   0.0499377   101 VAL A CG1  
1490 C CG2  . VAL A 101 ? 0.394599 0.351486 0.403195 -0.0166802  0.00664829  0.0858525   101 VAL A CG2  
1491 H H    . VAL A 101 ? 0.440647 0.385316 0.425115 -0.0204207  0.00603115  0.00874325  101 VAL A H    
1492 H HA   . VAL A 101 ? 0.427136 0.413092 0.415217 -0.031934   0.00635418  0.0117595   101 VAL A HA   
1493 H HB   . VAL A 101 ? 0.424639 0.398562 0.421425 -0.00936893 0.00223203  0.0130922   101 VAL A HB   
1494 H HG11 . VAL A 101 ? 0.423473 0.428961 0.410009 -0.0231274  0.00172762  0.0130191   101 VAL A HG11 
1495 H HG12 . VAL A 101 ? 0.406708 0.413981 0.407387 -0.0148904  0.0006869   0.00624164  101 VAL A HG12 
1496 H HG13 . VAL A 101 ? 0.425528 0.426478 0.417376 -0.0132651  -0.00406547 0.0183479   101 VAL A HG13 
1497 H HG21 . VAL A 101 ? 0.458504 0.419587 0.438068 -0.0113172  -0.00303511 0.0316368   101 VAL A HG21 
1498 H HG22 . VAL A 101 ? 0.464541 0.404922 0.439367 -0.0167489  0.00158525  0.0263199   101 VAL A HG22 
1499 H HG23 . VAL A 101 ? 0.459933 0.422764 0.431308 -0.0260582  0.00057718  0.0289822   101 VAL A HG23 
1500 N N    . ILE A 102 ? 0.354958 0.362342 0.326003 -0.0674627  -0.00823402 -0.0107237  102 ILE A N    
1501 C CA   . ILE A 102 ? 0.363518 0.390866 0.34416  -0.0673439  -0.0198709  -0.00856491 102 ILE A CA   
1502 C C    . ILE A 102 ? 0.340071 0.380756 0.347883 -0.0725893  0.0256246   -0.00961586 102 ILE A C    
1503 O O    . ILE A 102 ? 0.322491 0.3623   0.353154 -0.0640942  0.0342676   0.00329053  102 ILE A O    
1504 C CB   . ILE A 102 ? 0.348339 0.406363 0.341532 -0.0771787  0.0133032   0.00815361  102 ILE A CB   
1505 C CG1  . ILE A 102 ? 0.372058 0.428613 0.333535 -0.0714047  0.014289    -0.00813888 102 ILE A CG1  
1506 C CG2  . ILE A 102 ? 0.366242 0.414024 0.296916 -0.0876663  -0.00153429 0.00874475  102 ILE A CG2  
1507 C CD1  . ILE A 102 ? 0.32665  0.397849 0.353184 -0.0809854  0.0598605   0.00688541  102 ILE A CD1  
1508 H H    . ILE A 102 ? 0.401241 0.41908  0.405059 -0.0299303  0.0105864   -0.00023082 102 ILE A H    
1509 H HA   . ILE A 102 ? 0.376534 0.394007 0.400119 -0.0205267  0.00874443  -0.01126    102 ILE A HA   
1510 H HB   . ILE A 102 ? 0.372285 0.414101 0.410068 -0.0264928  0.0126762   -0.0115541  102 ILE A HB   
1511 H HG12 . ILE A 102 ? 0.395981 0.443503 0.415432 -0.0399072  0.0184459   -0.00141987 102 ILE A HG12 
1512 H HG13 . ILE A 102 ? 0.38591  0.442496 0.412258 -0.0292521  0.0215662   -0.0107678  102 ILE A HG13 
1513 H HG21 . ILE A 102 ? 0.514218 0.545057 0.542285 -0.0442095  0.00836991  -0.0018361  102 ILE A HG21 
1514 H HG22 . ILE A 102 ? 0.525201 0.536821 0.537579 -0.0415439  0.0088597   0.00022732  102 ILE A HG22 
1515 H HG23 . ILE A 102 ? 0.513179 0.523293 0.533084 -0.0351331  0.00661204  -0.00568742 102 ILE A HG23 
1516 H HD11 . ILE A 102 ? 0.498003 0.577936 0.553319 -0.0300274  0.0225089   -0.00923114 102 ILE A HD11 
1517 H HD12 . ILE A 102 ? 0.510749 0.599373 0.556918 -0.038413   0.0284803   -0.00433531 102 ILE A HD12 
1518 H HD13 . ILE A 102 ? 0.508411 0.581942 0.555174 -0.0443649  0.0186496   -0.00060913 102 ILE A HD13 
1519 N N    . GLY A 103 ? 0.3711   0.389043 0.356771 -0.0818028  -0.00258328 -0.0203012  103 GLY A N    
1520 C CA   . GLY A 103 ? 0.414299 0.41318  0.369233 -0.0874803  0.00630581  -0.0317928  103 GLY A CA   
1521 C C    . GLY A 103 ? 0.398926 0.462441 0.358698 -0.090497   0.0330103   -0.0199964  103 GLY A C    
1522 O O    . GLY A 103 ? 0.423596 0.485908 0.404136 -0.101644   0.0277021   -0.00729116 103 GLY A O    
1523 H H    . GLY A 103 ? 0.392011 0.420199 0.398319 -0.020951   0.00878561  -0.0088064  103 GLY A H    
1524 H HA2  . GLY A 103 ? 0.388827 0.422812 0.396591 -0.0169546  0.00533319  -0.019792   103 GLY A HA2  
1525 H HA3  . GLY A 103 ? 0.385662 0.423381 0.399328 -0.0153274  0.012842    -0.0271182  103 GLY A HA3  
1526 N N    . GLY A 104 ? 0.409704 0.464472 0.298452 -0.0773011  0.055909    -0.030736   104 GLY A N    
1527 C CA   . GLY A 104 ? 0.393763 0.442875 0.355771 -0.0556582  0.0140963   -0.0562215  104 GLY A CA   
1528 C C    . GLY A 104 ? 0.392677 0.425335 0.370499 -0.0730355  -0.0186427  -0.0580579  104 GLY A C    
1529 O O    . GLY A 104 ? 0.362433 0.375148 0.379957 -0.053097   -0.0153287  -0.0182864  104 GLY A O    
1530 H H    . GLY A 104 ? 0.432818 0.478105 0.398107 -0.0277537  0.01386     -0.028837   104 GLY A H    
1531 H HA2  . GLY A 104 ? 0.404902 0.438914 0.401265 -0.018389   0.00894299  -0.0367278  104 GLY A HA2  
1532 H HA3  . GLY A 104 ? 0.429987 0.463279 0.403675 -0.02315    0.0115515   -0.0444739  104 GLY A HA3  
1533 N N    . ALA A 105 ? 0.425868 0.430212 0.379295 -0.0904061  -0.0349285  -0.0786331  105 ALA A N    
1534 C CA   . ALA A 105 ? 0.409641 0.414655 0.419077 -0.105596   -0.0399771  -0.0676551  105 ALA A CA   
1535 C C    . ALA A 105 ? 0.372038 0.398833 0.389588 -0.13427    -0.0563651  -0.0652127  105 ALA A C    
1536 O O    . ALA A 105 ? 0.358618 0.390161 0.375114 -0.118774   -0.0356609  -0.0347245  105 ALA A O    
1537 C CB   . ALA A 105 ? 0.465722 0.425134 0.479604 -0.107564   -0.0401335  -0.0664093  105 ALA A CB   
1538 H H    . ALA A 105 ? 0.438876 0.466239 0.407687 -0.0317486  -0.0049987  -0.0456132  105 ALA A H    
1539 H HA   . ALA A 105 ? 0.573745 0.61915  0.570116 -0.0319216  -0.0215994  -0.0247278  105 ALA A HA   
1540 H HB1  . ALA A 105 ? 0.593128 0.620284 0.569137 -0.0437206  -0.0228056  -0.044882   105 ALA A HB1  
1541 H HB2  . ALA A 105 ? 0.617474 0.647279 0.566672 -0.0502039  -0.0251001  -0.046073   105 ALA A HB2  
1542 H HB3  . ALA A 105 ? 0.599374 0.644412 0.573    -0.0511755  -0.0358132  -0.033505   105 ALA A HB3  
1543 N N    . GLN A 106 ? 0.405126 0.424672 0.375436 -0.140225   -0.0541045  -0.0659815  106 GLN A N    
1544 C CA   . GLN A 106 ? 0.450951 0.479199 0.388373 -0.125067   -0.0470398  -0.0632106  106 GLN A CA   
1545 C C    . GLN A 106 ? 0.438605 0.482316 0.36169  -0.0851053  -0.0440467  -0.0498256  106 GLN A C    
1546 O O    . GLN A 106 ? 0.476147 0.491034 0.35751  -0.0536417  -0.0605547  -0.0274696  106 GLN A O    
1547 C CB   . GLN A 106 ? 0.502341 0.510864 0.390282 -0.167725   -0.0487976  -0.0923551  106 GLN A CB   
1548 C CG   . GLN A 106 ? 0.552328 0.495767 0.429517 -0.166178   -0.0319002  -0.0878694  106 GLN A CG   
1549 C CD   . GLN A 106 ? 0.626805 0.546596 0.401766 -0.175619   -0.0499596  -0.0839444  106 GLN A CD   
1550 O OE1  . GLN A 106 ? 0.593148 0.604231 0.385489 -0.185212   -0.0752702  -0.0397678  106 GLN A OE1  
1551 N NE2  . GLN A 106 ? 0.710277 0.578209 0.450947 -0.144818   0.019827    -0.0571718  106 GLN A NE2  
1552 H H    . GLN A 106 ? 0.470808 0.514445 0.405532 -0.0458506  -0.0196107  -0.0308441  106 GLN A H    
1553 H HA   . GLN A 106 ? 0.482371 0.55006  0.417836 -0.0527691  -0.0454725  -0.00335076 106 GLN A HA   
1554 H HB2  . GLN A 106 ? 0.504233 0.555362 0.401493 -0.0541871  -0.0195786  -0.0190885  106 GLN A HB2  
1555 H HB3  . GLN A 106 ? 0.519199 0.580287 0.407914 -0.060861   -0.036701   -0.00399519 106 GLN A HB3  
1556 H HG2  . GLN A 106 ? 0.536728 0.591733 0.414839 -0.0735802  -0.0460938  -0.0248681  106 GLN A HG2  
1557 H HG3  . GLN A 106 ? 0.526685 0.566626 0.40878  -0.0646271  -0.0269291  -0.0400787  106 GLN A HG3  
1558 H HE21 . GLN A 106 ? 0.621444 0.646602 0.408206 -0.0870268  -0.0186486  -0.0599997  106 GLN A HE21 
1559 H HE22 . GLN A 106 ? 0.593724 0.615847 0.41318  -0.0827668  -0.0259398  -0.0612457  106 GLN A HE22 
1560 N N    . ILE A 107 ? 0.396808 0.479021 0.38152  -0.0951682  -0.029909   -0.029051   107 ILE A N    
1561 C CA   . ILE A 107 ? 0.361056 0.480997 0.417383 -0.0813967  -0.0252212  -0.00253289 107 ILE A CA   
1562 C C    . ILE A 107 ? 0.359847 0.468954 0.389439 -0.0665079  -0.0494736  0.00481548  107 ILE A C    
1563 O O    . ILE A 107 ? 0.31422  0.502065 0.447164 -0.0471301  -0.0485969  -0.011431   107 ILE A O    
1564 C CB   . ILE A 107 ? 0.346902 0.503851 0.375965 -0.0852512  -0.0106009  0.0105496   107 ILE A CB   
1565 C CG1  . ILE A 107 ? 0.32468  0.563617 0.395312 -0.0917514  0.027185    0.00594949  107 ILE A CG1  
1566 C CG2  . ILE A 107 ? 0.346848 0.58629  0.360631 -0.0683239  0.0153728   -0.0232056  107 ILE A CG2  
1567 C CD1  . ILE A 107 ? 0.31543  0.567595 0.375191 -0.134      0.0473385   0.029175    107 ILE A CD1  
1568 H H    . ILE A 107 ? 0.45202  0.500729 0.400897 -0.036146   -0.0138797  -0.0084373  107 ILE A H    
1569 H HA   . ILE A 107 ? 0.465702 0.511732 0.41172  -0.0335552  -0.0224417  0.0214968   107 ILE A HA   
1570 H HB   . ILE A 107 ? 0.441822 0.485116 0.398448 -0.0325132  -0.00141379 -0.00304794 107 ILE A HB   
1571 H HG12 . ILE A 107 ? 0.468005 0.514043 0.400888 -0.04289    0.00627698  0.00784331  107 ILE A HG12 
1572 H HG13 . ILE A 107 ? 0.476888 0.514147 0.40746  -0.0415661  -0.00545427 0.0234681   107 ILE A HG13 
1573 H HG21 . ILE A 107 ? 0.435229 0.465671 0.403254 -0.0312621  0.00291767  0.00925217  107 ILE A HG21 
1574 H HG22 . ILE A 107 ? 0.444767 0.467995 0.410845 -0.0269861  -0.00683581 0.0208441   107 ILE A HG22 
1575 H HG23 . ILE A 107 ? 0.423266 0.452253 0.403898 -0.0232487  -0.00372662 0.00726516  107 ILE A HG23 
1576 H HD11 . ILE A 107 ? 0.497758 0.548402 0.405072 -0.0477723  -0.0164957  0.0179776   107 ILE A HD11 
1577 H HD12 . ILE A 107 ? 0.508272 0.56033  0.401308 -0.0535556  -0.0020241  0.0136947   107 ILE A HD12 
1578 H HD13 . ILE A 107 ? 0.490756 0.542662 0.39827  -0.0477192  -0.00355506 -0.00096819 107 ILE A HD13 
1579 N N    . TYR A 108 ? 0.402869 0.421826 0.443226 -0.0487533  -0.0293333  -0.0105117  108 TYR A N    
1580 C CA   . TYR A 108 ? 0.386989 0.433576 0.432321 -0.0355825  -0.0204285  0.0256106   108 TYR A CA   
1581 C C    . TYR A 108 ? 0.41601  0.464351 0.444939 -0.035657   -0.0502261  0.0304506   108 TYR A C    
1582 O O    . TYR A 108 ? 0.389863 0.466343 0.438015 -0.028361   -0.0442325  0.0148005   108 TYR A O    
1583 C CB   . TYR A 108 ? 0.375165 0.386829 0.431941 -0.0309912  -0.0190487  0.00092202  108 TYR A CB   
1584 C CG   . TYR A 108 ? 0.39472  0.34783  0.415039 -0.0375451  -0.00357917 0.014956    108 TYR A CG   
1585 C CD1  . TYR A 108 ? 0.395249 0.285988 0.414726 -0.0531689  0.023832    0.0212977   108 TYR A CD1  
1586 C CD2  . TYR A 108 ? 0.396263 0.329256 0.395746 -0.0430302  0.0104589   -0.00469639 108 TYR A CD2  
1587 C CE1  . TYR A 108 ? 0.442386 0.271184 0.383525 -0.0659359  -8.922e-05  0.00862115  108 TYR A CE1  
1588 C CE2  . TYR A 108 ? 0.421611 0.273312 0.387648 -0.034213   0.0191959   0.0137785   108 TYR A CE2  
1589 C CZ   . TYR A 108 ? 0.4429   0.296412 0.389749 -0.0321266  -0.0202265  0.0221444   108 TYR A CZ   
1590 O OH   . TYR A 108 ? 0.394339 0.273058 0.398215 -0.0409345  -0.0173928  0.00669594  108 TYR A OH   
1591 H H    . TYR A 108 ? 0.41739  0.46378  0.408628 -0.021526   -0.0180352  0.00154016  108 TYR A H    
1592 H HA   . TYR A 108 ? 0.408306 0.441317 0.422335 -0.00508379 -0.0154144  0.0160987   108 TYR A HA   
1593 H HB2  . TYR A 108 ? 0.396439 0.451769 0.419614 -0.0145961  -0.0222772  0.00219311  108 TYR A HB2  
1594 H HB3  . TYR A 108 ? 0.388514 0.439828 0.426779 -0.0035813  -0.0178491  0.0091538   108 TYR A HB3  
1595 H HD1  . TYR A 108 ? 0.389001 0.409562 0.411016 -0.00394756 -0.00431234 0.00253075  108 TYR A HD1  
1596 H HD2  . TYR A 108 ? 0.385762 0.427828 0.408145 -0.0175373  -0.0124866  -0.0167062  108 TYR A HD2  
1597 H HE1  . TYR A 108 ? 0.377001 0.391386 0.400027 -0.00865762 0.00300805  -0.00874358 108 TYR A HE1  
1598 H HE2  . TYR A 108 ? 0.375043 0.404371 0.401961 -0.0133672  -0.00138643 -0.026696   108 TYR A HE2  
1600 N N    . LEU A 109 ? 0.417936 0.476316 0.447315 -0.0481498  -0.0632414  0.0316349   109 LEU A N    
1601 C CA   . LEU A 109 ? 0.411333 0.485412 0.4349   -0.0302061  -0.0579247  0.0405529   109 LEU A CA   
1602 C C    . LEU A 109 ? 0.393974 0.502562 0.411894 -0.0105465  -0.0743386  0.0729334   109 LEU A C    
1603 O O    . LEU A 109 ? 0.354094 0.505181 0.442754 -0.0181705  -0.051408   0.056674    109 LEU A O    
1604 C CB   . LEU A 109 ? 0.386766 0.48886  0.423449 -0.0366179  -0.0529906  0.0333062   109 LEU A CB   
1605 C CG   . LEU A 109 ? 0.403751 0.479506 0.415869 -0.0498035  -0.0294736  0.0286436   109 LEU A CG   
1606 C CD1  . LEU A 109 ? 0.427394 0.501271 0.415731 -0.0657929  -0.0105141  0.0295527   109 LEU A CD1  
1607 C CD2  . LEU A 109 ? 0.424071 0.441718 0.441954 -0.046394   -0.0229309  0.0417316   109 LEU A CD2  
1608 H H    . LEU A 109 ? 0.428264 0.499187 0.432914 -0.020362   -0.0391346  0.0210606   109 LEU A H    
1609 H HA   . LEU A 109 ? 0.427239 0.523481 0.472019 -0.00250225 -0.0501616  0.0478648   109 LEU A HA   
1610 H HB2  . LEU A 109 ? 0.597792 0.695948 0.591092 -0.0317456  -0.063186   0.0375635   109 LEU A HB2  
1611 H HB3  . LEU A 109 ? 0.594753 0.715604 0.616805 -0.023285   -0.0735688  0.0551583   109 LEU A HB3  
1612 H HG   . LEU A 109 ? 0.429403 0.527883 0.449243 -0.0313445  -0.0549146  0.0206291   109 LEU A HG   
1613 H HD11 . LEU A 109 ? 0.469235 0.579549 0.454453 -0.0539953  -0.0749364  0.0213655   109 LEU A HD11 
1614 H HD12 . LEU A 109 ? 0.452724 0.576293 0.467315 -0.0542637  -0.0773967  0.0215581   109 LEU A HD12 
1615 H HD13 . LEU A 109 ? 0.4644   0.603908 0.479214 -0.0499431  -0.0877228  0.0403774   109 LEU A HD13 
1616 H HD21 . LEU A 109 ? 0.411016 0.531513 0.477179 -0.012189   -0.0541322  0.0392115   109 LEU A HD21 
1617 H HD22 . LEU A 109 ? 0.426682 0.573744 0.496432 -0.0193243  -0.0716656  0.0525258   109 LEU A HD22 
1618 H HD23 . LEU A 109 ? 0.416587 0.552699 0.481675 -0.0291092  -0.0650738  0.0347066   109 LEU A HD23 
1619 N N    . LEU A 110 ? 0.403558 0.514195 0.378324 -0.00795877 -0.0502861  0.0781198   110 LEU A N    
1620 C CA   . LEU A 110 ? 0.443124 0.570558 0.450072 -0.00396187 -0.0599575  0.0821396   110 LEU A CA   
1621 C C    . LEU A 110 ? 0.465272 0.52389  0.440398 0.0189852   -0.0484495  0.0885046   110 LEU A C    
1622 O O    . LEU A 110 ? 0.481718 0.583972 0.44127  0.0620847   -0.110501   0.128376    110 LEU A O    
1623 C CB   . LEU A 110 ? 0.461022 0.608592 0.4406   0.0115241   -0.0383402  0.0789572   110 LEU A CB   
1624 C CG   . LEU A 110 ? 0.487968 0.662918 0.450301 0.0341575   -0.057874   0.0861427   110 LEU A CG   
1625 C CD1  . LEU A 110 ? 0.504314 0.691187 0.50251  -0.0297149  -0.0438364  0.119556    110 LEU A CD1  
1626 C CD2  . LEU A 110 ? 0.498414 0.704095 0.466275 0.0479825   -0.0910651  0.0844216   110 LEU A CD2  
1627 H H    . LEU A 110 ? 0.461516 0.524717 0.442993 -0.0186485  -0.0452135  0.0445787   110 LEU A H    
1628 H HA   . LEU A 110 ? 0.49848  0.561527 0.478836 -0.00806417 -0.0611763  0.0811626   110 LEU A HA   
1629 H HB2  . LEU A 110 ? 0.486651 0.524458 0.43939  -0.0230257  -0.0369236  0.054061    110 LEU A HB2  
1630 H HB3  . LEU A 110 ? 0.513155 0.544072 0.458173 -0.0200676  -0.0455155  0.0752382   110 LEU A HB3  
1631 H HG   . LEU A 110 ? 0.506561 0.571107 0.437301 -0.0375143  -0.0524945  0.0526389   110 LEU A HG   
1632 H HD11 . LEU A 110 ? 0.513977 0.558785 0.423079 -0.0437462  -0.0321455  0.0475433   110 LEU A HD11 
1633 H HD12 . LEU A 110 ? 0.54287  0.59826  0.426477 -0.0531443  -0.0435778  0.0549771   110 LEU A HD12 
1634 H HD13 . LEU A 110 ? 0.541005 0.580742 0.437857 -0.0447092  -0.0417485  0.0694906   110 LEU A HD13 
1635 H HD21 . LEU A 110 ? 0.530748 0.609148 0.47081  -0.0299932  -0.075154   0.0852345   110 LEU A HD21 
1636 H HD22 . LEU A 110 ? 0.550156 0.607199 0.470636 -0.0310362  -0.0689403  0.0944413   110 LEU A HD22 
1637 H HD23 . LEU A 110 ? 0.555133 0.628637 0.455849 -0.0459415  -0.0727428  0.0811751   110 LEU A HD23 
1638 N N    . ALA A 111 ? 0.456076 0.488002 0.434852 0.00011688  -0.0444727  0.0788521   111 ALA A N    
1639 C CA   . ALA A 111 ? 0.456008 0.423097 0.447961 -0.0271015  -0.0148922  0.0408648   111 ALA A CA   
1640 C C    . ALA A 111 ? 0.464748 0.445262 0.504501 -0.0327477  -0.0377973  0.0161816   111 ALA A C    
1641 O O    . ALA A 111 ? 0.473378 0.434056 0.53264  -0.00646312 -0.0188984  0.0107911   111 ALA A O    
1642 C CB   . ALA A 111 ? 0.472243 0.394    0.399681 -0.012237   0.00570162  0.00876854  111 ALA A CB   
1643 H H    . ALA A 111 ? 0.4539   0.484149 0.453361 0.0004688   -0.0307994  0.050009    111 ALA A H    
1644 H HA   . ALA A 111 ? 0.490413 0.472021 0.4814   0.0134527   -0.025204   0.0677577   111 ALA A HA   
1645 H HB1  . ALA A 111 ? 0.458869 0.449326 0.444974 -0.00299018 -0.0150308  0.0428842   111 ALA A HB1  
1646 H HB2  . ALA A 111 ? 0.440647 0.441524 0.447132 0.00679251  -0.0144707  0.0372076   111 ALA A HB2  
1647 H HB3  . ALA A 111 ? 0.46307  0.433902 0.459035 0.00950703  -0.010792   0.0436739   111 ALA A HB3  
1648 N N    . LEU A 112 ? 0.420901 0.443086 0.471593 -0.057314   -0.0464148  0.0267456   112 LEU A N    
1649 C CA   . LEU A 112 ? 0.424803 0.43645  0.535381 -0.0211175  -0.0467132  0.00887873  112 LEU A CA   
1650 C C    . LEU A 112 ? 0.467068 0.445417 0.583892 0.0193394   -0.0476848  0.0222158   112 LEU A C    
1651 O O    . LEU A 112 ? 0.375196 0.446483 0.611157 0.0352716   -0.0100045  0.00260491  112 LEU A O    
1652 C CB   . LEU A 112 ? 0.395032 0.46103  0.552381 -0.0669503  -0.0421884  -0.00559839 112 LEU A CB   
1653 C CG   . LEU A 112 ? 0.424042 0.459152 0.583453 -0.0851482  -0.0493604  -0.0230325  112 LEU A CG   
1654 C CD1  . LEU A 112 ? 0.413678 0.411106 0.545499 -0.0765642  -0.0342234  -0.0561074  112 LEU A CD1  
1655 C CD2  . LEU A 112 ? 0.334981 0.529609 0.621222 -0.123104   -0.0294587  0.0102514   112 LEU A CD2  
1656 H H    . LEU A 112 ? 0.443992 0.482525 0.481232 0.0226017   -0.0297682  0.0566762   112 LEU A H    
1657 H HA   . LEU A 112 ? 0.440304 0.460598 0.501081 0.0458865   -0.0117528  0.0517201   112 LEU A HA   
1658 H HB2  . LEU A 112 ? 0.417835 0.48822  0.492173 0.0298289   -0.0272526  0.0516705   112 LEU A HB2  
1659 H HB3  . LEU A 112 ? 0.434844 0.518694 0.521815 0.0405976   -0.0360316  0.0708959   112 LEU A HB3  
1660 H HG   . LEU A 112 ? 0.430739 0.514056 0.549788 0.0658772   -0.0167419  0.0700733   112 LEU A HG   
1661 H HD11 . LEU A 112 ? 0.424054 0.462958 0.512992 0.0575553   -4.285e-05  0.045532    112 LEU A HD11 
1662 H HD12 . LEU A 112 ? 0.407501 0.480969 0.521928 0.0578888   0.00020568  0.0466454   112 LEU A HD12 
1663 H HD13 . LEU A 112 ? 0.402115 0.462702 0.492436 0.0408007   -0.00704103 0.0386417   112 LEU A HD13 
1664 H HD21 . LEU A 112 ? 0.412165 0.547861 0.545022 0.0429618   -0.0372116  0.073333    112 LEU A HD21 
1665 H HD22 . LEU A 112 ? 0.397721 0.514742 0.513572 0.0311116   -0.0290858  0.0540981   112 LEU A HD22 
1666 H HD23 . LEU A 112 ? 0.400253 0.531893 0.544677 0.0498116   -0.0213345  0.0642185   112 LEU A HD23 
1667 N N    . PRO A 113 ? 0.473931 0.469337 0.603717 0.0440727   -0.09444    0.0394732   113 PRO A N    
1668 C CA   . PRO A 113 ? 0.511261 0.487019 0.639363 0.077106    -0.0928072  0.0417407   113 PRO A CA   
1669 C C    . PRO A 113 ? 0.54929  0.471086 0.644243 0.083166    -0.102833   0.0426126   113 PRO A C    
1670 O O    . PRO A 113 ? 0.558371 0.498914 0.693322 0.092753    -0.125744   0.0182009   113 PRO A O    
1671 C CB   . PRO A 113 ? 0.537889 0.534405 0.673645 0.115552    -0.111043   0.0567507   113 PRO A CB   
1672 C CG   . PRO A 113 ? 0.557958 0.525167 0.646016 0.071212    -0.118544   0.0469578   113 PRO A CG   
1673 C CD   . PRO A 113 ? 0.462676 0.469954 0.605937 0.0499994   -0.101484   0.0281599   113 PRO A CD   
1674 H HA   . PRO A 113 ? 0.507513 0.541269 0.613185 0.0982831   -0.0259917  0.109171    113 PRO A HA   
1675 H HB2  . PRO A 113 ? 0.550159 0.559459 0.616478 0.0847223   -0.0478648  0.133713    113 PRO A HB2  
1676 H HB3  . PRO A 113 ? 0.533303 0.5869   0.638314 0.0969427   -0.0511977  0.139434    113 PRO A HB3  
1677 H HG2  . PRO A 113 ? 0.522447 0.57795  0.576579 0.0534322   -0.0638845  0.126458    113 PRO A HG2  
1678 H HG3  . PRO A 113 ? 0.49888  0.58658  0.586992 0.0611921   -0.0622945  0.122596    113 PRO A HG3  
1679 H HD2  . PRO A 113 ? 0.496952 0.520841 0.534042 0.0428166   -0.0422124  0.0946318   113 PRO A HD2  
1680 H HD3  . PRO A 113 ? 0.472791 0.533847 0.532176 0.0409945   -0.0465004  0.0898241   113 PRO A HD3  
1681 N N    . HIS A 114 ? 0.545182 0.443428 0.592847 0.0221448   -0.0888663  0.0544517   114 HIS A N    
1682 C CA   . HIS A 114 ? 0.580907 0.417888 0.597101 -0.00816874 -0.0512505  0.0940437   114 HIS A CA   
1683 C C    . HIS A 114 ? 0.55273  0.364683 0.577645 -0.00666624 -0.0252924  0.0701749   114 HIS A C    
1684 O O    . HIS A 114 ? 0.549427 0.325213 0.575893 -0.0070287  -0.0301718  0.105074    114 HIS A O    
1685 C CB   . HIS A 114 ? 0.606962 0.418999 0.558234 -0.0412025  -0.0352124  0.0792034   114 HIS A CB   
1686 C CG   . HIS A 114 ? 0.677145 0.484453 0.557866 -0.0557708  -0.0231672  0.0758262   114 HIS A CG   
1687 N ND1  . HIS A 114 ? 0.767514 0.507597 0.572307 -0.0371972  -0.0233604  0.110969    114 HIS A ND1  
1688 C CD2  . HIS A 114 ? 0.719951 0.541893 0.536335 -0.0935679  -0.0276328  0.0888413   114 HIS A CD2  
1689 C CE1  . HIS A 114 ? 0.816253 0.531205 0.581139 -0.0583521  -0.0241481  0.103466    114 HIS A CE1  
1690 N NE2  . HIS A 114 ? 0.805615 0.526154 0.564446 -0.0760287  -0.0247016  0.105594    114 HIS A NE2  
1691 H H    . HIS A 114 ? 0.52472  0.483267 0.556288 0.0633886   -0.0210529  0.0899622   114 HIS A H    
1692 H HA   . HIS A 114 ? 0.593301 0.470999 0.609108 0.0886294   -0.007921   0.0990538   114 HIS A HA   
1693 H HB2  . HIS A 114 ? 0.545251 0.449925 0.536201 0.0432935   -0.012627   0.0787164   114 HIS A HB2  
1694 H HB3  . HIS A 114 ? 0.58765  0.443329 0.563599 0.050398    -0.00814181 0.0848481   114 HIS A HB3  
1696 H HD2  . HIS A 114 ? 0.549531 0.502428 0.541869 0.0372685   -0.0360867  0.105133    114 HIS A HD2  
1697 H HE1  . HIS A 114 ? 0.662617 0.519965 0.614316 0.0471635   -0.0426564  0.150169    114 HIS A HE1  
1699 N N    . ALA A 115 ? 0.466844 0.349601 0.553823 0.0120544   -0.0199256  0.072338    115 ALA A N    
1700 C CA   . ALA A 115 ? 0.469895 0.333791 0.545583 0.0125456   -0.0322029  0.0301609   115 ALA A CA   
1701 C C    . ALA A 115 ? 0.487835 0.332909 0.564246 0.0279352   -0.0295681  0.0291816   115 ALA A C    
1702 O O    . ALA A 115 ? 0.481842 0.36281  0.548941 0.0410556   -0.0423969  0.0567282   115 ALA A O    
1703 C CB   . ALA A 115 ? 0.468178 0.336182 0.545928 0.0445008   -0.0252959  -0.0102807  115 ALA A CB   
1704 H H    . ALA A 115 ? 0.512046 0.452713 0.553989 0.0758638   0.00172009  0.0659884   115 ALA A H    
1705 H HA   . ALA A 115 ? 0.52635  0.408828 0.529045 0.0598      0.0169046   0.0399804   115 ALA A HA   
1706 H HB1  . ALA A 115 ? 0.470712 0.419862 0.499155 0.0490042   0.00670401  0.0388553   115 ALA A HB1  
1707 H HB2  . ALA A 115 ? 0.471298 0.434927 0.522697 0.0673734   0.0120231   0.0430675   115 ALA A HB2  
1708 H HB3  . ALA A 115 ? 0.47399  0.41015  0.502964 0.0565      0.0186098   0.0287303   115 ALA A HB3  
1709 N N    . THR A 116 ? 0.483634 0.333814 0.55375  0.0180735   -0.0342449  0.0372918   116 THR A N    
1710 C CA   . THR A 116 ? 0.515656 0.307835 0.547775 0.0212531   -0.0129241  0.00743568  116 THR A CA   
1711 C C    . THR A 116 ? 0.505486 0.286896 0.507362 -0.00184081 -0.00585518 -0.00538998 116 THR A C    
1712 O O    . THR A 116 ? 0.551456 0.25635  0.516094 0.0110241   -0.00494879 0.0267543   116 THR A O    
1713 C CB   . THR A 116 ? 0.606531 0.317834 0.597294 -2.506e-05  -0.00545339 -0.0153419  116 THR A CB   
1714 O OG1  . THR A 116 ? 0.636762 0.292338 0.580617 -0.0638481  0.00151257  -0.0689791  116 THR A OG1  
1715 C CG2  . THR A 116 ? 0.692335 0.295884 0.662343 0.027412    -0.00136334 -0.0163752  116 THR A CG2  
1716 H H    . THR A 116 ? 0.551288 0.397032 0.54019  0.0697846   0.034745    0.0233454   116 THR A H    
1717 H HA   . THR A 116 ? 0.569931 0.427736 0.589913 0.112306    0.057158    0.0250526   116 THR A HA   
1718 H HB   . THR A 116 ? 0.645377 0.407462 0.605935 0.109993    0.0709058   0.00706724  116 THR A HB   
1720 H HG21 . THR A 116 ? 0.689407 0.420229 0.657071 0.131897    0.0656481   0.029994    116 THR A HG21 
1721 H HG22 . THR A 116 ? 0.637491 0.426292 0.632753 0.121887    0.0500469   0.0421458   116 THR A HG22 
1722 H HG23 . THR A 116 ? 0.647002 0.439472 0.653907 0.143278    0.0676966   0.0345629   116 THR A HG23 
1723 N N    . ARG A 117 ? 0.445235 0.323016 0.454278 -0.0100376  -0.0168174  -0.00435565 117 ARG A N    
1724 C CA   . ARG A 117 ? 0.455625 0.329942 0.458637 -0.025011   0.0267841   0.00642113  117 ARG A CA   
1725 C C    . ARG A 117 ? 0.401404 0.316844 0.45055  -0.0345664  0.0144081   0.00818585  117 ARG A C    
1726 O O    . ARG A 117 ? 0.352949 0.295159 0.470249 -0.0294701  0.0103246   0.0119636   117 ARG A O    
1727 C CB   . ARG A 117 ? 0.506248 0.427756 0.482149 -0.0205386  -0.0191788  -0.00054568 117 ARG A CB   
1728 C CG   . ARG A 117 ? 0.578783 0.510968 0.486317 -0.020075   -0.0166214  -0.0044618  117 ARG A CG   
1729 C CD   . ARG A 117 ? 0.650159 0.547902 0.531513 -0.037983   -0.0316993  -0.0120467  117 ARG A CD   
1730 N NE   . ARG A 117 ? 0.679868 0.618584 0.477037 -0.0489935  -0.0453587  0.00552728  117 ARG A NE   
1731 C CZ   . ARG A 117 ? 0.65293  0.590565 0.555611 -0.0940982  -0.0511023  0.0767885   117 ARG A CZ   
1732 N NH1  . ARG A 117 ? 0.668037 0.633772 0.640479 -0.122952   -0.0301837  0.118995    117 ARG A NH1  
1733 N NH2  . ARG A 117 ? 0.752932 0.591957 0.572999 -0.0803268  -0.07193    0.0806162   117 ARG A NH2  
1734 H H    . ARG A 117 ? 0.518127 0.389783 0.51131  0.0605415   0.0396264   0.00829294  117 ARG A H    
1735 H HA   . ARG A 117 ? 0.519918 0.393316 0.505241 0.0642131   0.0584304   -0.0098852  117 ARG A HA   
1736 H HB2  . ARG A 117 ? 0.57242  0.376318 0.509172 0.0491676   0.0550478   -0.0176237  117 ARG A HB2  
1737 H HB3  . ARG A 117 ? 0.53575  0.36877  0.484475 0.0322107   0.0406966   -0.0123538  117 ARG A HB3  
1738 H HG2  . ARG A 117 ? 0.677794 0.535012 0.625648 0.0219565   0.0424342   -0.0231173  117 ARG A HG2  
1739 H HG3  . ARG A 117 ? 0.706743 0.545699 0.646313 0.038598    0.0577038   -0.02755    117 ARG A HG3  
1740 H HD2  . ARG A 117 ? 0.81325  0.579408 0.701142 0.0244827   0.0561806   -0.0368794  117 ARG A HD2  
1741 H HD3  . ARG A 117 ? 0.779963 0.571885 0.681546 0.00701171  0.0404994   -0.0298365  117 ARG A HD3  
1742 H HE   . ARG A 117 ? 0.724992 0.545144 0.627515 0.0110347   0.0504354   -0.0391695  117 ARG A HE   
1743 H HH11 . ARG A 117 ? 0.7993   0.554176 0.657744 -0.0203537  0.033992    -0.0408523  117 ARG A HH11 
1744 H HH12 . ARG A 117 ? 0.789469 0.559905 0.641382 -0.039873   0.0240398   -0.0432921  117 ARG A HH12 
1745 H HH21 . ARG A 117 ? 0.742323 0.555869 0.613453 -0.0141642  0.0417134   -0.0468608  117 ARG A HH21 
1746 H HH22 . ARG A 117 ? 0.763514 0.557384 0.613715 -0.0343303  0.029969    -0.0487611  117 ARG A HH22 
1747 N N    . CYS A 118 ? 0.406775 0.304615 0.455659 -0.0361303  0.041447    0.00014216  118 CYS A N    
1748 C CA   . CYS A 118 ? 0.361998 0.314396 0.471466 0.00304299  0.0262286   0.015132    118 CYS A CA   
1749 C C    . CYS A 118 ? 0.41292  0.281867 0.4351   -0.0237881  0.0424776   0.00068754  118 CYS A C    
1750 O O    . CYS A 118 ? 0.499973 0.23732  0.470781 0.005973    0.0654541   0.0375948   118 CYS A O    
1751 C CB   . CYS A 118 ? 0.377604 0.350731 0.481399 0.00067319  0.00933094  0.0211507   118 CYS A CB   
1752 S SG   . CYS A 118 ? 0.392285 0.46485  0.516173 -0.0118677  0.00952862  0.00702775  118 CYS A SG   
1753 H H    . CYS A 118 ? 0.469919 0.390184 0.472343 0.0477626   0.0507105   -0.0117629  118 CYS A H    
1754 H HA   . CYS A 118 ? 0.422929 0.375628 0.439315 0.0252689   0.0281269   -0.00750701 118 CYS A HA   
1755 H HB2  . CYS A 118 ? 0.415404 0.404017 0.463901 0.0431092   0.0407874   -0.00193086 118 CYS A HB2  
1756 H HB3  . CYS A 118 ? 0.395539 0.391762 0.443437 0.0289548   0.0285922   -0.00338407 118 CYS A HB3  
1758 N N    . GLU A 119 ? 0.408143 0.29294  0.389578 -0.0246911  0.0157239   -0.0127248  119 GLU A N    
1759 C CA   . GLU A 119 ? 0.416077 0.32397  0.348662 -0.0584669  0.0241345   -0.0257521  119 GLU A CA   
1760 C C    . GLU A 119 ? 0.376948 0.307963 0.350565 -0.0508348  0.0209115   -0.03058    119 GLU A C    
1761 O O    . GLU A 119 ? 0.361346 0.292728 0.403688 -0.064947   0.0239896   -0.0404842  119 GLU A O    
1762 C CB   . GLU A 119 ? 0.432382 0.355728 0.400531 -0.0712384  0.000786    -0.0496174  119 GLU A CB   
1763 C CG   . GLU A 119 ? 0.473261 0.368801 0.400048 -0.0671932  -0.00560259 -0.0546079  119 GLU A CG   
1764 C CD   . GLU A 119 ? 0.504439 0.359528 0.380095 -0.0448786  -0.0122098  -0.0869855  119 GLU A CD   
1765 O OE1  . GLU A 119 ? 0.536188 0.382891 0.385997 -0.0506547  -0.0293949  -0.0637062  119 GLU A OE1  
1766 O OE2  . GLU A 119 ? 0.523375 0.34786  0.388586 -0.0511219  -0.00268831 -0.11441    119 GLU A OE2  
1767 H H    . GLU A 119 ? 0.408507 0.365568 0.417394 0.00917227  0.0235229   -0.0149389  119 GLU A H    
1768 H HA   . GLU A 119 ? 0.422958 0.372859 0.415812 0.00675238  0.0329469   -0.0208984  119 GLU A HA   
1769 H HB2  . GLU A 119 ? 0.417469 0.361197 0.405118 -0.00905013 0.016994    -0.0205088  119 GLU A HB2  
1770 H HB3  . GLU A 119 ? 0.423436 0.365586 0.40253  -0.0119675  0.0182695   -0.0225272  119 GLU A HB3  
1771 H HG2  . GLU A 119 ? 0.462756 0.36541  0.422973 0.00099525  0.0304858   -0.0254565  119 GLU A HG2  
1772 H HG3  . GLU A 119 ? 0.466679 0.365827 0.414107 -0.015446   0.0216794   -0.0275179  119 GLU A HG3  
1773 N N    . VAL A 120 ? 0.35578  0.316129 0.363042 -0.0444462  0.02267     -0.029586   120 VAL A N    
1774 C CA   . VAL A 120 ? 0.389445 0.316223 0.34675  -0.0460198  0.0222235   -0.0331972  120 VAL A CA   
1775 C C    . VAL A 120 ? 0.393969 0.319758 0.366963 -0.0581951  0.0212196   -0.0197199  120 VAL A C    
1776 O O    . VAL A 120 ? 0.428199 0.284041 0.34761  -0.0779435  0.0569017   0.0624966   120 VAL A O    
1777 C CB   . VAL A 120 ? 0.406207 0.300452 0.375069 -0.0368183  0.00469228  -0.0331186  120 VAL A CB   
1778 C CG1  . VAL A 120 ? 0.382647 0.308422 0.353236 -0.0670101  0.0274585   -0.054348   120 VAL A CG1  
1779 C CG2  . VAL A 120 ? 0.44382  0.344911 0.366334 -0.0244631  -0.00257228 -0.0127685  120 VAL A CG2  
1780 H H    . VAL A 120 ? 0.396808 0.376815 0.412179 0.00319162  0.02943     -0.0160587  120 VAL A H    
1781 H HA   . VAL A 120 ? 0.365802 0.366629 0.405695 -0.0028375  0.0143847   -0.0145617  120 VAL A HA   
1782 H HB   . VAL A 120 ? 0.373843 0.390065 0.424317 0.00244356  0.0276165   -0.0082237  120 VAL A HB   
1783 H HG11 . VAL A 120 ? 0.356064 0.377875 0.417898 -0.00620252 0.0107222   -0.0113943  120 VAL A HG11 
1784 H HG12 . VAL A 120 ? 0.362239 0.381996 0.421983 -0.00906434 0.0149167   -0.00827509 120 VAL A HG12 
1785 H HG13 . VAL A 120 ? 0.35793  0.393985 0.430541 -0.00566163 0.0155562   -0.00578066 120 VAL A HG13 
1786 H HG21 . VAL A 120 ? 0.364288 0.39903  0.434885 0.00970944  0.0227162   -0.00412759 120 VAL A HG21 
1787 H HG22 . VAL A 120 ? 0.377154 0.388611 0.428328 0.0137019   0.027934    -0.00841981 120 VAL A HG22 
1788 H HG23 . VAL A 120 ? 0.363822 0.382294 0.420467 0.00682851  0.0175916   -0.00909243 120 VAL A HG23 
1789 N N    . THR A 121 ? 0.324081 0.331375 0.39345  -0.0548881  0.0354433   -0.0119702  121 THR A N    
1790 C CA   . THR A 121 ? 0.372869 0.352538 0.373099 -0.0611888  -0.00755701 -0.00427727 121 THR A CA   
1791 C C    . THR A 121 ? 0.374606 0.341587 0.357356 -0.0468978  -0.00190432 -0.00653455 121 THR A C    
1792 O O    . THR A 121 ? 0.410216 0.324125 0.363258 -0.0518174  0.0391181   0.00524248  121 THR A O    
1793 C CB   . THR A 121 ? 0.384971 0.335256 0.386695 -0.0408648  -0.0163027  -0.00988216 121 THR A CB   
1794 O OG1  . THR A 121 ? 0.363717 0.313623 0.461893 -0.0546286  0.00111615  0.019198    121 THR A OG1  
1795 C CG2  . THR A 121 ? 0.400558 0.341642 0.414697 -0.0267738  -0.0330741  -0.0205941  121 THR A CG2  
1796 H H    . THR A 121 ? 0.363995 0.362731 0.404963 -0.00916557 0.00772818  -0.0140935  121 THR A H    
1797 H HA   . THR A 121 ? 0.383177 0.373282 0.410382 -0.0161191  0.00879151  -0.00624434 121 THR A HA   
1798 H HB   . THR A 121 ? 0.367665 0.362496 0.41531  -0.0110214  -0.00106594 -0.010541   121 THR A HB   
1800 H HG21 . THR A 121 ? 0.383658 0.372289 0.426787 -0.013827   -0.00946509 0.0003516   121 THR A HG21 
1801 H HG22 . THR A 121 ? 0.391441 0.375772 0.419557 -0.0192668  -0.00414661 0.00154895  121 THR A HG22 
1802 H HG23 . THR A 121 ? 0.384506 0.368781 0.428464 -0.0156675  -0.00464277 -0.00063589 121 THR A HG23 
1803 N N    . GLU A 122 ? 0.352847 0.335478 0.315704 -0.055533   0.00208373  -0.00535976 122 GLU A N    
1804 C CA   . GLU A 122 ? 0.317599 0.354396 0.343072 -0.0460059  -0.0167878  -0.00344013 122 GLU A CA   
1805 C C    . GLU A 122 ? 0.298764 0.341116 0.391079 -0.0386703  -0.0133273  0.0174498   122 GLU A C    
1806 O O    . GLU A 122 ? 0.284783 0.352225 0.420389 -0.0334005  -0.0237857  0.0232415   122 GLU A O    
1807 C CB   . GLU A 122 ? 0.286152 0.354447 0.38642  -0.0315982  -0.0117831  -0.0120449  122 GLU A CB   
1808 C CG   . GLU A 122 ? 0.263971 0.406286 0.460749 -0.0327851  -0.00726861 -0.00224653 122 GLU A CG   
1809 C CD   . GLU A 122 ? 0.269959 0.44228  0.479692 -0.042895   0.0156693   -0.00759711 122 GLU A CD   
1810 O OE1  . GLU A 122 ? 0.233541 0.433469 0.487009 0.0290964   -0.011283   0.0061793   122 GLU A OE1  
1811 O OE2  . GLU A 122 ? 0.275067 0.45452  0.462125 -0.0473312  0.0337285   -0.00162084 122 GLU A OE2  
1812 H H    . GLU A 122 ? 0.386731 0.383167 0.424646 -0.0212366  0.0119577   0.00034432  122 GLU A H    
1813 H HA   . GLU A 122 ? 0.379199 0.379196 0.44018  -0.0256234  0.00416073  -0.00299598 122 GLU A HA   
1814 H HB2  . GLU A 122 ? 0.381994 0.402889 0.444752 -0.0274387  0.0170947   0.00496864  122 GLU A HB2  
1815 H HB3  . GLU A 122 ? 0.396343 0.403472 0.446082 -0.0325755  0.0162462   0.0101615   122 GLU A HB3  
1816 H HG2  . GLU A 122 ? 0.404942 0.40311  0.468691 -0.0452648  0.00570565  0.0126615   122 GLU A HG2  
1817 H HG3  . GLU A 122 ? 0.390309 0.405921 0.465223 -0.0421247  0.00600902  0.00686174  122 GLU A HG3  
1818 N N    . ILE A 123 ? 0.307694 0.317629 0.396429 -0.0548225  -0.0178851  0.0252143   123 ILE A N    
1819 C CA   . ILE A 123 ? 0.363309 0.317579 0.439273 -0.0467325  -0.0262907  0.0212449   123 ILE A CA   
1820 C C    . ILE A 123 ? 0.39054  0.307005 0.454674 -0.0559798  -0.0214317  0.0289369   123 ILE A C    
1821 O O    . ILE A 123 ? 0.424998 0.287065 0.446059 -0.0632383  -0.0170637  0.0116902   123 ILE A O    
1822 C CB   . ILE A 123 ? 0.38302  0.328443 0.499472 -0.0428205  -0.0156517  0.0353503   123 ILE A CB   
1823 C CG1  . ILE A 123 ? 0.392766 0.31285  0.507971 -0.0460652  -0.0301448  0.04294     123 ILE A CG1  
1824 C CG2  . ILE A 123 ? 0.419401 0.29444  0.521039 -0.0173087  0.00484846  0.0118365   123 ILE A CG2  
1825 C CD1  . ILE A 123 ? 0.365068 0.323069 0.532991 -0.095541   -0.0248163  0.0527864   123 ILE A CD1  
1826 H H    . ILE A 123 ? 0.39811  0.372851 0.458713 -0.02982    -0.00403098 -0.00298407 123 ILE A H    
1827 H HA   . ILE A 123 ? 0.423103 0.373453 0.474318 -0.0278302  -0.00992428 0.0115587   123 ILE A HA   
1828 H HB   . ILE A 123 ? 0.425288 0.363106 0.484801 -0.0222897  -0.0105887  -0.00802163 123 ILE A HB   
1829 H HG12 . ILE A 123 ? 0.394181 0.361435 0.455104 -0.0139514  -0.00668215 -0.00897833 123 ILE A HG12 
1830 H HG13 . ILE A 123 ? 0.406882 0.360501 0.472422 -0.00586543 -0.00857261 -0.0115854  123 ILE A HG13 
1831 H HG21 . ILE A 123 ? 0.446231 0.362205 0.5109   -0.00587224 -0.0144236  -0.00199055 123 ILE A HG21 
1832 H HG22 . ILE A 123 ? 0.444526 0.367347 0.504186 -0.0132658  -0.0172894  0.0109669   123 ILE A HG22 
1833 H HG23 . ILE A 123 ? 0.459559 0.364366 0.517038 -0.02017    -0.0163658  0.00441784  123 ILE A HG23 
1834 H HD11 . ILE A 123 ? 0.41245  0.368319 0.477324 -0.00459593 -0.0150642  0.00535718  123 ILE A HD11 
1835 H HD12 . ILE A 123 ? 0.392691 0.365942 0.455565 -0.00579493 -0.0108989  -0.00152742 123 ILE A HD12 
1836 H HD13 . ILE A 123 ? 0.4036   0.368537 0.458137 -0.0139794  -0.0113775  0.00559375  123 ILE A HD13 
1837 N N    . GLU A 124 ? 0.396494 0.330265 0.473622 -0.0603377  -0.0226543  0.0227884   124 GLU A N    
1838 C CA   . GLU A 124 ? 0.382258 0.347933 0.511986 -0.0779852  -0.0321172  0.0332284   124 GLU A CA   
1839 C C    . GLU A 124 ? 0.419338 0.312632 0.524057 -0.0816005  -0.0301413  0.0390447   124 GLU A C    
1840 O O    . GLU A 124 ? 0.466757 0.311533 0.600708 -0.0598994  -0.0072877  0.0514321   124 GLU A O    
1841 C CB   . GLU A 124 ? 0.400935 0.354593 0.511778 -0.0881475  -0.0284403  0.036033    124 GLU A CB   
1842 C CG   . GLU A 124 ? 0.476581 0.399048 0.569343 -0.0983561  0.0101936   0.0614157   124 GLU A CG   
1843 C CD   . GLU A 124 ? 0.534182 0.482784 0.581492 -0.0878934  0.0159453   0.0676434   124 GLU A CD   
1844 O OE1  . GLU A 124 ? 0.640777 0.46277  0.557458 -0.100413   -0.014563   0.136175    124 GLU A OE1  
1845 O OE2  . GLU A 124 ? 0.547334 0.563886 0.623542 -0.10659    0.0662971   0.0452819   124 GLU A OE2  
1846 H H    . GLU A 124 ? 0.454331 0.384637 0.49971  -0.0418582  -0.0125173  0.0253942   124 GLU A H    
1847 H HA   . GLU A 124 ? 0.472138 0.397752 0.524596 -0.0658027  -0.0122107  0.0249419   124 GLU A HA   
1848 H HB2  . GLU A 124 ? 0.570416 0.503435 0.60863  -0.0656084  -0.00760316 0.042415    124 GLU A HB2  
1849 H HB3  . GLU A 124 ? 0.590477 0.493164 0.625264 -0.0593564  -0.0166886  0.0459438   124 GLU A HB3  
1850 H HG2  . GLU A 124 ? 0.532387 0.410971 0.569235 -0.0832486  -0.0192291  0.0499927   124 GLU A HG2  
1851 H HG3  . GLU A 124 ? 0.507773 0.42605  0.5523   -0.0899126  -0.0106755  0.0490073   124 GLU A HG3  
1852 N N    . ILE A 125 ? 0.444445 0.330982 0.537581 -0.0755946  -0.0359337  0.0182124   125 ILE A N    
1853 C CA   . ILE A 125 ? 0.501053 0.328288 0.516647 -0.0306624  -0.0440299  0.0212573   125 ILE A CA   
1854 C C    . ILE A 125 ? 0.543944 0.356364 0.524444 -0.0584439  -0.0529194  0.01313     125 ILE A C    
1855 O O    . ILE A 125 ? 0.491556 0.426494 0.50812  -0.0628772  -0.101854   0.016352    125 ILE A O    
1856 C CB   . ILE A 125 ? 0.551149 0.33509  0.495136 0.00708875  -0.0279595  0.00087872  125 ILE A CB   
1857 C CG1  . ILE A 125 ? 0.592901 0.357873 0.518107 0.0339134   -0.0210657  -0.0124949  125 ILE A CG1  
1858 C CG2  . ILE A 125 ? 0.522988 0.326404 0.457789 -0.00623315 -0.0242176  -0.0195446  125 ILE A CG2  
1859 C CD1  . ILE A 125 ? 0.61637  0.383203 0.555611 0.0769548   0.00909624  -0.0783868  125 ILE A CD1  
1860 H H    . ILE A 125 ? 0.486562 0.381328 0.537637 -0.0590336  -0.0185748  0.00674759  125 ILE A H    
1861 H HA   . ILE A 125 ? 0.553146 0.373374 0.591082 -0.0555188  -0.0259416  0.010691    125 ILE A HA   
1862 H HB   . ILE A 125 ? 0.517586 0.362935 0.565866 -0.0265331  -0.0202118  -0.00123233 125 ILE A HB   
1863 H HG12 . ILE A 125 ? 0.574318 0.364784 0.600898 -0.0387333  -0.0211186  -0.0251682  125 ILE A HG12 
1864 H HG13 . ILE A 125 ? 0.586283 0.362443 0.618264 -0.0322322  -0.0234562  -0.0092381  125 ILE A HG13 
1865 H HG21 . ILE A 125 ? 0.493011 0.361943 0.540326 -0.0234674  -0.01448    -0.0226129  125 ILE A HG21 
1866 H HG22 . ILE A 125 ? 0.506389 0.369091 0.546817 -0.0435311  -0.0186988  -0.0231846  125 ILE A HG22 
1867 H HG23 . ILE A 125 ? 0.477394 0.366727 0.527862 -0.0370883  -0.0164629  -0.0117948  125 ILE A HG23 
1868 H HD11 . ILE A 125 ? 0.554171 0.360278 0.60379  0.00077416  -0.0158764  -0.0144131  125 ILE A HD11 
1869 H HD12 . ILE A 125 ? 0.592434 0.360576 0.626446 -0.00241454 -0.0133931  -0.0298784  125 ILE A HD12 
1870 H HD13 . ILE A 125 ? 0.544939 0.360776 0.58619  -0.00589263 -0.0118583  -0.0308806  125 ILE A HD13 
1871 N N    . ASP A 126 ? 0.601487 0.340842 0.524778 -0.0615029  -0.0527772  0.0124303   126 ASP A N    
1872 C CA   . ASP A 126 ? 0.67593  0.364006 0.544959 -0.0937153  -0.0629389  -0.014838   126 ASP A CA   
1873 C C    . ASP A 126 ? 0.703821 0.362888 0.559594 -0.0713084  -0.0566147  -0.0464199  126 ASP A C    
1874 O O    . ASP A 126 ? 0.808453 0.358485 0.572035 -0.0492192  -0.0479426  -0.0709052  126 ASP A O    
1875 C CB   . ASP A 126 ? 0.753312 0.37298  0.570151 -0.136869   -0.0705727  -0.0122095  126 ASP A CB   
1876 C CG   . ASP A 126 ? 0.766966 0.429386 0.657749 -0.154164   -0.0792347  -0.00071982 126 ASP A CG   
1877 O OD1  . ASP A 126 ? 0.77789  0.430694 0.710631 -0.159375   -0.0768726  0.0103633   126 ASP A OD1  
1878 O OD2  . ASP A 126 ? 0.795233 0.405198 0.679613 -0.164641   -0.0786407  -0.0452776  126 ASP A OD2  
1879 H H    . ASP A 126 ? 0.604199 0.378902 0.62653  -0.0766324  -0.0312901  -0.00092785 126 ASP A H    
1880 H HA   . ASP A 126 ? 0.585382 0.40668  0.612728 -0.111307   -0.0363824  -0.0066468  126 ASP A HA   
1881 H HB2  . ASP A 126 ? 0.64452  0.406114 0.65953  -0.123221   -0.040659   0.00961943  126 ASP A HB2  
1882 H HB3  . ASP A 126 ? 0.677755 0.394072 0.676207 -0.112828   -0.0415253  -0.00829696 126 ASP A HB3  
1883 N N    . LEU A 127 ? 0.661433 0.313104 0.559727 -0.101223   -0.0671628  -0.0659731  127 LEU A N    
1884 C CA   . LEU A 127 ? 0.641443 0.371336 0.580753 -0.0721778  -0.0326377  -0.0874072  127 LEU A CA   
1885 C C    . LEU A 127 ? 0.629402 0.439825 0.61261  -0.0953195  -0.0279375  -0.0853869  127 LEU A C    
1886 O O    . LEU A 127 ? 0.560087 0.478361 0.614988 -0.100371   -0.00439018 -0.09934    127 LEU A O    
1887 C CB   . LEU A 127 ? 0.599952 0.402994 0.573944 -0.052868   -0.0480954  -0.11154    127 LEU A CB   
1888 C CG   . LEU A 127 ? 0.587954 0.359984 0.580627 -0.0293325  -0.061219   -0.118823   127 LEU A CG   
1889 C CD1  . LEU A 127 ? 0.567393 0.445996 0.562055 -0.00345204 -0.0340846  -0.0794496  127 LEU A CD1  
1890 C CD2  . LEU A 127 ? 0.632051 0.406951 0.60449  0.0286824   -0.0495229  -0.102319   127 LEU A CD2  
1891 H H    . LEU A 127 ? 0.563931 0.403089 0.586362 -0.0980107  -0.0346891  -0.0281489  127 LEU A H    
1892 H HA   . LEU A 127 ? 0.637182 0.399021 0.617971 -0.0924433  -0.0343806  -0.0600842  127 LEU A HA   
1893 H HB2  . LEU A 127 ? 0.541436 0.395431 0.555725 -0.0741522  -0.0278445  -0.0485049  127 LEU A HB2  
1894 H HB3  . LEU A 127 ? 0.5793   0.400626 0.569444 -0.0749198  -0.0276826  -0.0665061  127 LEU A HB3  
1895 H HG   . LEU A 127 ? 0.557478 0.374526 0.574288 -0.0490431  -0.0200489  -0.0454079  127 LEU A HG   
1896 H HD11 . LEU A 127 ? 0.513257 0.378463 0.534035 -0.0395168  -0.0146852  -0.0540286  127 LEU A HD11 
1897 H HD12 . LEU A 127 ? 0.537246 0.37301  0.555031 -0.0228284  -0.00857045 -0.059523   127 LEU A HD12 
1898 H HD13 . LEU A 127 ? 0.551947 0.385172 0.551705 -0.038193   -0.0120535  -0.070932   127 LEU A HD13 
1899 H HD21 . LEU A 127 ? 0.637492 0.377969 0.623998 -0.0523584  -0.020427   -0.0633171  127 LEU A HD21 
1900 H HD22 . LEU A 127 ? 0.631405 0.384864 0.608049 -0.0456171  -0.014815   -0.079134   127 LEU A HD22 
1901 H HD23 . LEU A 127 ? 0.611028 0.372759 0.609483 -0.0268994  -0.0109342  -0.065499   127 LEU A HD23 
1902 N N    . ARG A 128 ? 0.689357 0.454752 0.67327  -0.097663   -0.0500795  -0.102343   128 ARG A N    
1903 C CA   . ARG A 128 ? 0.712863 0.55873  0.706358 -0.0857818  -0.0576244  -0.0871041  128 ARG A CA   
1904 C C    . ARG A 128 ? 0.742368 0.585397 0.679136 -0.041969   -0.0312735  -0.103      128 ARG A C    
1905 O O    . ARG A 128 ? 0.800057 0.55149  0.725722 0.0470303   -0.0191668  -0.13243    128 ARG A O    
1906 C CB   . ARG A 128 ? 0.766869 0.625214 0.727757 -0.136643   -0.0896948  -0.103736   128 ARG A CB   
1907 C CG   . ARG A 128 ? 0.770754 0.678555 0.754359 -0.167731   -0.0670144  -0.049925   128 ARG A CG   
1908 C CD   . ARG A 128 ? 0.726935 0.765135 0.768982 -0.180458   -0.0889241  -0.0204559  128 ARG A CD   
1909 N NE   . ARG A 128 ? 0.7175   0.772147 0.831899 -0.202436   -0.0868818  0.0433889   128 ARG A NE   
1910 C CZ   . ARG A 128 ? 0.735548 0.726213 0.850361 -0.223274   -0.130628   0.0464169   128 ARG A CZ   
1911 N NH1  . ARG A 128 ? 0.730806 0.812784 0.880981 -0.248583   -0.130352   0.0389129   128 ARG A NH1  
1912 N NH2  . ARG A 128 ? 0.732238 0.724441 0.853653 -0.170017   -0.139334   0.0772325   128 ARG A NH2  
1913 H H    . ARG A 128 ? 0.683432 0.427801 0.636801 -0.127386   -0.0476532  -0.0733951  128 ARG A H    
1914 H HA   . ARG A 128 ? 0.642057 0.471866 0.623066 -0.163911   -0.0653566  -0.0546001  128 ARG A HA   
1915 H HB2  . ARG A 128 ? 0.75725  0.471368 0.671075 -0.177386   -0.0688101  -0.0884809  128 ARG A HB2  
1916 H HB3  . ARG A 128 ? 0.732534 0.496833 0.670574 -0.201731   -0.0809452  -0.0708664  128 ARG A HB3  
1917 H HG2  . ARG A 128 ? 0.74011  0.44447  0.684202 -0.165749   -0.0614016  -0.0641589  128 ARG A HG2  
1918 H HG3  . ARG A 128 ? 0.789237 0.470998 0.713253 -0.200786   -0.0752385  -0.0692582  128 ARG A HG3  
1919 H HD2  . ARG A 128 ? 0.717852 0.499203 0.693909 -0.217498   -0.0811663  -0.0385203  128 ARG A HD2  
1920 H HD3  . ARG A 128 ? 0.671012 0.470744 0.661291 -0.182818   -0.0671057  -0.0362949  128 ARG A HD3  
1921 H HE   . ARG A 128 ? 0.720015 0.45042  0.698689 -0.182932   -0.0635642  -0.0278437  128 ARG A HE   
1922 H HH11 . ARG A 128 ? 0.803276 0.515782 0.754567 -0.258      -0.093557   -0.0363106  128 ARG A HH11 
1923 H HH12 . ARG A 128 ? 0.782051 0.534444 0.764319 -0.273781   -0.0940271  -0.0107823  128 ARG A HH12 
1924 H HH21 . ARG A 128 ? 0.760167 0.462515 0.741809 -0.210186   -0.068123   -0.00304667 128 ARG A HH21 
1925 H HH22 . ARG A 128 ? 0.794226 0.493616 0.772446 -0.248228   -0.0795479  0.00200132  128 ARG A HH22 
1926 N N    . ARG A 129 ? 0.701952 0.631296 0.682598 -0.0622766  -0.0441052  -0.0595862  129 ARG A N    
1927 C CA   . ARG A 129 ? 0.720063 0.623693 0.687512 -0.121944   -0.0366964  -0.0717608  129 ARG A CA   
1928 C C    . ARG A 129 ? 0.737346 0.646925 0.694756 -0.16799    -0.0503929  -0.0886677  129 ARG A C    
1929 O O    . ARG A 129 ? 0.771488 0.623816 0.697897 -0.220431   -0.013892   -0.10724    129 ARG A O    
1930 C CB   . ARG A 129 ? 0.688808 0.663124 0.709614 -0.142614   -0.0446496  -0.0752997  129 ARG A CB   
1931 C CG   . ARG A 129 ? 0.665357 0.641166 0.723131 -0.177489   -0.0570676  -0.0848695  129 ARG A CG   
1932 C CD   . ARG A 129 ? 0.66172  0.681286 0.774867 -0.196838   -0.11781    -0.0801915  129 ARG A CD   
1933 N NE   . ARG A 129 ? 0.72936  0.651291 0.769637 -0.150995   -0.0906106  -0.0595954  129 ARG A NE   
1934 C CZ   . ARG A 129 ? 0.74159  0.74205  0.697422 -0.0707655  -0.131126   -0.032498   129 ARG A CZ   
1935 N NH1  . ARG A 129 ? 0.62685  0.911385 0.732616 -0.0897865  -0.160091   -0.014376   129 ARG A NH1  
1936 N NH2  . ARG A 129 ? 0.79427  0.644814 0.699495 -0.0775474  -0.0880742  -0.0586192  129 ARG A NH2  
1937 H H    . ARG A 129 ? 0.613849 0.495502 0.595729 -0.16296    -0.0714183  -0.058738   129 ARG A H    
1938 H HA   . ARG A 129 ? 0.605953 0.479204 0.560043 -0.130747   -0.058186   -0.0800287  129 ARG A HA   
1939 H HB2  . ARG A 129 ? 0.609373 0.540413 0.583917 -0.176346   -0.087512   -0.0596807  129 ARG A HB2  
1940 H HB3  . ARG A 129 ? 0.596123 0.529295 0.557578 -0.155624   -0.0794279  -0.0679959  129 ARG A HB3  
1941 H HG2  . ARG A 129 ? 0.527126 0.495695 0.534836 -0.125885   -0.0633735  -0.04935    129 ARG A HG2  
1942 H HG3  . ARG A 129 ? 0.541428 0.495319 0.557199 -0.139252   -0.0653104  -0.0443113  129 ARG A HG3  
1943 H HD2  . ARG A 129 ? 0.540891 0.55323  0.579197 -0.168278   -0.0857068  -0.0276505  129 ARG A HD2  
1944 H HD3  . ARG A 129 ? 0.537705 0.557032 0.560585 -0.158688   -0.0878586  -0.0342546  129 ARG A HD3  
1945 H HE   . ARG A 129 ? 0.476707 0.520668 0.547362 -0.129587   -0.0646094  -0.0155655  129 ARG A HE   
1946 H HH11 . ARG A 129 ? 0.497093 0.595148 0.564266 -0.153324   -0.0955587  -0.00850979 129 ARG A HH11 
1947 H HH12 . ARG A 129 ? 0.477033 0.575822 0.538557 -0.130013   -0.0871315  -0.0104287  129 ARG A HH12 
1948 H HH21 . ARG A 129 ? 0.428912 0.512023 0.520631 -0.0982835  -0.0537667  -0.00592657 129 ARG A HH21 
1949 H HH22 . ARG A 129 ? 0.427853 0.534687 0.520874 -0.0976328  -0.0625308  -0.00170053 129 ARG A HH22 
1950 N N    . ASP A 130 ? 0.759858 0.633261 0.70916  -0.148446   -0.0346549  -0.069029   130 ASP A N    
1951 C CA   . ASP A 130 ? 0.851301 0.597582 0.715384 -0.152622   -0.0675327  -0.115782   130 ASP A CA   
1952 C C    . ASP A 130 ? 0.856854 0.641892 0.693969 -0.115172   -0.0565035  -0.111577   130 ASP A C    
1953 O O    . ASP A 130 ? 0.806831 0.541531 0.627059 -0.090089   -0.0917352  -0.0205224  130 ASP A O    
1954 C CB   . ASP A 130 ? 0.920274 0.680397 0.799019 -0.113026   -0.0495046  -0.168493   130 ASP A CB   
1955 C CG   . ASP A 130 ? 1.04094  0.744316 0.802529 -0.110728   -0.0472776  -0.216793   130 ASP A CG   
1956 O OD1  . ASP A 130 ? 1.08082  0.881201 0.799947 -0.109396   -0.0846227  -0.177494   130 ASP A OD1  
1957 O OD2  . ASP A 130 ? 1.07421  0.865996 0.731182 -0.145353   -0.100214   -0.316338   130 ASP A OD2  
1958 H H    . ASP A 130 ? 0.666304 0.490296 0.566531 -0.129719   -0.0534926  -0.109144   130 ASP A H    
1959 H HA   . ASP A 130 ? 0.772841 0.542366 0.607417 -0.179024   -0.0760014  -0.132298   130 ASP A HA   
1960 H HB2  . ASP A 130 ? 0.744616 0.496369 0.586939 -0.120433   -0.0386926  -0.143482   130 ASP A HB2  
1961 H HB3  . ASP A 130 ? 0.799916 0.529683 0.596266 -0.141399   -0.0463116  -0.160398   130 ASP A HB3  
1962 N N    . ASP A 131 ? 0.936005 0.687646 0.717743 -0.163024   -0.0608405  -0.121054   131 ASP A N    
1963 C CA   . ASP A 131 ? 0.919766 0.775852 0.775061 -0.167026   -0.019559   -0.0737828  131 ASP A CA   
1964 C C    . ASP A 131 ? 0.880892 0.75172  0.835135 -0.134995   0.0135934   -0.0191263  131 ASP A C    
1965 O O    . ASP A 131 ? 0.933901 0.740238 0.817948 -0.135683   0.0568678   -0.0134851  131 ASP A O    
1966 C CB   . ASP A 131 ? 0.979896 0.871806 0.78533  -0.16034    0.0136719   -0.135081   131 ASP A CB   
1967 C CG   . ASP A 131 ? 0.987914 0.876562 0.823347 -0.174677   0.0199076   -0.198732   131 ASP A CG   
1968 O OD1  . ASP A 131 ? 0.938892 0.942209 0.862708 -0.143764   0.0128192   -0.162488   131 ASP A OD1  
1969 O OD2  . ASP A 131 ? 1.08087  0.930244 0.827765 -0.149584   0.0571927   -0.265568   131 ASP A OD2  
1970 H H    . ASP A 131 ? 0.81884  0.584482 0.593674 -0.186389   -0.0779827  -0.153968   131 ASP A H    
1971 H HA   . ASP A 131 ? 0.747368 0.617947 0.559939 -0.193187   -0.0986193  -0.120865   131 ASP A HA   
1972 H HB2  . ASP A 131 ? 0.875027 0.64587  0.582756 -0.207307   -0.0887099  -0.169717   131 ASP A HB2  
1973 H HB3  . ASP A 131 ? 0.840287 0.672213 0.568958 -0.219479   -0.108024   -0.147407   131 ASP A HB3  
1974 N N    . ASP A 132 ? 0.820877 0.751967 0.773901 -0.11883    0.0277693   -0.00518358 132 ASP A N    
1975 C CA   . ASP A 132 ? 0.761954 0.684176 0.692007 -0.0770763  0.0217188   -0.0740053  132 ASP A CA   
1976 C C    . ASP A 132 ? 0.671211 0.59184  0.63055  -0.0477293  0.043411    -0.0677953  132 ASP A C    
1977 O O    . ASP A 132 ? 0.668789 0.566545 0.625737 -0.0539966  0.066394    -0.0559699  132 ASP A O    
1978 C CB   . ASP A 132 ? 0.812052 0.738217 0.788051 -0.0412292  0.0747595   -0.092962   132 ASP A CB   
1979 C CG   . ASP A 132 ? 0.886594 0.78732  0.838801 -0.073443   0.0502655   -0.102822   132 ASP A CG   
1980 O OD1  . ASP A 132 ? 0.858807 0.862408 0.884701 -0.0841453  0.0939128   -0.00888178 132 ASP A OD1  
1981 O OD2  . ASP A 132 ? 0.97722  0.810284 0.937809 -0.0675143  0.103084    -0.131129   132 ASP A OD2  
1982 H H    . ASP A 132 ? 0.77712  0.568141 0.553305 -0.141198   -0.0482267  -0.158318   132 ASP A H    
1983 H HA   . ASP A 132 ? 0.731397 0.589469 0.508034 -0.126603   -0.0425325  -0.14458    132 ASP A HA   
1984 H HB2  . ASP A 132 ? 0.803848 0.571813 0.546827 -0.106067   -0.0119445  -0.182302   132 ASP A HB2  
1985 H HB3  . ASP A 132 ? 0.781843 0.589273 0.521137 -0.102497   -0.00900932 -0.174931   132 ASP A HB3  
1986 N N    . ASP A 133 ? 0.659099 0.535296 0.558325 -0.0406131  -0.00902305 -0.0725942  133 ASP A N    
1987 C CA   . ASP A 133 ? 0.586272 0.445468 0.553413 -0.0509899  -0.00012445 -0.0748636  133 ASP A CA   
1988 C C    . ASP A 133 ? 0.524651 0.449636 0.518189 -0.0345698  -0.0209646  -0.0824622  133 ASP A C    
1989 O O    . ASP A 133 ? 0.557909 0.450398 0.524736 -0.0251008  -0.0434673  -0.0883327  133 ASP A O    
1990 C CB   . ASP A 133 ? 0.598856 0.429566 0.56142  -0.0508448  -0.0132307  -0.0553179  133 ASP A CB   
1991 C CG   . ASP A 133 ? 0.652627 0.403215 0.56372  -0.0393115  0.0120846   -0.0621426  133 ASP A CG   
1992 O OD1  . ASP A 133 ? 0.660868 0.430345 0.606902 -0.0245386  0.0534407   -0.0360087  133 ASP A OD1  
1993 O OD2  . ASP A 133 ? 0.698699 0.387004 0.564816 -0.0805943  -0.0128694  -0.0378565  133 ASP A OD2  
1994 H H    . ASP A 133 ? 0.664346 0.530698 0.51883  -0.115959   -0.0453647  -0.122881   133 ASP A H    
1995 H HA   . ASP A 133 ? 0.610876 0.48436  0.502507 -0.0700276  -0.0151698  -0.119145   133 ASP A HA   
1996 H HB2  . ASP A 133 ? 0.596549 0.492584 0.513447 -0.103351   -0.0446686  -0.0983848  133 ASP A HB2  
1997 H HB3  . ASP A 133 ? 0.559121 0.464967 0.499133 -0.0792086  -0.0307895  -0.0926531  133 ASP A HB3  
1998 N N    . ALA A 134 ? 0.492997 0.426565 0.499397 -0.0366646  0.00293249  -0.0893779  134 ALA A N    
1999 C CA   . ALA A 134 ? 0.43934  0.407637 0.478993 -0.0478888  -0.00529778 -0.0746682  134 ALA A CA   
2000 C C    . ALA A 134 ? 0.437132 0.373084 0.477639 -0.0707544  -0.0128513  -0.049346   134 ALA A C    
2001 O O    . ALA A 134 ? 0.439838 0.298505 0.5185   -0.0783223  -0.0268044  -0.0474412  134 ALA A O    
2002 C CB   . ALA A 134 ? 0.449935 0.365319 0.40906  -0.0473191  0.00623734  -0.0860417  134 ALA A CB   
2003 H H    . ALA A 134 ? 0.541448 0.467364 0.471215 -0.0518804  -0.00938949 -0.0983083  134 ALA A H    
2004 H HA   . ALA A 134 ? 0.511086 0.490952 0.446314 -0.0632463  -0.0257014  -0.0761327  134 ALA A HA   
2005 H HB1  . ALA A 134 ? 0.509689 0.477222 0.442588 -0.0407673  -0.00070512 -0.0870951  134 ALA A HB1  
2006 H HB2  . ALA A 134 ? 0.483312 0.450213 0.445433 -0.033725   -0.00109676 -0.0802814  134 ALA A HB2  
2007 H HB3  . ALA A 134 ? 0.47111  0.461763 0.431272 -0.0387276  -0.00720149 -0.0699025  134 ALA A HB3  
2008 N N    . LEU A 135 ? 0.415454 0.360852 0.476615 -0.0592748  -0.0124739  -0.032287   135 LEU A N    
2009 C CA   . LEU A 135 ? 0.456231 0.395459 0.450085 -0.0536311  -0.0219145  -0.0187644  135 LEU A CA   
2010 C C    . LEU A 135 ? 0.412595 0.410655 0.415394 -0.0159031  -0.00390788 -0.0198401  135 LEU A C    
2011 O O    . LEU A 135 ? 0.370909 0.397476 0.422172 -0.00100659 -0.0126971  -0.0213568  135 LEU A O    
2012 C CB   . LEU A 135 ? 0.449694 0.420173 0.47614  -0.0533932  -0.00615185 0.017457    135 LEU A CB   
2013 C CG   . LEU A 135 ? 0.529596 0.465026 0.501988 -0.0675837  -0.0436526  -0.022581   135 LEU A CG   
2014 C CD1  . LEU A 135 ? 0.544208 0.507715 0.587668 -0.0993398  -0.0522084  -0.0136646  135 LEU A CD1  
2015 C CD2  . LEU A 135 ? 0.586948 0.416635 0.48195  -0.0678655  -0.0119699  -0.0266042  135 LEU A CD2  
2016 H H    . LEU A 135 ? 0.468332 0.484313 0.444101 -0.0634701  -0.037473   -0.0520807  135 LEU A H    
2017 H HA   . LEU A 135 ? 0.440539 0.452845 0.455932 -0.0598087  -0.03403    -0.0448859  135 LEU A HA   
2018 H HB2  . LEU A 135 ? 0.457323 0.509337 0.467323 -0.0792881  -0.0572047  -0.0323891  135 LEU A HB2  
2019 H HB3  . LEU A 135 ? 0.442696 0.493581 0.474963 -0.0779519  -0.0526431  -0.0291625  135 LEU A HB3  
2020 H HG   . LEU A 135 ? 0.507953 0.507943 0.477277 -0.0940897  -0.0557606  -0.05858    135 LEU A HG   
2021 H HD11 . LEU A 135 ? 0.507097 0.555131 0.49759  -0.115612   -0.0799818  -0.038101   135 LEU A HD11 
2022 H HD12 . LEU A 135 ? 0.533757 0.545673 0.509684 -0.12677    -0.0783567  -0.0517956  135 LEU A HD12 
2023 H HD13 . LEU A 135 ? 0.491252 0.539485 0.507488 -0.115176   -0.0753423  -0.0333701  135 LEU A HD13 
2024 H HD21 . LEU A 135 ? 0.489801 0.466611 0.481458 -0.0813019  -0.0421853  -0.0596128  135 LEU A HD21 
2025 H HD22 . LEU A 135 ? 0.479717 0.481335 0.493471 -0.0934186  -0.0518625  -0.0460324  135 LEU A HD22 
2026 H HD23 . LEU A 135 ? 0.522225 0.491701 0.50178  -0.104328   -0.0555164  -0.0626167  135 LEU A HD23 
2027 N N    . ALA A 136 ? 0.37879  0.413179 0.398132 -0.0112477  -0.0295857  -0.023123   136 ALA A N    
2028 C CA   . ALA A 136 ? 0.341584 0.392894 0.376036 -0.0115645  -0.0311778  -0.0215079  136 ALA A CA   
2029 C C    . ALA A 136 ? 0.337497 0.430157 0.367233 -0.022325   -0.0631213  -0.0209107  136 ALA A C    
2030 O O    . ALA A 136 ? 0.335888 0.438939 0.41576  -0.06336    -0.0727197  -0.0128889  136 ALA A O    
2031 C CB   . ALA A 136 ? 0.303678 0.347999 0.353905 0.0335411   0.00246496  -0.0241872  136 ALA A CB   
2032 H H    . ALA A 136 ? 0.401563 0.442356 0.450778 -0.0478568  -0.029596   -0.0269488  136 ALA A H    
2033 H HA   . ALA A 136 ? 0.378981 0.430845 0.430565 -0.0272848  -0.0209179  -0.018374   136 ALA A HA   
2034 H HB1  . ALA A 136 ? 0.371439 0.412656 0.43584  -0.0278543  -0.0147805  -0.0199372  136 ALA A HB1  
2035 H HB2  . ALA A 136 ? 0.372268 0.43491  0.451303 -0.0345004  -0.0204557  -0.0115319  136 ALA A HB2  
2036 H HB3  . ALA A 136 ? 0.362408 0.422306 0.438852 -0.0212035  -0.013585   -0.0099242  136 ALA A HB3  
2037 N N    . PRO A 137 ? 0.349451 0.434877 0.355101 -0.0163298  -0.0645922  -0.0174695  137 PRO A N    
2038 C CA   . PRO A 137 ? 0.361411 0.476186 0.389468 0.00546652  -0.0634361  -0.0022364  137 PRO A CA   
2039 C C    . PRO A 137 ? 0.303711 0.478493 0.427057 0.00957753  -0.0575545  -0.00633382 137 PRO A C    
2040 O O    . PRO A 137 ? 0.225385 0.485766 0.409638 0.0424518   -0.054171   -0.0207875  137 PRO A O    
2041 C CB   . PRO A 137 ? 0.359002 0.499255 0.366419 0.00384706  -0.0662831  0.0179501   137 PRO A CB   
2042 C CG   . PRO A 137 ? 0.340884 0.451092 0.421228 0.0274111   -0.0658895  7.098e-05   137 PRO A CG   
2043 C CD   . PRO A 137 ? 0.351862 0.425213 0.40794  -0.00630213 -0.0610529  -0.0194205  137 PRO A CD   
2044 H HA   . PRO A 137 ? 0.38292  0.504358 0.47398  -0.0237585  -0.0422716  0.0184933   137 PRO A HA   
2045 H HB2  . PRO A 137 ? 0.376708 0.485423 0.476225 0.00494109  -0.026704   0.0281924   137 PRO A HB2  
2046 H HB3  . PRO A 137 ? 0.385003 0.483006 0.459379 -0.00743688 -0.0335761  0.0207651   137 PRO A HB3  
2047 H HG2  . PRO A 137 ? 0.365743 0.442205 0.450381 0.00418946  -0.0118743  0.0111366   137 PRO A HG2  
2048 H HG3  . PRO A 137 ? 0.37416  0.440004 0.440259 0.00156806  -0.0158707  0.0101351   137 PRO A HG3  
2049 H HD2  . PRO A 137 ? 0.364118 0.426024 0.431699 -0.011189   -0.0140519  -0.00477008 137 PRO A HD2  
2050 H HD3  . PRO A 137 ? 0.375304 0.438246 0.428588 -0.015238   -0.0203991  -0.00475518 137 PRO A HD3  
2051 N N    . ALA A 138 ? 0.288602 0.478365 0.466291 0.0095312   -0.0739267  -0.0132232  138 ALA A N    
2052 C CA   . ALA A 138 ? 0.3001   0.501879 0.466086 -0.0182883  -0.0476471  0.0112696   138 ALA A CA   
2053 C C    . ALA A 138 ? 0.321143 0.529032 0.482506 -0.0205257  -0.0382372  -0.00798627 138 ALA A C    
2054 O O    . ALA A 138 ? 0.356096 0.563382 0.482806 0.0214245   -0.0340771  -0.00287465 138 ALA A O    
2055 C CB   . ALA A 138 ? 0.303327 0.525897 0.504645 -0.0208688  -0.0440041  0.00427509  138 ALA A CB   
2056 H H    . ALA A 138 ? 0.374401 0.540664 0.512111 -0.0159755  -0.0430572  0.0378327   138 ALA A H    
2057 H HA   . ALA A 138 ? 0.35798  0.527147 0.51962  -0.00995197 -0.0202897  0.0351085   138 ALA A HA   
2058 H HB1  . ALA A 138 ? 0.369837 0.580625 0.547437 -0.0331222  -0.0461553  0.0465331   138 ALA A HB1  
2059 H HB2  . ALA A 138 ? 0.370104 0.598419 0.5623   -0.0147076  -0.0467009  0.0595432   138 ALA A HB2  
2060 H HB3  . ALA A 138 ? 0.361348 0.597427 0.570064 -0.0147615  -0.033589   0.0584326   138 ALA A HB3  
2061 N N    . LEU A 139 ? 0.294185 0.557021 0.512166 -0.0178108  0.015201    -0.00894336 139 LEU A N    
2062 C CA   . LEU A 139 ? 0.262481 0.568106 0.527055 0.00177655  0.0172778   -0.0280869  139 LEU A CA   
2063 C C    . LEU A 139 ? 0.283423 0.611531 0.574194 -0.00393611 0.015513    -0.0480619  139 LEU A C    
2064 O O    . LEU A 139 ? 0.261586 0.595868 0.582617 -0.00496171 0.035915    -0.0751791  139 LEU A O    
2065 C CB   . LEU A 139 ? 0.245118 0.536905 0.541372 -0.0103651  0.0289196   -0.0312081  139 LEU A CB   
2066 C CG   . LEU A 139 ? 0.238632 0.50952  0.527528 -0.0261007  -0.0121314  -0.0113553  139 LEU A CG   
2067 C CD1  . LEU A 139 ? 0.286383 0.535679 0.523423 -0.0180624  -0.00465794 0.0113371   139 LEU A CD1  
2068 C CD2  . LEU A 139 ? 0.238325 0.508436 0.49372  -0.0167736  -0.0568479  -0.0181179  139 LEU A CD2  
2069 H H    . LEU A 139 ? 0.356763 0.534304 0.539092 0.0174211   0.00247028  0.0427135   139 LEU A H    
2070 H HA   . LEU A 139 ? 0.494713 0.660442 0.679931 0.0521258   0.0074407   0.053941    139 LEU A HA   
2071 H HB2  . LEU A 139 ? 0.369317 0.515121 0.538447 0.0435104   0.030129    0.0362757   139 LEU A HB2  
2072 H HB3  . LEU A 139 ? 0.384663 0.517894 0.553234 0.0640324   0.0358381   0.0400175   139 LEU A HB3  
2073 H HG   . LEU A 139 ? 0.36499  0.472982 0.498094 0.0299905   0.0136502   0.0251043   139 LEU A HG   
2074 H HD11 . LEU A 139 ? 0.3762   0.460932 0.495554 0.0390524   0.0361061   0.016812    139 LEU A HD11 
2075 H HD12 . LEU A 139 ? 0.379981 0.439007 0.480036 0.0389304   0.0294723   0.0126318   139 LEU A HD12 
2076 H HD13 . LEU A 139 ? 0.392932 0.462949 0.508847 0.0558557   0.0414402   0.0192052   139 LEU A HD13 
2077 H HD21 . LEU A 139 ? 0.492662 0.601406 0.629716 0.0450845   0.00601924  0.0376959   139 LEU A HD21 
2078 H HD22 . LEU A 139 ? 0.506977 0.593707 0.638993 0.061495    0.0221739   0.0351191   139 LEU A HD22 
2079 H HD23 . LEU A 139 ? 0.496187 0.567945 0.606297 0.0435175   0.0140292   0.0252138   139 LEU A HD23 
2080 N N    . ASP A 140 ? 0.318256 0.601049 0.603021 0.0189325   -0.00383027 -0.0792889  140 ASP A N    
2081 C CA   . ASP A 140 ? 0.376186 0.693459 0.682155 0.0360037   0.0168332   -0.0959929  140 ASP A CA   
2082 C C    . ASP A 140 ? 0.430968 0.693275 0.741805 0.032191    0.0452077   -0.154192   140 ASP A C    
2083 O O    . ASP A 140 ? 0.41204  0.660658 0.737054 0.0331871   0.0646521   -0.186412   140 ASP A O    
2084 C CB   . ASP A 140 ? 0.427045 0.746608 0.734577 0.0561023   -0.0353854  -0.0413987  140 ASP A CB   
2085 C CG   . ASP A 140 ? 0.487748 0.733912 0.762506 0.0783119   -0.0433703  -0.0257209  140 ASP A CG   
2086 O OD1  . ASP A 140 ? 0.534599 0.695187 0.759309 0.0593585   -0.0116279  -0.085862   140 ASP A OD1  
2087 O OD2  . ASP A 140 ? 0.645184 0.766961 0.816563 0.0838385   -0.00464046 0.0129109   140 ASP A OD2  
2088 H H    . ASP A 140 ? 0.505588 0.718386 0.740194 0.0778046   0.013351    0.0763659   140 ASP A H    
2089 H HA   . ASP A 140 ? 0.375233 0.669174 0.672591 0.0763358   0.0252335   0.091496    140 ASP A HA   
2090 H HB2  . ASP A 140 ? 0.393079 0.72108  0.732596 0.109841    0.0210007   0.117098    140 ASP A HB2  
2091 H HB3  . ASP A 140 ? 0.386625 0.687227 0.691186 0.0869977   0.00034718  0.109066    140 ASP A HB3  
2092 N N    . ASP A 141 ? 0.451382 0.674021 0.818555 0.0193742   0.109426    -0.176315   141 ASP A N    
2093 C CA   . ASP A 141 ? 0.547398 0.693987 0.842393 0.0205245   0.171125    -0.185259   141 ASP A CA   
2094 C C    . ASP A 141 ? 0.558843 0.68796  0.855988 0.0253853   0.187097    -0.205733   141 ASP A C    
2095 O O    . ASP A 141 ? 0.585298 0.741623 0.887696 0.0291162   0.231019    -0.243823   141 ASP A O    
2096 C CB   . ASP A 141 ? 0.627344 0.81252  0.937879 0.0279757   0.218897    -0.180615   141 ASP A CB   
2097 C CG   . ASP A 141 ? 0.668856 0.882961 0.937985 0.0407788   0.194202    -0.160856   141 ASP A CG   
2098 O OD1  . ASP A 141 ? 0.564886 0.910879 0.890006 0.0109764   0.140874    -0.127416   141 ASP A OD1  
2099 O OD2  . ASP A 141 ? 0.71691  0.957398 0.977867 0.0880007   0.237798    -0.195978   141 ASP A OD2  
2100 H H    . ASP A 141 ? 0.404257 0.719046 0.742751 0.128982    0.0608134   0.104362    141 ASP A H    
2101 H HA   . ASP A 141 ? 0.425676 0.663739 0.700479 0.13243     0.0964965   0.071608    141 ASP A HA   
2102 H HB2  . ASP A 141 ? 0.422796 0.773296 0.796197 0.156258    0.10073     0.108152    141 ASP A HB2  
2103 H HB3  . ASP A 141 ? 0.448115 0.752619 0.787365 0.17073     0.12801     0.0906478   141 ASP A HB3  
2104 N N    . SER A 142 ? 0.555512 0.619983 0.881413 0.0419183   0.142322    -0.170695   142 SER A N    
2105 C CA   . SER A 142 ? 0.568554 0.605292 0.876358 0.0536909   0.139263    -0.142192   142 SER A CA   
2106 C C    . SER A 142 ? 0.541116 0.562352 0.845149 0.0345211   0.168356    -0.132735   142 SER A C    
2107 O O    . SER A 142 ? 0.578086 0.537042 0.879976 0.0552831   0.179441    -0.155861   142 SER A O    
2108 C CB   . SER A 142 ? 0.554036 0.585361 0.885163 0.0422447   0.0888855   -0.119745   142 SER A CB   
2109 O OG   . SER A 142 ? 0.505974 0.531229 0.894135 0.0424595   0.0249565   -0.123222   142 SER A OG   
2110 H H    . SER A 142 ? 0.449679 0.682487 0.751287 0.16969     0.0749603   0.0968809   142 SER A H    
2111 H HA   . SER A 142 ? 0.515515 0.666031 0.78074  0.213259    0.113928    0.0803721   142 SER A HA   
2112 H HB2  . SER A 142 ? 0.527097 0.636218 0.772007 0.212064    0.0873588   0.0894809   142 SER A HB2  
2113 H HB3  . SER A 142 ? 0.492868 0.671858 0.779922 0.201189    0.0719331   0.105439    142 SER A HB3  
2115 N N    . TRP A 143 ? 0.511653 0.591093 0.798448 0.0169848   0.142913    -0.0926938  143 TRP A N    
2116 C CA   . TRP A 143 ? 0.527309 0.55677  0.764761 -0.00105545 0.127899    -0.0458316  143 TRP A CA   
2117 C C    . TRP A 143 ? 0.534326 0.597105 0.816438 -0.0298696  0.164606    -0.00072625 143 TRP A C    
2118 O O    . TRP A 143 ? 0.583934 0.653656 0.922372 -0.0971418  0.127081    -0.0100958  143 TRP A O    
2119 C CB   . TRP A 143 ? 0.506228 0.501606 0.699012 -0.0101618  0.101458    -0.0108333  143 TRP A CB   
2120 C CG   . TRP A 143 ? 0.471776 0.51782  0.649643 0.0303197   0.079196    -0.0266233  143 TRP A CG   
2121 C CD1  . TRP A 143 ? 0.467023 0.544948 0.672456 0.0125501   0.063295    -0.0322449  143 TRP A CD1  
2122 C CD2  . TRP A 143 ? 0.462571 0.471101 0.607348 0.0363966   0.0549953   -0.0304142  143 TRP A CD2  
2123 N NE1  . TRP A 143 ? 0.488463 0.535546 0.61428  0.042184    0.0606978   -0.0515621  143 TRP A NE1  
2124 C CE2  . TRP A 143 ? 0.476575 0.480691 0.615872 0.032049    0.0651474   -0.0451606  143 TRP A CE2  
2125 C CE3  . TRP A 143 ? 0.464491 0.429696 0.566671 0.0572097   0.0682156   -0.0490079  143 TRP A CE3  
2126 C CZ2  . TRP A 143 ? 0.493387 0.41456  0.578922 0.0329197   0.0607696   -0.0509334  143 TRP A CZ2  
2127 C CZ3  . TRP A 143 ? 0.490915 0.41349  0.544306 0.0567966   0.0519485   -0.00453942 143 TRP A CZ3  
2128 C CH2  . TRP A 143 ? 0.517147 0.43109  0.564247 0.0407708   0.0423584   -0.00470808 143 TRP A CH2  
2129 H H    . TRP A 143 ? 0.449296 0.596564 0.667803 0.141422    0.0829635   0.059658    143 TRP A H    
2130 H HA   . TRP A 143 ? 0.490145 0.53046  0.627618 0.139728    0.0954693   0.0306277   143 TRP A HA   
2131 H HB2  . TRP A 143 ? 0.425158 0.539928 0.596744 0.103026    0.0710393   0.0395237   143 TRP A HB2  
2132 H HB3  . TRP A 143 ? 0.441482 0.504275 0.570753 0.0994923   0.0765529   0.0241253   143 TRP A HB3  
2133 H HD1  . TRP A 143 ? 0.41772  0.551335 0.60927  0.103905    0.0407377   0.059244    143 TRP A HD1  
2134 H HE1  . TRP A 143 ? 0.429185 0.518521 0.58459  0.0967297   0.0225702   0.0592224   143 TRP A HE1  
2135 H HE3  . TRP A 143 ? 0.474458 0.458625 0.55043  0.0983647   0.0721336   0.0118575   143 TRP A HE3  
2136 H HZ2  . TRP A 143 ? 0.455361 0.462157 0.549236 0.087615    0.0247959   0.0435212   143 TRP A HZ2  
2137 H HZ3  . TRP A 143 ? 0.490966 0.423228 0.529419 0.0851242   0.0586613   0.00728044  143 TRP A HZ3  
2138 H HH2  . TRP A 143 ? 0.479624 0.424838 0.529647 0.0806593   0.0380875   0.0235945   143 TRP A HH2  
2139 N N    . VAL A 144 ? 0.544167 0.590004 0.784517 -0.0151327  0.180194    0.0284398   144 VAL A N    
2140 C CA   . VAL A 144 ? 0.521853 0.669676 0.788561 0.0340355   0.186175    0.0796658   144 VAL A CA   
2141 C C    . VAL A 144 ? 0.48766  0.642748 0.759767 0.0683563   0.235618    0.134986    144 VAL A C    
2142 O O    . VAL A 144 ? 0.519226 0.60706  0.725875 0.0766205   0.252976    0.16361     144 VAL A O    
2143 C CB   . VAL A 144 ? 0.524122 0.661157 0.829598 0.0631557   0.177548    0.0590978   144 VAL A CB   
2144 C CG1  . VAL A 144 ? 0.52339  0.691898 0.873333 0.107685    0.178308    0.0821255   144 VAL A CG1  
2145 C CG2  . VAL A 144 ? 0.595269 0.647692 0.799637 0.0542882   0.15078     0.0588015   144 VAL A CG2  
2146 H H    . VAL A 144 ? 0.522892 0.524618 0.618547 0.139518    0.121823    0.00916476  144 VAL A H    
2147 H HA   . VAL A 144 ? 0.509092 0.574259 0.629817 0.134235    0.144543    0.0114779   144 VAL A HA   
2148 H HB   . VAL A 144 ? 0.584293 0.592089 0.662201 0.162924    0.181533    -0.00650454 144 VAL A HB   
2149 H HG11 . VAL A 144 ? 0.559153 0.614813 0.713767 0.191359    0.163903    0.023139    144 VAL A HG11 
2150 H HG12 . VAL A 144 ? 0.550383 0.64208  0.714273 0.183986    0.178023    0.0222178   144 VAL A HG12 
2151 H HG13 . VAL A 144 ? 0.601652 0.638685 0.737453 0.208144    0.194726    0.011466    144 VAL A HG13 
2152 H HG21 . VAL A 144 ? 0.640194 0.573718 0.691739 0.189773    0.185407    -0.0138997  144 VAL A HG21 
2153 H HG22 . VAL A 144 ? 0.613305 0.537144 0.638599 0.15658     0.165287    -0.0201632  144 VAL A HG22 
2154 H HG23 . VAL A 144 ? 0.596441 0.545477 0.663431 0.171799    0.156067    -0.00364664 144 VAL A HG23 
2155 N N    . GLY A 145 ? 0.499098 0.729117 0.825322 0.0413213   0.253746    0.19033     145 GLY A N    
2156 C CA   . GLY A 145 ? 0.572343 0.729285 0.761669 0.0588102   0.218653    0.191075    145 GLY A CA   
2157 C C    . GLY A 145 ? 0.558959 0.687925 0.733876 0.0614803   0.279617    0.175412    145 GLY A C    
2158 O O    . GLY A 145 ? 0.618832 0.648618 0.693987 0.100439    0.325129    0.164894    145 GLY A O    
2159 H H    . GLY A 145 ? 0.52129  0.551752 0.584305 0.106838    0.148837    -0.00624218 145 GLY A H    
2160 H HA2  . GLY A 145 ? 0.573278 0.507712 0.552474 0.0966336   0.146114    -0.0314639  145 GLY A HA2  
2161 H HA3  . GLY A 145 ? 0.52486  0.486866 0.52725  0.0795946   0.122887    -0.0222964  145 GLY A HA3  
2162 N N    . GLU A 146 ? 0.586643 0.612883 0.67201  0.0802551   0.252111    0.138397    146 GLU A N    
2163 C CA   . GLU A 146 ? 0.627235 0.588119 0.608296 0.0534726   0.252595    0.0747477   146 GLU A CA   
2164 C C    . GLU A 146 ? 0.570601 0.482502 0.541436 0.0345566   0.21117     0.0584143   146 GLU A C    
2165 O O    . GLU A 146 ? 0.553112 0.399902 0.538044 0.0705482   0.188917    0.0254208   146 GLU A O    
2166 C CB   . GLU A 146 ? 0.771885 0.682086 0.633715 -0.00774357 0.254555    0.0258826   146 GLU A CB   
2167 C CG   . GLU A 146 ? 0.801179 0.77899  0.729179 -0.0440749  0.193998    0.00119822  146 GLU A CG   
2168 C CD   . GLU A 146 ? 0.913701 0.973897 0.759145 -0.105346   0.185494    -0.00144212 146 GLU A CD   
2169 O OE1  . GLU A 146 ? 0.858363 0.982388 0.720609 -0.1046     0.153143    0.0546756   146 GLU A OE1  
2170 O OE2  . GLU A 146 ? 1.03525  1.02066  0.743397 -0.110942   0.225698    -0.0363639  146 GLU A OE2  
2171 H H    . GLU A 146 ? 0.533253 0.480212 0.494025 0.0530999   0.1186      -0.0298998  146 GLU A H    
2172 H HA   . GLU A 146 ? 0.552562 0.534788 0.509036 0.0489441   0.144867    -0.0244716  146 GLU A HA   
2173 H HB2  . GLU A 146 ? 0.600087 0.52565  0.481555 0.029525    0.139711    -0.0393511  146 GLU A HB2  
2174 H HB3  . GLU A 146 ? 0.616442 0.52319  0.501163 0.049308    0.149981    -0.0470251  146 GLU A HB3  
2175 H HG2  . GLU A 146 ? 0.579106 0.471648 0.470065 0.0324064   0.113853    -0.0450455  146 GLU A HG2  
2176 H HG3  . GLU A 146 ? 0.558412 0.472827 0.453307 0.0166015   0.103674    -0.0373785  146 GLU A HG3  
2177 N N    . THR A 147 ? 0.519031 0.467875 0.492173 0.0656735   0.213986    0.0470802   147 THR A N    
2178 C CA   . THR A 147 ? 0.505556 0.452412 0.478377 0.051718    0.134601    0.0468501   147 THR A CA   
2179 C C    . THR A 147 ? 0.498277 0.482563 0.445834 0.0362933   0.127872    0.0469237   147 THR A C    
2180 O O    . THR A 147 ? 0.459111 0.4586   0.42642  0.033711    0.125848    0.0831026   147 THR A O    
2181 C CB   . THR A 147 ? 0.543597 0.452687 0.495732 0.0637829   0.0829293   0.040743    147 THR A CB   
2182 O OG1  . THR A 147 ? 0.47397  0.439767 0.522923 0.122662    0.0361499   0.0768158   147 THR A OG1  
2183 C CG2  . THR A 147 ? 0.6038   0.407842 0.506513 0.00841503  0.0606933   0.0344048   147 THR A CG2  
2184 H H    . THR A 147 ? 0.531606 0.528163 0.48228  0.0196512   0.126776    -0.0144656  147 THR A H    
2185 H HA   . THR A 147 ? 0.474767 0.472767 0.450758 0.00172899  0.0850206   -0.00750194 147 THR A HA   
2186 H HB   . THR A 147 ? 0.487071 0.534786 0.489005 0.0046105   0.114239    0.00598094  147 THR A HB   
2188 H HG21 . THR A 147 ? 0.451792 0.513525 0.481535 -0.0170086  0.0872163   0.0188411   147 THR A HG21 
2189 H HG22 . THR A 147 ? 0.450057 0.481495 0.458634 -0.016495   0.074255    0.0105084   147 THR A HG22 
2190 H HG23 . THR A 147 ? 0.477719 0.512018 0.467178 -0.0209394  0.0892511   0.0144986   147 THR A HG23 
2191 N N    . GLY A 148 ? 0.482659 0.478169 0.445504 -0.00166522 0.100423    0.0342761   148 GLY A N    
2192 C CA   . GLY A 148 ? 0.488104 0.435522 0.403754 -0.0493821  0.0842076   0.0195147   148 GLY A CA   
2193 C C    . GLY A 148 ? 0.506093 0.425986 0.460541 -0.0502791  0.049472    0.0165738   148 GLY A C    
2194 O O    . GLY A 148 ? 0.529941 0.441078 0.497827 -0.0692553  0.0353212   0.0220325   148 GLY A O    
2195 H H    . GLY A 148 ? 0.490822 0.462837 0.428677 -0.0174797  0.0684023   -0.00698271 148 GLY A H    
2196 H HA2  . GLY A 148 ? 0.594054 0.544727 0.466318 -0.0326696  0.0798824   -0.00619723 148 GLY A HA2  
2197 H HA3  . GLY A 148 ? 0.563419 0.515109 0.456468 -0.0357841  0.0579685   -0.00274666 148 GLY A HA3  
2198 N N    . GLU A 149 ? 0.483697 0.420824 0.467503 -0.079911   0.0278704   0.0120794   149 GLU A N    
2199 C CA   . GLU A 149 ? 0.467518 0.436537 0.465938 -0.0795275  0.054181    0.0153872   149 GLU A CA   
2200 C C    . GLU A 149 ? 0.430657 0.387009 0.451862 -0.0789568  0.0432201   0.0449073   149 GLU A C    
2201 O O    . GLU A 149 ? 0.413188 0.311778 0.452065 -0.0771808  0.0309976   0.0380791   149 GLU A O    
2202 C CB   . GLU A 149 ? 0.480512 0.52816  0.492516 -0.0746318  0.0390761   0.0075777   149 GLU A CB   
2203 C CG   . GLU A 149 ? 0.544751 0.553147 0.518733 -0.0878204  0.0669802   -0.0378967  149 GLU A CG   
2204 C CD   . GLU A 149 ? 0.553032 0.544397 0.578773 -0.108396   0.0788151   -0.0138507  149 GLU A CD   
2205 O OE1  . GLU A 149 ? 0.583727 0.56673  0.599319 -0.157126   0.0974108   0.00760372  149 GLU A OE1  
2206 O OE2  . GLU A 149 ? 0.535158 0.531605 0.602199 -0.0873465  0.103016    -0.0297848  149 GLU A OE2  
2207 H H    . GLU A 149 ? 0.562588 0.51529  0.423111 -0.0546512  0.0582639   0.0141624   149 GLU A H    
2208 H HA   . GLU A 149 ? 0.544801 0.530496 0.447323 -0.0606278  0.0660602   0.0349529   149 GLU A HA   
2209 H HB2  . GLU A 149 ? 0.591404 0.540994 0.429067 -0.0747513  0.0436192   0.0374246   149 GLU A HB2  
2210 H HB3  . GLU A 149 ? 0.59074  0.553307 0.443746 -0.0795921  0.0503866   0.0503623   149 GLU A HB3  
2211 H HG2  . GLU A 149 ? 0.618292 0.571778 0.433894 -0.0655159  0.0815303   0.0208782   149 GLU A HG2  
2212 H HG3  . GLU A 149 ? 0.64613  0.59618  0.436171 -0.0814856  0.0748341   0.035863    149 GLU A HG3  
2213 N N    . TRP A 150 ? 0.398626 0.393725 0.413217 -0.099145   0.0575884   0.0401107   150 TRP A N    
2214 C CA   . TRP A 150 ? 0.419837 0.34134  0.439649 -0.0844414  0.0102292   0.0404585   150 TRP A CA   
2215 C C    . TRP A 150 ? 0.444908 0.34422  0.421906 -0.100355   0.0010312   0.0315012   150 TRP A C    
2216 O O    . TRP A 150 ? 0.458633 0.381803 0.444526 -0.108244   0.0270423   0.0618259   150 TRP A O    
2217 C CB   . TRP A 150 ? 0.411988 0.346789 0.467109 -0.0910216  -0.00238884 0.0276489   150 TRP A CB   
2218 C CG   . TRP A 150 ? 0.410024 0.355994 0.495703 -0.104521   -0.0097999  0.0319644   150 TRP A CG   
2219 C CD1  . TRP A 150 ? 0.435561 0.422606 0.499974 -0.0984209  0.0155536   0.0205409   150 TRP A CD1  
2220 C CD2  . TRP A 150 ? 0.376007 0.315925 0.496501 -0.119141   0.00035938  0.0389436   150 TRP A CD2  
2221 N NE1  . TRP A 150 ? 0.367932 0.409851 0.551976 -0.113316   -0.0075134  0.0197156   150 TRP A NE1  
2222 C CE2  . TRP A 150 ? 0.381341 0.359985 0.502829 -0.104281   0.00115291  0.0458447   150 TRP A CE2  
2223 C CE3  . TRP A 150 ? 0.358467 0.288456 0.491471 -0.108053   -0.0249293  0.0365653   150 TRP A CE3  
2224 C CZ2  . TRP A 150 ? 0.354309 0.35406  0.510726 -0.106061   -0.00663537 0.0511234   150 TRP A CZ2  
2225 C CZ3  . TRP A 150 ? 0.356686 0.295751 0.4896   -0.108469   -0.0272453  0.0436427   150 TRP A CZ3  
2226 C CH2  . TRP A 150 ? 0.365051 0.336801 0.509198 -0.0886347  -0.0200638  0.0390732   150 TRP A CH2  
2227 H H    . TRP A 150 ? 0.535945 0.515378 0.459066 -0.0728889  0.0419694   0.0545165   150 TRP A H    
2228 H HA   . TRP A 150 ? 0.495748 0.462846 0.454095 -0.0606163  0.0153638   0.0478209   150 TRP A HA   
2229 H HB2  . TRP A 150 ? 0.541016 0.50531  0.481897 -0.0832813  0.0224535   0.0737865   150 TRP A HB2  
2230 H HB3  . TRP A 150 ? 0.524354 0.475895 0.484855 -0.0752698  0.00678807  0.0710415   150 TRP A HB3  
2231 H HD1  . TRP A 150 ? 0.521796 0.524084 0.496739 -0.0865854  0.0456711   0.069608    150 TRP A HD1  
2232 H HE1  . TRP A 150 ? 0.484176 0.511369 0.508963 -0.0833591  0.0444901   0.0612883   150 TRP A HE1  
2233 H HE3  . TRP A 150 ? 0.471579 0.430612 0.474312 -0.0562179  0.00255644  0.0467254   150 TRP A HE3  
2234 H HZ2  . TRP A 150 ? 0.448451 0.465957 0.502374 -0.0734446  0.0246877   0.0444532   150 TRP A HZ2  
2235 H HZ3  . TRP A 150 ? 0.443815 0.407696 0.476108 -0.0495257  0.00095875  0.0319308   150 TRP A HZ3  
2236 H HH2  . TRP A 150 ? 0.43532  0.423892 0.487015 -0.0600664  0.00903091  0.0305193   150 TRP A HH2  
2237 N N    . LEU A 151 ? 0.453878 0.337041 0.421993 -0.0748335  0.00210822  0.013789    151 LEU A N    
2238 C CA   . LEU A 151 ? 0.481957 0.331804 0.398929 -0.0663686  -0.0124884  0.0188266   151 LEU A CA   
2239 C C    . LEU A 151 ? 0.471895 0.325299 0.422712 -0.050359   -0.0216151  0.029453    151 LEU A C    
2240 O O    . LEU A 151 ? 0.459581 0.275877 0.395707 -0.0218993  0.00678379  0.0285025   151 LEU A O    
2241 C CB   . LEU A 151 ? 0.489119 0.365687 0.431366 -0.0854317  -0.00671957 -0.00459898 151 LEU A CB   
2242 C CG   . LEU A 151 ? 0.538725 0.382419 0.446739 -0.0860264  0.00820079  0.00697634  151 LEU A CG   
2243 C CD1  . LEU A 151 ? 0.593312 0.378519 0.446334 -0.0758888  0.00982197  0.0349766   151 LEU A CD1  
2244 C CD2  . LEU A 151 ? 0.597187 0.442822 0.458471 -0.102725   0.01513     0.0309823   151 LEU A CD2  
2245 H H    . LEU A 151 ? 0.498588 0.450613 0.45713  -0.056363   -0.00779305 0.0539011   151 LEU A H    
2246 H HA   . LEU A 151 ? 0.55104  0.491657 0.463804 -0.069673   -0.0259097  0.0761945   151 LEU A HA   
2247 H HB2  . LEU A 151 ? 0.494997 0.450343 0.448189 -0.0511091  -0.0249268  0.0507525   151 LEU A HB2  
2248 H HB3  . LEU A 151 ? 0.522479 0.475198 0.454647 -0.0589237  -0.0380188  0.0636526   151 LEU A HB3  
2249 H HG   . LEU A 151 ? 0.52256  0.474135 0.430821 -0.0622714  -0.00434203 0.0431981   151 LEU A HG   
2250 H HD11 . LEU A 151 ? 0.490305 0.447994 0.422436 -0.0522657  -0.0129266  0.0301701   151 LEU A HD11 
2251 H HD12 . LEU A 151 ? 0.523214 0.47107  0.415871 -0.0627398  -0.0118975  0.0288118   151 LEU A HD12 
2252 H HD13 . LEU A 151 ? 0.51012  0.467025 0.427919 -0.0600054  -0.0289919  0.0397719   151 LEU A HD13 
2253 H HD21 . LEU A 151 ? 0.573847 0.51508  0.439616 -0.0788961  -0.0200378  0.0638175   151 LEU A HD21 
2254 H HD22 . LEU A 151 ? 0.567058 0.511642 0.435178 -0.0777605  -0.0331551  0.0588345   151 LEU A HD22 
2255 H HD23 . LEU A 151 ? 0.574385 0.513269 0.42374  -0.0784606  -0.0114955  0.04645     151 LEU A HD23 
2256 N N    . ALA A 152 ? 0.520957 0.320958 0.420651 -0.0610243  -0.0548735  0.0220058   152 ALA A N    
2257 C CA   . ALA A 152 ? 0.507417 0.332769 0.48079  -0.0370012  -0.0523401  0.052116    152 ALA A CA   
2258 C C    . ALA A 152 ? 0.511718 0.301837 0.494106 -0.0455891  -0.0665235  0.0743995   152 ALA A C    
2259 O O    . ALA A 152 ? 0.476481 0.330552 0.495896 -0.0365758  -0.0741111  0.0848155   152 ALA A O    
2260 C CB   . ALA A 152 ? 0.54719  0.357066 0.50957  -0.0161685  -0.056232   0.05885     152 ALA A CB   
2261 H H    . ALA A 152 ? 0.564026 0.495429 0.496184 -0.0635374  -0.0503745  0.0981413   152 ALA A H    
2262 H HA   . ALA A 152 ? 0.546472 0.459457 0.532019 -0.0432292  -0.0529175  0.0974108   152 ALA A HA   
2263 H HB1  . ALA A 152 ? 0.598741 0.500959 0.547179 -0.0589033  -0.0653053  0.127073    152 ALA A HB1  
2264 H HB2  . ALA A 152 ? 0.592456 0.51329  0.541153 -0.0546888  -0.0767292  0.12714     152 ALA A HB2  
2265 H HB3  . ALA A 152 ? 0.59064  0.494571 0.568474 -0.0413602  -0.0770027  0.129574    152 ALA A HB3  
2266 N N    . SER A 153 ? 0.497017 0.268438 0.48876  -0.0478958  -0.0478284  0.0749334   153 SER A N    
2267 C CA   . SER A 153 ? 0.453633 0.313396 0.530196 -0.0662265  -0.0611231  0.0745096   153 SER A CA   
2268 C C    . SER A 153 ? 0.42145  0.404062 0.54645  -0.0684043  -0.0667401  0.0978478   153 SER A C    
2269 O O    . SER A 153 ? 0.376033 0.395379 0.553477 -0.0649892  -0.0781444  0.11097     153 SER A O    
2270 C CB   . SER A 153 ? 0.448151 0.293631 0.536376 -0.07072    -0.0760724  0.0717977   153 SER A CB   
2271 O OG   . SER A 153 ? 0.490024 0.258509 0.55172  -0.0294619  -0.0689212  0.111205    153 SER A OG   
2272 H H    . SER A 153 ? 0.515126 0.438409 0.538074 -0.0219292  -0.0543718  0.0826615   153 SER A H    
2273 H HA   . SER A 153 ? 0.494506 0.459092 0.533809 -0.0135747  -0.0672777  0.0825266   153 SER A HA   
2274 H HB2  . SER A 153 ? 0.467652 0.4226   0.522262 -0.00543592 -0.048465   0.0587074   153 SER A HB2  
2275 H HB3  . SER A 153 ? 0.490918 0.420965 0.550784 0.00014793  -0.0505864  0.066885    153 SER A HB3  
2277 N N    . ARG A 154 ? 0.403951 0.433641 0.556967 -0.0818939  -0.0606472  0.0846126   154 ARG A N    
2278 C CA   . ARG A 154 ? 0.430008 0.469055 0.617915 -0.0570514  -0.0581723  0.119015    154 ARG A CA   
2279 C C    . ARG A 154 ? 0.388653 0.443339 0.615673 -0.0516646  -0.0420713  0.116898    154 ARG A C    
2280 O O    . ARG A 154 ? 0.422897 0.453101 0.629127 -0.00909496 -0.0358494  0.111592    154 ARG A O    
2281 C CB   . ARG A 154 ? 0.449921 0.54965  0.698216 -0.0934479  -0.0610272  0.0973974   154 ARG A CB   
2282 C CG   . ARG A 154 ? 0.554942 0.689777 0.849617 -0.0746238  -0.0783292  0.0976842   154 ARG A CG   
2283 C CD   . ARG A 154 ? 0.685288 0.825501 0.915005 -0.0952354  -0.0652409  0.0961268   154 ARG A CD   
2284 N NE   . ARG A 154 ? 0.728344 0.898593 1.09212  -0.111544   -0.111172   0.120616    154 ARG A NE   
2285 C CZ   . ARG A 154 ? 0.785566 0.886512 1.15768  -0.120689   -0.0675072  0.101127    154 ARG A CZ   
2286 N NH1  . ARG A 154 ? 0.861411 0.905727 1.14707  -0.105817   -0.068727   0.100694    154 ARG A NH1  
2287 N NH2  . ARG A 154 ? 0.799511 0.999008 1.2274   -0.0799705  -0.065518   0.118396    154 ARG A NH2  
2288 H H    . ARG A 154 ? 0.500052 0.48591  0.581277 0.00751276  -0.0825139  0.0985739   154 ARG A H    
2289 H HA   . ARG A 154 ? 0.552781 0.521227 0.646055 0.0212404   -0.104058   0.136297    154 ARG A HA   
2290 H HB2  . ARG A 154 ? 0.506484 0.530307 0.625769 0.0216364   -0.100596   0.119107    154 ARG A HB2  
2291 H HB3  . ARG A 154 ? 0.507151 0.519598 0.655045 0.0449673   -0.0903897  0.114493    154 ARG A HB3  
2292 H HG2  . ARG A 154 ? 0.52405  0.583444 0.697554 0.047279    -0.118437   0.147797    154 ARG A HG2  
2293 H HG3  . ARG A 154 ? 0.550984 0.56813  0.718154 0.0583719   -0.11561    0.153615    154 ARG A HG3  
2294 H HD2  . ARG A 154 ? 0.577756 0.588387 0.694404 0.0271544   -0.135966   0.173116    154 ARG A HD2  
2295 H HD3  . ARG A 154 ? 0.549851 0.579008 0.650555 0.00987394  -0.12967    0.154179    154 ARG A HD3  
2296 H HE   . ARG A 154 ? 0.579151 0.652035 0.736634 0.0339931   -0.160665   0.197264    154 ARG A HE   
2297 H HH11 . ARG A 154 ? 0.559878 0.638347 0.641932 -0.0194677  -0.157562   0.167836    154 ARG A HH11 
2298 H HH12 . ARG A 154 ? 0.539401 0.65587  0.650229 -0.0193505  -0.160976   0.164603    154 ARG A HH12 
2299 H HH21 . ARG A 154 ? 0.539689 0.678574 0.753645 0.0443591   -0.157232   0.189332    154 ARG A HH21 
2300 H HH22 . ARG A 154 ? 0.5268   0.68762  0.720369 0.0176525   -0.163172   0.181722    154 ARG A HH22 
2301 N N    . SER A 155 ? 0.380636 0.411769 0.600298 -0.0317692  -0.0234171  0.109325    155 SER A N    
2302 C CA   . SER A 155 ? 0.414299 0.438421 0.598724 -0.0150431  -0.0282275  0.0850863   155 SER A CA   
2303 C C    . SER A 155 ? 0.460878 0.418639 0.591633 -0.0100993  -0.0275675  0.0818766   155 SER A C    
2304 O O    . SER A 155 ? 0.484269 0.41035  0.591116 0.010454    -0.0286609  0.0917201   155 SER A O    
2305 C CB   . SER A 155 ? 0.397232 0.438875 0.557289 -0.0271156  -0.00537446 0.059555    155 SER A CB   
2306 O OG   . SER A 155 ? 0.385168 0.484287 0.57709  -0.00037522 -0.0451683  0.0573626   155 SER A OG   
2307 H H    . SER A 155 ? 0.509237 0.457603 0.618259 0.0340639   -0.0672936  0.0880246   155 SER A H    
2308 H HA   . SER A 155 ? 0.550206 0.459139 0.692154 0.0701087   -0.0616689  0.0904815   155 SER A HA   
2309 H HB2  . SER A 155 ? 0.5298   0.421991 0.652681 0.0587403   -0.0423566  0.0576007   155 SER A HB2  
2310 H HB3  . SER A 155 ? 0.499661 0.433418 0.625742 0.0511075   -0.0472983  0.061538    155 SER A HB3  
2312 N N    . GLY A 156 ? 0.448749 0.401148 0.536785 -0.00772466 -0.0501639  0.0737461   156 GLY A N    
2313 C CA   . GLY A 156 ? 0.488658 0.330303 0.505624 -0.00297891 -0.0644785  0.0708785   156 GLY A CA   
2314 C C    . GLY A 156 ? 0.495182 0.325452 0.469771 -0.0115404  -0.0649312  0.0551652   156 GLY A C    
2315 O O    . GLY A 156 ? 0.472131 0.30064  0.449815 -0.00949069 -0.0770034  0.0629117   156 GLY A O    
2316 H H    . GLY A 156 ? 0.557685 0.446318 0.635    0.0209638   -0.0695718  0.102047    156 GLY A H    
2317 H HA2  . GLY A 156 ? 0.611691 0.44986  0.666524 0.00994422  -0.0754998  0.123061    156 GLY A HA2  
2318 H HA3  . GLY A 156 ? 0.623415 0.434302 0.695021 0.0260668   -0.0689622  0.111651    156 GLY A HA3  
2319 N N    . LEU A 157 ? 0.491803 0.291142 0.462971 -0.0100122  -0.0608618  0.0457575   157 LEU A N    
2320 C CA   . LEU A 157 ? 0.488089 0.317844 0.470321 -0.0134224  -0.0450477  0.0277215   157 LEU A CA   
2321 C C    . LEU A 157 ? 0.462567 0.321972 0.469993 -0.0361685  -0.0404315  0.0321884   157 LEU A C    
2322 O O    . LEU A 157 ? 0.42113  0.330098 0.559654 -0.0679437  -0.0223918  0.0135142   157 LEU A O    
2323 C CB   . LEU A 157 ? 0.486391 0.305024 0.458624 -0.0086623  -0.0304996  0.0100448   157 LEU A CB   
2324 C CG   . LEU A 157 ? 0.532054 0.307373 0.47848  -0.0192844  -0.0280091  -0.0129074  157 LEU A CG   
2325 C CD1  . LEU A 157 ? 0.537292 0.315311 0.465915 0.00794785  -0.021108   -0.029484   157 LEU A CD1  
2326 C CD2  . LEU A 157 ? 0.545607 0.293021 0.496399 -0.0405837  -0.0329061  -0.00302268 157 LEU A CD2  
2327 H H    . LEU A 157 ? 0.544854 0.408679 0.613514 0.0119456   -0.0499039  0.0726497   157 LEU A H    
2328 H HA   . LEU A 157 ? 0.557131 0.39603  0.598882 -0.0202081  -0.0411682  0.0675911   157 LEU A HA   
2329 H HB2  . LEU A 157 ? 0.50124  0.386667 0.56438  -6.31e-05   -0.0345428  0.0440861   157 LEU A HB2  
2330 H HB3  . LEU A 157 ? 0.508211 0.380378 0.560636 -0.0152794  -0.0303027  0.0401832   157 LEU A HB3  
2331 H HG   . LEU A 157 ? 0.548769 0.383914 0.621623 0.0171904   -0.0356322  0.0436682   157 LEU A HG   
2332 H HD11 . LEU A 157 ? 0.499398 0.374948 0.57675  0.0166488   -0.02494    0.0202828   157 LEU A HD11 
2333 H HD12 . LEU A 157 ? 0.532268 0.36942  0.603552 0.0174388   -0.0225368  0.0128212   157 LEU A HD12 
2334 H HD13 . LEU A 157 ? 0.505657 0.367087 0.569354 -0.00016661 -0.0229918  0.0147117   157 LEU A HD13 
2335 H HD21 . LEU A 157 ? 0.585512 0.379867 0.635561 -0.00895454 -0.0376952  0.050584    157 LEU A HD21 
2336 H HD22 . LEU A 157 ? 0.558084 0.372367 0.606542 -0.0184609  -0.0307758  0.033895    157 LEU A HD22 
2337 H HD23 . LEU A 157 ? 0.585341 0.370398 0.639918 0.00042941  -0.031213   0.0304096   157 LEU A HD23 
2338 N N    . ARG A 158 ? 0.436048 0.312525 0.464793 -0.0713917  -0.0151373  0.0615163   158 ARG A N    
2339 C CA   . ARG A 158 ? 0.409313 0.34835  0.456843 -0.0827231  -0.004655   0.0445519   158 ARG A CA   
2340 C C    . ARG A 158 ? 0.358238 0.339356 0.473175 -0.0793571  -0.00361392 0.0307106   158 ARG A C    
2341 O O    . ARG A 158 ? 0.36782  0.331196 0.486142 -0.0768087  0.00463421  0.0331046   158 ARG A O    
2342 C CB   . ARG A 158 ? 0.43004  0.362005 0.463835 -0.116943   -4.648e-05  0.062085    158 ARG A CB   
2343 C CG   . ARG A 158 ? 0.50503  0.376105 0.519819 -0.0824556  0.0257972   0.0892166   158 ARG A CG   
2344 C CD   . ARG A 158 ? 0.514156 0.40166  0.524795 -0.103407   0.0435278   0.100635    158 ARG A CD   
2345 N NE   . ARG A 158 ? 0.502338 0.453973 0.55985  -0.117309   0.075324    0.0609285   158 ARG A NE   
2346 C CZ   . ARG A 158 ? 0.516339 0.513764 0.555903 -0.097064   0.0862309   0.0520853   158 ARG A CZ   
2347 N NH1  . ARG A 158 ? 0.566549 0.489285 0.566772 -0.0849425  0.1303      0.0714233   158 ARG A NH1  
2348 N NH2  . ARG A 158 ? 0.405531 0.541285 0.561607 -0.0965409  0.141023    0.0485274   158 ARG A NH2  
2349 H H    . ARG A 158 ? 0.520854 0.400772 0.550044 -0.0402222  -0.030333   0.0608043   158 ARG A H    
2350 H HA   . ARG A 158 ? 0.505469 0.421213 0.515056 -0.0401589  -0.0321989  0.0676787   158 ARG A HA   
2351 H HB2  . ARG A 158 ? 0.512035 0.423511 0.522267 -0.0607658  -0.0173989  0.065603    158 ARG A HB2  
2352 H HB3  . ARG A 158 ? 0.510708 0.435748 0.504123 -0.0596853  -0.0161996  0.0685106   158 ARG A HB3  
2353 H HG2  . ARG A 158 ? 0.555128 0.445928 0.542477 -0.0584464  -0.0352867  0.093505    158 ARG A HG2  
2354 H HG3  . ARG A 158 ? 0.559905 0.43513  0.558801 -0.0634229  -0.0313451  0.0897142   158 ARG A HG3  
2355 H HD2  . ARG A 158 ? 0.561581 0.472937 0.523441 -0.0791107  -0.0175775  0.095842    158 ARG A HD2  
2356 H HD3  . ARG A 158 ? 0.588809 0.473836 0.554362 -0.0846406  -0.0254694  0.109964    158 ARG A HD3  
2357 H HE   . ARG A 158 ? 0.546327 0.453264 0.542555 -0.0849342  -0.0113687  0.0845871   158 ARG A HE   
2358 H HH11 . ARG A 158 ? 0.583204 0.510531 0.525403 -0.100263   0.00155088  0.105202    158 ARG A HH11 
2359 H HH12 . ARG A 158 ? 0.580433 0.527666 0.530581 -0.110005   0.0170946   0.104519    158 ARG A HH12 
2360 H HH21 . ARG A 158 ? 0.548286 0.481404 0.552961 -0.106675   0.0037822   0.0884423   158 ARG A HH21 
2361 H HH22 . ARG A 158 ? 0.554531 0.511071 0.546654 -0.113025   0.0172892   0.0952956   158 ARG A HH22 
2362 N N    . TYR A 159 ? 0.328982 0.371855 0.474688 -0.0826889  -0.0203643  0.027201    159 TYR A N    
2363 C CA   . TYR A 159 ? 0.320332 0.341071 0.423009 -0.0815718  -0.00115953 0.0333104   159 TYR A CA   
2364 C C    . TYR A 159 ? 0.310217 0.326112 0.416572 -0.0828853  -0.0073392  0.0299435   159 TYR A C    
2365 O O    . TYR A 159 ? 0.326618 0.288454 0.436342 -0.0455205  0.0126254   0.0292121   159 TYR A O    
2366 C CB   . TYR A 159 ? 0.335274 0.38107  0.446773 -0.0822611  -0.0101278  0.0036635   159 TYR A CB   
2367 C CG   . TYR A 159 ? 0.356521 0.390021 0.437383 -0.10159    -0.0207826  0.0162648   159 TYR A CG   
2368 C CD1  . TYR A 159 ? 0.360583 0.370974 0.485753 -0.0671896  -0.03981    0.0204672   159 TYR A CD1  
2369 C CD2  . TYR A 159 ? 0.387886 0.397517 0.412365 -0.0997024  -0.026119   0.021334    159 TYR A CD2  
2370 C CE1  . TYR A 159 ? 0.421984 0.367047 0.492644 -0.078511   -0.0547798  0.030196    159 TYR A CE1  
2371 C CE2  . TYR A 159 ? 0.417895 0.371396 0.485256 -0.146196   -0.0614403  0.0396177   159 TYR A CE2  
2372 C CZ   . TYR A 159 ? 0.418477 0.356215 0.505818 -0.104562   -0.0606148  0.0600562   159 TYR A CZ   
2373 O OH   . TYR A 159 ? 0.427651 0.304754 0.530211 -0.119417   -0.0726933  0.105847    159 TYR A OH   
2374 H H    . TYR A 159 ? 0.47382  0.418261 0.475435 -0.0417304  -0.0194713  0.0498028   159 TYR A H    
2375 H HA   . TYR A 159 ? 0.435086 0.393916 0.46208  -0.0351163  -0.00754545 0.0270785   159 TYR A HA   
2376 H HB2  . TYR A 159 ? 0.41682  0.385234 0.44739  -0.0238464  -0.0122351  0.0183524   159 TYR A HB2  
2377 H HB3  . TYR A 159 ? 0.431632 0.38726  0.469137 -0.0214074  -0.0196564  0.0268185   159 TYR A HB3  
2378 H HD1  . TYR A 159 ? 0.46265  0.4139   0.484116 -0.0255392  -0.0344652  0.0492208   159 TYR A HD1  
2379 H HD2  . TYR A 159 ? 0.424365 0.398942 0.430594 -0.0288795  -0.0148181  0.0186452   159 TYR A HD2  
2380 H HE1  . TYR A 159 ? 0.47905  0.443989 0.483945 -0.0313499  -0.0499489  0.0620479   159 TYR A HE1  
2381 H HE2  . TYR A 159 ? 0.44792  0.423582 0.429912 -0.0388099  -0.0281383  0.0261248   159 TYR A HE2  
2383 N N    . ARG A 160 ? 0.339573 0.329426 0.377978 -0.0838391  -0.00603695 0.0144724   160 ARG A N    
2384 C CA   . ARG A 160 ? 0.362387 0.340147 0.366713 -0.0884748  -0.00011137 0.0226521   160 ARG A CA   
2385 C C    . ARG A 160 ? 0.354144 0.339016 0.356061 -0.0839247  0.00780316  0.0283394   160 ARG A C    
2386 O O    . ARG A 160 ? 0.382836 0.319447 0.360563 -0.0957063  -0.0111451  0.0142943   160 ARG A O    
2387 C CB   . ARG A 160 ? 0.373483 0.35729  0.389065 -0.0880921  0.00399779  0.0432823   160 ARG A CB   
2388 C CG   . ARG A 160 ? 0.346712 0.33397  0.409187 -0.113607   0.0255676   0.0650378   160 ARG A CG   
2389 C CD   . ARG A 160 ? 0.363196 0.395417 0.434627 -0.0634595  0.0546551   0.0427154   160 ARG A CD   
2390 N NE   . ARG A 160 ? 0.285204 0.390966 0.473796 -0.0822589  0.0639224   0.0413428   160 ARG A NE   
2391 C CZ   . ARG A 160 ? 0.294146 0.476734 0.501435 -0.0336059  0.0533984   0.0328251   160 ARG A CZ   
2392 N NH1  . ARG A 160 ? 0.302403 0.513413 0.513079 -0.0130629  0.0618173   0.0119428   160 ARG A NH1  
2393 N NH2  . ARG A 160 ? 0.231626 0.534101 0.578633 -0.0366257  0.0303761   0.0293568   160 ARG A NH2  
2394 H H    . ARG A 160 ? 0.418619 0.39653  0.436377 -0.0322513  0.00439155  0.016211    160 ARG A H    
2395 H HA   . ARG A 160 ? 0.476983 0.448516 0.450301 -0.0390451  0.0110134   0.0186406   160 ARG A HA   
2396 H HB2  . ARG A 160 ? 0.45901  0.44386  0.43134  -0.0396995  0.0332603   0.0185736   160 ARG A HB2  
2397 H HB3  . ARG A 160 ? 0.459321 0.440579 0.441267 -0.0465028  0.0225466   0.0287646   160 ARG A HB3  
2398 H HG2  . ARG A 160 ? 0.427687 0.42577  0.448569 -0.0409924  0.023555    0.02209     160 ARG A HG2  
2399 H HG3  . ARG A 160 ? 0.423071 0.427693 0.438752 -0.0319988  0.032788    0.0140133   160 ARG A HG3  
2400 H HD2  . ARG A 160 ? 0.452402 0.468643 0.452521 -0.038868   0.0522788   0.0228684   160 ARG A HD2  
2401 H HD3  . ARG A 160 ? 0.458226 0.467012 0.459767 -0.0507652  0.0415075   0.0331092   160 ARG A HD3  
2402 H HE   . ARG A 160 ? 0.42066  0.451739 0.466258 -0.0430385  0.0373517   0.0249627   160 ARG A HE   
2403 H HH11 . ARG A 160 ? 0.466883 0.514722 0.485786 -0.0553182  0.0656709   0.0413264   160 ARG A HH11 
2404 H HH12 . ARG A 160 ? 0.45535  0.535406 0.502217 -0.0493078  0.0770904   0.0414906   160 ARG A HH12 
2405 H HH21 . ARG A 160 ? 0.412044 0.482529 0.493003 -0.0485849  0.0434997   0.0317815   160 ARG A HH21 
2406 H HH22 . ARG A 160 ? 0.425619 0.516959 0.511933 -0.0561816  0.0558212   0.0421138   160 ARG A HH22 
2407 N N    . PHE A 161 ? 0.361149 0.342479 0.345493 -0.0984315  0.0177315   0.0231309   161 PHE A N    
2408 C CA   . PHE A 161 ? 0.400997 0.348597 0.368189 -0.0829777  0.0155682   0.014218    161 PHE A CA   
2409 C C    . PHE A 161 ? 0.41851  0.342478 0.358482 -0.0566329  0.0514917   0.0231218   161 PHE A C    
2410 O O    . PHE A 161 ? 0.533113 0.366475 0.334021 -0.00010106 0.0684142   0.00747301  161 PHE A O    
2411 C CB   . PHE A 161 ? 0.423187 0.347337 0.385745 -0.0869536  0.0140167   -0.00356818 161 PHE A CB   
2412 C CG   . PHE A 161 ? 0.365375 0.397929 0.405424 -0.100446   0.010685    0.00368194  161 PHE A CG   
2413 C CD1  . PHE A 161 ? 0.345409 0.389107 0.447261 -0.0823328  0.00455292  -0.0180636  161 PHE A CD1  
2414 C CD2  . PHE A 161 ? 0.413743 0.461943 0.444552 -0.064834   0.0163016   -0.0119271  161 PHE A CD2  
2415 C CE1  . PHE A 161 ? 0.32901  0.421521 0.450111 -0.0469717  0.0248025   0.0252607   161 PHE A CE1  
2416 C CE2  . PHE A 161 ? 0.415503 0.421044 0.440164 -0.0316733  -0.0291556  0.0113787   161 PHE A CE2  
2417 C CZ   . PHE A 161 ? 0.320047 0.434151 0.456702 -0.0261816  0.0388038   0.0248533   161 PHE A CZ   
2418 H H    . PHE A 161 ? 0.479735 0.450181 0.439674 -0.0314941  0.0270648   0.00357805  161 PHE A H    
2419 H HA   . PHE A 161 ? 0.415553 0.393361 0.407845 -0.0189934  0.02234     -0.00642252 161 PHE A HA   
2420 H HB2  . PHE A 161 ? 0.468798 0.418233 0.403075 -0.0294598  0.027475    -0.0101421  161 PHE A HB2  
2421 H HB3  . PHE A 161 ? 0.450574 0.401375 0.401589 -0.0227362  0.0258408   -0.0150224  161 PHE A HB3  
2422 H HD1  . PHE A 161 ? 0.409462 0.382957 0.401609 -0.0231956  0.00610675  -0.00741367 161 PHE A HD1  
2423 H HD2  . PHE A 161 ? 0.482181 0.427781 0.400465 -0.0449996  0.00472947  -0.00180393 161 PHE A HD2  
2424 H HE1  . PHE A 161 ? 0.403973 0.387389 0.409127 -0.0269059  -0.0108855  -0.00030452 161 PHE A HE1  
2425 H HE2  . PHE A 161 ? 0.472602 0.433019 0.408618 -0.0515375  -0.0205443  0.010323    161 PHE A HE2  
2426 H HZ   . PHE A 161 ? 0.431732 0.413734 0.416831 -0.0391078  -0.0254155  0.0110159   161 PHE A HZ   
2427 N N    . HIS A 162 ? 0.378333 0.33218  0.342447 -0.0678645  0.0408323   0.00563028  162 HIS A N    
2428 C CA   . HIS A 162 ? 0.419514 0.339302 0.385533 -0.0277051  0.0291633   0.00350354  162 HIS A CA   
2429 C C    . HIS A 162 ? 0.43702  0.316276 0.385682 -0.0202906  0.0365895   0.00020541  162 HIS A C    
2430 O O    . HIS A 162 ? 0.415928 0.226608 0.398226 -0.0184181  0.0079941   0.0165601   162 HIS A O    
2431 C CB   . HIS A 162 ? 0.356992 0.377299 0.438497 -0.0299488  0.0206811   -0.0105419  162 HIS A CB   
2432 C CG   . HIS A 162 ? 0.328247 0.382159 0.430923 -0.0182981  0.031068    0.0325437   162 HIS A CG   
2433 N ND1  . HIS A 162 ? 0.3691   0.410353 0.481616 -0.0200445  0.0739167   0.0220546   162 HIS A ND1  
2434 C CD2  . HIS A 162 ? 0.305636 0.385513 0.461625 -0.0333608  0.0368979   0.0488108   162 HIS A CD2  
2435 C CE1  . HIS A 162 ? 0.304897 0.405477 0.489589 -0.0511617  0.0494544   0.0352631   162 HIS A CE1  
2436 N NE2  . HIS A 162 ? 0.300495 0.36449  0.459965 -0.0445707  0.0324177   0.0317117   162 HIS A NE2  
2437 H H    . HIS A 162 ? 0.408758 0.39565  0.415136 -0.00674627 0.034995    -0.0105683  162 HIS A H    
2438 H HA   . HIS A 162 ? 0.443906 0.430465 0.435951 0.0058387   0.0637421   -0.0126414  162 HIS A HA   
2439 H HB2  . HIS A 162 ? 0.397701 0.412758 0.437624 0.00873316  0.046454    -0.00674758 162 HIS A HB2  
2440 H HB3  . HIS A 162 ? 0.414475 0.436308 0.453797 0.0163394   0.0625123   -0.0051372  162 HIS A HB3  
2442 H HD2  . HIS A 162 ? 0.385932 0.406803 0.432621 -0.0117775  0.0318666   -0.0004121  162 HIS A HD2  
2443 H HE1  . HIS A 162 ? 0.406856 0.4758   0.475782 -0.0178099  0.0594166   0.0175177   162 HIS A HE1  
2445 N N    . SER A 163 ? 0.477212 0.328671 0.376769 0.0176398   0.0609315   0.0154938   163 SER A N    
2446 C CA   . SER A 163 ? 0.51004  0.359083 0.441039 0.00968714  0.0722616   0.00918155  163 SER A CA   
2447 C C    . SER A 163 ? 0.543993 0.339263 0.49533  0.0546417   0.0898982   0.0400536   163 SER A C    
2448 O O    . SER A 163 ? 0.612862 0.381063 0.549088 0.126997    0.130439    0.0341869   163 SER A O    
2449 C CB   . SER A 163 ? 0.547541 0.439222 0.452689 0.0123893   0.0335141   0.012385    163 SER A CB   
2450 O OG   . SER A 163 ? 0.53977  0.384817 0.437958 0.00220281  0.0133409   0.0245234   163 SER A OG   
2451 H H    . SER A 163 ? 0.475326 0.430762 0.445068 0.0202648   0.0754863   -0.023347   163 SER A H    
2452 H HA   . SER A 163 ? 0.466246 0.398111 0.437486 0.0210184   0.0583322   -0.0262618  163 SER A HA   
2453 H HB2  . SER A 163 ? 0.535893 0.426907 0.452597 0.0252223   0.0839079   -0.0399998  163 SER A HB2  
2454 H HB3  . SER A 163 ? 0.529141 0.406706 0.447758 0.021433    0.0711287   -0.0399577  163 SER A HB3  
2456 N N    . TYR A 164 ? 0.538477 0.282246 0.518142 0.0425103   0.0959037   0.0410253   164 TYR A N    
2457 C CA   . TYR A 164 ? 0.516424 0.357984 0.595135 0.0671242   0.109721    0.0565002   164 TYR A CA   
2458 C C    . TYR A 164 ? 0.52755  0.327098 0.577043 0.0662309   0.0926073   0.0288142   164 TYR A C    
2459 O O    . TYR A 164 ? 0.515968 0.288003 0.50129  0.0651004   0.10165     0.0704646   164 TYR A O    
2460 C CB   . TYR A 164 ? 0.508671 0.322637 0.721649 0.0693209   0.0957011   0.0533931   164 TYR A CB   
2461 C CG   . TYR A 164 ? 0.56368  0.356521 0.850245 0.0238372   0.1104      0.0912842   164 TYR A CG   
2462 C CD1  . TYR A 164 ? 0.62689  0.406595 0.963104 0.0198048   0.160176    0.121253    164 TYR A CD1  
2463 C CD2  . TYR A 164 ? 0.551965 0.364411 0.906381 0.0167215   0.0720947   0.146028    164 TYR A CD2  
2464 C CE1  . TYR A 164 ? 0.703109 0.435429 1.05608  -0.0376736  0.174393    0.133623    164 TYR A CE1  
2465 C CE2  . TYR A 164 ? 0.595384 0.382806 0.995868 -0.0365663  0.0897902   0.127304    164 TYR A CE2  
2466 C CZ   . TYR A 164 ? 0.64315  0.395454 1.05125  -0.0488156  0.145396    0.179062    164 TYR A CZ   
2467 O OH   . TYR A 164 ? 0.744414 0.382131 1.02332  -0.0558932  0.0959889   0.136415    164 TYR A OH   
2468 H H    . TYR A 164 ? 0.466717 0.404879 0.463236 0.0425523   0.0646819   -0.020168   164 TYR A H    
2469 H HA   . TYR A 164 ? 0.501014 0.449778 0.512124 0.0745432   0.0968888   -0.0181646  164 TYR A HA   
2470 H HB2  . TYR A 164 ? 0.443931 0.431867 0.495675 0.0633221   0.0656397   -0.00297322 164 TYR A HB2  
2471 H HB3  . TYR A 164 ? 0.462327 0.459616 0.527524 0.0824914   0.0822889   0.00048787  164 TYR A HB3  
2472 H HD1  . TYR A 164 ? 0.453393 0.498115 0.54107  0.0803122   0.0988145   0.00440534  164 TYR A HD1  
2473 H HD2  . TYR A 164 ? 0.410931 0.422199 0.466054 0.0390412   0.0545762   -0.00464534 164 TYR A HD2  
2474 H HE1  . TYR A 164 ? 0.42482  0.516133 0.534911 0.0580642   0.0942188   0.0126546   164 TYR A HE1  
2475 H HE2  . TYR A 164 ? 0.389861 0.434168 0.4637   0.0239655   0.0507845   0.00057177  164 TYR A HE2  
2477 N N    . ARG A 165 ? 0.535683 0.38312  0.544383 0.101596    0.109859    0.00416638  165 ARG A N    
2478 C CA   . ARG A 165 ? 0.565001 0.371571 0.588339 0.0843429   0.071211    -0.0135993  165 ARG A CA   
2479 C C    . ARG A 165 ? 0.549622 0.394376 0.623777 0.0854905   0.0763149   -0.0194579  165 ARG A C    
2480 O O    . ARG A 165 ? 0.498491 0.389937 0.608447 0.120189    0.106188    -0.0147552  165 ARG A O    
2481 C CB   . ARG A 165 ? 0.648887 0.442078 0.618685 0.0566774   0.0385916   -0.0304611  165 ARG A CB   
2482 C CG   . ARG A 165 ? 0.673892 0.527763 0.631067 0.0500179   0.00479655  -0.0528361  165 ARG A CG   
2483 C CD   . ARG A 165 ? 0.789681 0.651944 0.692085 0.0112216   -0.00438015 -0.0916203  165 ARG A CD   
2484 N NE   . ARG A 165 ? 0.777333 0.72607  0.739534 -0.0461892  0.00117473  -0.0556836  165 ARG A NE   
2485 C CZ   . ARG A 165 ? 0.815288 0.767398 0.786724 -0.0728522  0.00760277  -0.0233376  165 ARG A CZ   
2486 N NH1  . ARG A 165 ? 0.910104 0.731173 0.85509  -0.0511142  -0.0444456  -0.0696091  165 ARG A NH1  
2487 N NH2  . ARG A 165 ? 0.858289 0.816605 0.860749 -0.0587363  0.00103641  0.0301532   165 ARG A NH2  
2488 H H    . ARG A 165 ? 0.534384 0.46297  0.556176 0.104951    0.107197    -0.013342   165 ARG A H    
2489 H HA   . ARG A 165 ? 0.550881 0.427597 0.550825 0.0987338   0.0860293   -0.0104718  165 ARG A HA   
2490 H HB2  . ARG A 165 ? 0.623936 0.455979 0.586136 0.120871    0.124944    -0.0305602  165 ARG A HB2  
2491 H HB3  . ARG A 165 ? 0.63582  0.439235 0.593091 0.12116     0.113269    -0.0254703  165 ARG A HB3  
2492 H HG2  . ARG A 165 ? 0.603118 0.406985 0.534516 0.0781421   0.0898533   -0.0327183  165 ARG A HG2  
2493 H HG3  . ARG A 165 ? 0.590973 0.420958 0.526886 0.0783571   0.0992272   -0.0367241  165 ARG A HG3  
2494 H HD2  . ARG A 165 ? 0.678888 0.437233 0.56162  0.0932062   0.125143    -0.0553173  165 ARG A HD2  
2495 H HD3  . ARG A 165 ? 0.694716 0.422831 0.575595 0.0962199   0.116719    -0.0507387  165 ARG A HD3  
2496 H HE   . ARG A 165 ? 0.657745 0.410332 0.514295 0.0514203   0.0974655   -0.0588699  165 ARG A HE   
2497 H HH11 . ARG A 165 ? 0.677269 0.392778 0.553473 0.0691877   0.0882362   -0.0425682  165 ARG A HH11 
2498 H HH12 . ARG A 165 ? 0.728416 0.38737  0.558111 0.0533106   0.0871802   -0.05448    165 ARG A HH12 
2499 H HH21 . ARG A 165 ? 0.679218 0.393698 0.496786 0.0163972   0.0754263   -0.0644828  165 ARG A HH21 
2500 H HH22 . ARG A 165 ? 0.6975   0.383554 0.510291 0.013456    0.0691163   -0.0612646  165 ARG A HH22 
2501 N N    . ARG A 166 ? 0.606426 0.408346 0.641657 0.0844127   0.0502029   -0.00146527 166 ARG A N    
2502 C CA   . ARG A 166 ? 0.649801 0.498239 0.714518 0.0821667   0.0344354   0.00506096  166 ARG A CA   
2503 C C    . ARG A 166 ? 0.706383 0.480518 0.739359 0.0749675   0.012993    -0.0450581  166 ARG A C    
2504 O O    . ARG A 166 ? 0.687455 0.439645 0.72263  0.0449368   -0.021455   -0.0927571  166 ARG A O    
2505 C CB   . ARG A 166 ? 0.628413 0.481418 0.714839 0.0922742   0.0456494   0.00883993  166 ARG A CB   
2506 C CG   . ARG A 166 ? 0.616414 0.483336 0.669586 0.061704    0.035553    0.0172111   166 ARG A CG   
2507 C CD   . ARG A 166 ? 0.577765 0.591675 0.689954 0.0641666   0.0223801   0.00789115  166 ARG A CD   
2508 N NE   . ARG A 166 ? 0.506464 0.573929 0.691039 0.0942741   0.0354342   -0.0185739  166 ARG A NE   
2509 C CZ   . ARG A 166 ? 0.494037 0.590183 0.684183 0.101272    0.0359683   0.0112001   166 ARG A CZ   
2510 N NH1  . ARG A 166 ? 0.452857 0.607307 0.745104 0.141576    0.0472061   -0.00644249 166 ARG A NH1  
2511 N NH2  . ARG A 166 ? 0.526573 0.539877 0.653231 0.0921739   0.0431015   0.0268445   166 ARG A NH2  
2512 H H    . ARG A 166 ? 0.586562 0.448404 0.606579 0.132178    0.0920091   0.00450104  166 ARG A H    
2513 H HA   . ARG A 166 ? 0.619416 0.508418 0.680957 0.182063    0.125867    0.0115522   166 ARG A HA   
2514 H HB2  . ARG A 166 ? 0.585283 0.531255 0.703898 0.19109     0.101341    0.0432287   166 ARG A HB2  
2515 H HB3  . ARG A 166 ? 0.547271 0.517746 0.66053  0.165479    0.0969335   0.0335726   166 ARG A HB3  
2516 H HG2  . ARG A 166 ? 0.537151 0.472166 0.615238 0.136135    0.0705023   0.0318376   166 ARG A HG2  
2517 H HG3  . ARG A 166 ? 0.577546 0.482532 0.65513  0.157986    0.0741982   0.0412291   166 ARG A HG3  
2518 H HD2  . ARG A 166 ? 0.539778 0.53748  0.687894 0.173157    0.065697    0.0666839   166 ARG A HD2  
2519 H HD3  . ARG A 166 ? 0.50231  0.519334 0.64236  0.146042    0.0595265   0.0555345   166 ARG A HD3  
2520 H HE   . ARG A 166 ? 0.532253 0.484334 0.627517 0.13519     0.0426144   0.0587832   166 ARG A HE   
2521 H HH11 . ARG A 166 ? 0.494463 0.567177 0.680429 0.15505     0.033932    0.0889914   166 ARG A HH11 
2522 H HH12 . ARG A 166 ? 0.478438 0.566115 0.658297 0.134787    0.0117466   0.0956532   166 ARG A HH12 
2523 H HH21 . ARG A 166 ? 0.507518 0.488417 0.603117 0.112423    0.0148521   0.0725949   166 ARG A HH21 
2524 H HH22 . ARG A 166 ? 0.492767 0.522038 0.618059 0.114804    0.00256947  0.0876811   166 ARG A HH22 
2525 N N    . ASP A 167 ? 0.714752 0.615139 0.7863   0.13281     0.0428732   -0.0418181  167 ASP A N    
2526 C CA   . ASP A 167 ? 0.875276 0.664781 0.829627 0.152162    0.061151    -0.0418777  167 ASP A CA   
2527 C C    . ASP A 167 ? 0.911296 0.727533 0.843246 0.16882     0.0577464   -0.00632728 167 ASP A C    
2528 O O    . ASP A 167 ? 0.881593 0.828581 0.819915 0.158768    0.0836948   -0.0202881  167 ASP A O    
2529 C CB   . ASP A 167 ? 0.937262 0.772963 0.895615 0.213641    0.0868383   -0.0106494  167 ASP A CB   
2530 C CG   . ASP A 167 ? 0.97163  0.813541 0.896034 0.220994    0.12255     -0.00018787 167 ASP A CG   
2531 O OD1  . ASP A 167 ? 1.04363  0.833109 0.852256 0.174415    0.087383    0.0411216   167 ASP A OD1  
2532 O OD2  . ASP A 167 ? 1.00074  0.831564 0.9067   0.245143    0.18483     -0.0281693  167 ASP A OD2  
2533 H H    . ASP A 167 ? 0.685411 0.527942 0.754184 0.223689    0.134675    0.0248683   167 ASP A H    
2534 H HA   . ASP A 167 ? 0.762458 0.478136 0.749213 0.207872    0.129371    0.00868896  167 ASP A HA   
2535 H HB2  . ASP A 167 ? 0.774066 0.550519 0.842422 0.272338    0.150059    0.0359719   167 ASP A HB2  
2536 H HB3  . ASP A 167 ? 0.830667 0.521168 0.844155 0.265718    0.152426    0.0223164   167 ASP A HB3  
2537 P PA   . NDP B .   ? 0.484588 0.492391 0.351229 -0.0381196  0.0018346   -0.0381766  201 NDP A PA   
2538 O O1A  . NDP B .   ? 0.483355 0.53922  0.286386 -0.0354873  -0.0313972  -0.0301194  201 NDP A O1A  
2539 O O2A  . NDP B .   ? 0.477453 0.48135  0.419395 -0.0627817  -0.00288452 -0.0199815  201 NDP A O2A  
2540 O O5B  . NDP B .   ? 0.476048 0.509554 0.38506  -0.0603676  0.0333915   -0.0583539  201 NDP A O5B  
2541 C C5B  . NDP B .   ? 0.477331 0.569717 0.407718 -0.100794   0.0146769   -0.0632629  201 NDP A C5B  
2542 C C4B  . NDP B .   ? 0.53543  0.605871 0.388991 -0.0904687  0.0188931   -0.0511938  201 NDP A C4B  
2543 O O4B  . NDP B .   ? 0.531592 0.600631 0.397709 -0.0901553  0.00606868  -0.0672481  201 NDP A O4B  
2544 C C3B  . NDP B .   ? 0.530502 0.649205 0.393988 -0.126118   -0.018971   -0.0805736  201 NDP A C3B  
2545 O O3B  . NDP B .   ? 0.522161 0.702158 0.305079 -0.116873   -0.0210781  -0.0951749  201 NDP A O3B  
2546 C C2B  . NDP B .   ? 0.56592  0.702939 0.370188 -0.104622   0.0162447   -0.0441397  201 NDP A C2B  
2547 O O2B  . NDP B .   ? 0.55661  0.724983 0.404523 -0.0908893  0.0535206   -0.0714275  201 NDP A O2B  
2548 C C1B  . NDP B .   ? 0.53316  0.637766 0.396718 -0.0971874  0.00875634  -0.049632   201 NDP A C1B  
2549 N N9A  . NDP B .   ? 0.53836  0.660824 0.369141 -0.08823    -0.00658649 -0.038297   201 NDP A N9A  
2550 C C8A  . NDP B .   ? 0.527497 0.631423 0.392928 -0.0869149  -0.0278868  -0.0302183  201 NDP A C8A  
2551 N N7A  . NDP B .   ? 0.473778 0.700178 0.397928 -0.0968916  -0.0474208  -0.00257278 201 NDP A N7A  
2552 C C5A  . NDP B .   ? 0.548194 0.682543 0.340582 -0.0960854  -0.0526998  0.0130466   201 NDP A C5A  
2553 C C6A  . NDP B .   ? 0.568568 0.716353 0.358907 -0.104826   -0.0578731  0.0481457   201 NDP A C6A  
2554 N N6A  . NDP B .   ? 0.582608 0.768189 0.424157 -0.102668   -0.0141779  0.0753258   201 NDP A N6A  
2555 N N1A  . NDP B .   ? 0.589823 0.714505 0.319163 -0.104286   -0.0147363  0.0857118   201 NDP A N1A  
2556 C C2A  . NDP B .   ? 0.598758 0.705241 0.271718 -0.10039    -0.0215503  0.0520873   201 NDP A C2A  
2557 N N3A  . NDP B .   ? 0.586204 0.692725 0.285266 -0.0927671  -0.0122958  -0.00100516 201 NDP A N3A  
2558 C C4A  . NDP B .   ? 0.548338 0.674878 0.301899 -0.0941305  -0.0163413  -0.0116065  201 NDP A C4A  
2559 O O3   . NDP B .   ? 0.493237 0.522051 0.389268 -0.0735113  0.043468    -0.0518299  201 NDP A O3   
2560 P PN   . NDP B .   ? 0.475645 0.496228 0.447998 -0.0886108  0.0209308   -0.0650074  201 NDP A PN   
2561 O O1N  . NDP B .   ? 0.518088 0.496838 0.453421 -0.0745149  -0.0209345  -0.0908533  201 NDP A O1N  
2562 O O2N  . NDP B .   ? 0.520575 0.524315 0.438848 -0.105962   0.0207266   -0.0607135  201 NDP A O2N  
2563 O O5D  . NDP B .   ? 0.43939  0.45189  0.479514 -0.0962362  0.0167357   -0.0391722  201 NDP A O5D  
2564 C C5D  . NDP B .   ? 0.461773 0.438845 0.49652  -0.0761084  0.0235449   -0.0530756  201 NDP A C5D  
2565 C C4D  . NDP B .   ? 0.44062  0.418523 0.453747 -0.0882314  0.00328755  -0.0790632  201 NDP A C4D  
2566 O O4D  . NDP B .   ? 0.400112 0.429398 0.457845 -0.0869388  0.00513708  -0.0584961  201 NDP A O4D  
2567 C C3D  . NDP B .   ? 0.49178  0.41691  0.502383 -0.0595439  0.0225826   -0.0991298  201 NDP A C3D  
2568 O O3D  . NDP B .   ? 0.525538 0.419771 0.544873 -0.0837184  0.0315791   -0.152301   201 NDP A O3D  
2569 C C2D  . NDP B .   ? 0.44653  0.399669 0.502395 -0.0484888  0.0146273   -0.0812342  201 NDP A C2D  
2570 O O2D  . NDP B .   ? 0.474651 0.43946  0.556305 -0.0301285  0.0210431   -0.0801212  201 NDP A O2D  
2571 C C1D  . NDP B .   ? 0.430784 0.415168 0.480482 -0.0730854  -0.00431998 -0.0760121  201 NDP A C1D  
2572 N N1N  . NDP B .   ? 0.439586 0.405095 0.462005 -0.0727138  0.00364441  -0.0588879  201 NDP A N1N  
2573 C C2N  . NDP B .   ? 0.372295 0.371294 0.470327 -0.0613485  0.0349166   -0.0556942  201 NDP A C2N  
2574 C C3N  . NDP B .   ? 0.348107 0.360166 0.441893 -0.019894   0.0499535   -0.0187595  201 NDP A C3N  
2575 C C7N  . NDP B .   ? 0.381733 0.333613 0.451306 -0.0150544  0.0507563   -0.0138454  201 NDP A C7N  
2576 O O7N  . NDP B .   ? 0.3614   0.335833 0.408914 -0.0154055  0.0497522   -0.00888336 201 NDP A O7N  
2577 N N7N  . NDP B .   ? 0.383107 0.282655 0.473649 -0.027182   0.0296449   -0.0270216  201 NDP A N7N  
2578 C C4N  . NDP B .   ? 0.359062 0.355027 0.438233 -0.0333087  0.0411181   -0.0344703  201 NDP A C4N  
2579 C C5N  . NDP B .   ? 0.394053 0.385013 0.423456 -0.0348154  0.057236    -0.0489795  201 NDP A C5N  
2580 C C6N  . NDP B .   ? 0.415124 0.410004 0.462589 -0.0662264  0.00667993  -0.0458802  201 NDP A C6N  
2581 P P2B  . NDP B .   ? 0.580911 0.791648 0.431229 -0.111274   0.0809181   -0.0578967  201 NDP A P2B  
2582 O O1X  . NDP B .   ? 0.585012 0.83141  0.369352 -0.119182   0.0659512   -0.138029   201 NDP A O1X  
2583 O O2X  . NDP B .   ? 0.562196 0.85599  0.413008 -0.095517   0.119964    -0.0768405  201 NDP A O2X  
2584 O O3X  . NDP B .   ? 0.527198 0.858219 0.361027 -0.10703    0.0694615   -0.0647716  201 NDP A O3X  
2585 H H51A . NDP B .   ? 0.556082 0.59478  0.402117 -0.056581   0.0173917   -0.0534471  201 NDP A H51A 
2586 H H52A . NDP B .   ? 0.533344 0.581002 0.397732 -0.0572624  0.00325337  -0.0325508  201 NDP A H52A 
2587 H H4B  . NDP B .   ? 0.562864 0.62145  0.402087 -0.0577809  0.0366271   -0.0404862  201 NDP A H4B  
2588 H H3B  . NDP B .   ? 0.605583 0.655955 0.397305 -0.0778936  0.00376459  -0.0318201  201 NDP A H3B  
2590 H H2B  . NDP B .   ? 0.637574 0.700056 0.396816 -0.0878567  0.0145732   -0.0140888  201 NDP A H2B  
2591 H H1B  . NDP B .   ? 0.578502 0.646327 0.399733 -0.07432    0.0214684   0.00228807  201 NDP A H1B  
2592 H H8A  . NDP B .   ? 0.565062 0.623691 0.399789 -0.0713099  -0.0187845  -0.00153721 201 NDP A H8A  
2593 H H61A . NDP B .   ? 0.622797 0.682549 0.44488  -0.0721852  -0.0650097  0.0934787   201 NDP A H61A 
2594 H H62A . NDP B .   ? 0.59921  0.668265 0.435528 -0.070447   -0.0640684  0.073159    201 NDP A H62A 
2595 H H2A  . NDP B .   ? 0.637456 0.69157  0.419606 -0.0940709  -0.00945337 0.0698652   201 NDP A H2A  
2596 H H51N . NDP B .   ? 0.500715 0.508471 0.429594 -0.019302   0.0355381   -0.0826769  201 NDP A H51N 
2597 H H52N . NDP B .   ? 0.462659 0.485938 0.422526 -0.0148444  0.0325248   -0.0681949  201 NDP A H52N 
2598 H H4D  . NDP B .   ? 0.491331 0.474654 0.438514 -0.0189261  0.0224914   -0.0860513  201 NDP A H4D  
2599 H H3D  . NDP B .   ? 0.499079 0.493636 0.45793  0.00303086  0.0506234   -0.0932976  201 NDP A H3D  
2601 H H2D  . NDP B .   ? 0.444634 0.466439 0.446129 0.00589368  0.0430516   -0.0712881  201 NDP A H2D  
2603 H H1D  . NDP B .   ? 0.441484 0.430418 0.445661 -0.00059265 0.0236499   -0.0721813  201 NDP A H1D  
2604 H H2N  . NDP B .   ? 0.403699 0.40343  0.436985 0.00124002  0.0157715   -0.0556416  201 NDP A H2N  
2605 H H71N . NDP B .   ? 0.376018 0.372876 0.431851 -0.00123692 0.0043855   -0.0375893  201 NDP A H71N 
2606 H H72N . NDP B .   ? 0.390676 0.383573 0.439384 0.00144726  0.00883453  -0.0468182  201 NDP A H72N 
2607 H H41N . NDP B .   ? 0.367734 0.396768 0.407048 -0.00639567 0.011639    -0.0334093  201 NDP A H41N 
2608 H H42N . NDP B .   ? 0.366342 0.401706 0.417392 -0.00179111 0.0158622   -0.0343321  201 NDP A H42N 
2609 H H5N  . NDP B .   ? 0.382045 0.427299 0.413748 -0.00708815 0.0229305   -0.0365636  201 NDP A H5N  
2610 H H6N  . NDP B .   ? 0.410141 0.445964 0.422333 -0.00431375 0.0293861   -0.0522728  201 NDP A H6N  
2611 C C1   . TOP C .   ? 0.335478 0.370055 0.412264 -0.014311   -0.00540538 -0.0281444  202 TOP A C1   
2612 N N2   . TOP C .   ? 0.324441 0.362709 0.430212 -0.0192978  0.00416584  0.022327    202 TOP A N2   
2613 C C3   . TOP C .   ? 0.311332 0.352732 0.417646 -0.0473766  0.0068017   0.0333364   202 TOP A C3   
2614 N N4   . TOP C .   ? 0.370275 0.280702 0.400138 -0.0150064  0.00723375  0.0501292   202 TOP A N4   
2615 N N5   . TOP C .   ? 0.325717 0.312151 0.388592 -0.0498904  -0.00276072 0.0162814   202 TOP A N5   
2616 C C6   . TOP C .   ? 0.324934 0.33383  0.400525 -0.0625776  0.0005068   0.00569991  202 TOP A C6   
2617 N N7   . TOP C .   ? 0.299246 0.410926 0.400223 -0.0664825  0.00045766  0.0174151   202 TOP A N7   
2618 C C8   . TOP C .   ? 0.322066 0.389567 0.386393 -0.0548647  -0.00621085 -0.030535   202 TOP A C8   
2619 C C9   . TOP C .   ? 0.311092 0.433481 0.443393 -0.0629815  -0.0066489  -0.0546757  202 TOP A C9   
2620 C C10  . TOP C .   ? 0.335142 0.427647 0.493764 -0.0560709  0.010613    -0.0651253  202 TOP A C10  
2621 C C11  . TOP C .   ? 0.315283 0.425094 0.50215  -0.0477379  0.0230113   -0.0544805  202 TOP A C11  
2622 C C12  . TOP C .   ? 0.328458 0.444104 0.542186 -0.0465194  0.0108521   -0.0367964  202 TOP A C12  
2623 O O13  . TOP C .   ? 0.293196 0.481774 0.532456 -0.0142124  0.0238245   -0.03169    202 TOP A O13  
2624 C C14  . TOP C .   ? 0.280914 0.47783  0.58775  0.00521031  -0.0146396  -0.035259   202 TOP A C14  
2625 C C15  . TOP C .   ? 0.400084 0.480781 0.558202 -0.020739   0.0290056   -0.0722785  202 TOP A C15  
2626 O O16  . TOP C .   ? 0.432907 0.480654 0.654815 -0.0141275  0.00854782  -0.0521116  202 TOP A O16  
2627 C C17  . TOP C .   ? 0.496    0.49238  0.740476 -0.00438464 0.00386342  -0.01797    202 TOP A C17  
2628 C C18  . TOP C .   ? 0.411885 0.452032 0.546592 -0.0226039  0.0195647   -0.0975984  202 TOP A C18  
2629 O O19  . TOP C .   ? 0.488433 0.485598 0.558102 0.00489326  0.0196298   -0.103271   202 TOP A O19  
2630 C C20  . TOP C .   ? 0.443422 0.483174 0.553318 -0.00245687 0.0163616   -0.115495   202 TOP A C20  
2631 C C21  . TOP C .   ? 0.358197 0.449542 0.498207 -0.0527882  0.035161    -0.0914214  202 TOP A C21  
2632 H H1   . TOP C .   ? 0.354432 0.405266 0.440628 0.00231841  0.00695181  -0.0191151  202 TOP A H1   
2633 H HN41 . TOP C .   ? 0.358252 0.364577 0.402572 -0.0108983  0.00090574  -0.0169267  202 TOP A HN41 
2634 H HN42 . TOP C .   ? 0.35818  0.369329 0.41175  -0.00942537 -0.00281001 -0.0145215  202 TOP A HN42 
2635 H HN71 . TOP C .   ? 0.359917 0.381436 0.399763 -0.0133631  0.00723282  -0.0186762  202 TOP A HN71 
2636 H HN72 . TOP C .   ? 0.360308 0.396244 0.405771 -0.0139917  0.0107483   -0.0199898  202 TOP A HN72 
2637 H H91  . TOP C .   ? 0.36109  0.414622 0.422647 -0.00525253 0.0178773   -0.0263693  202 TOP A H91  
2638 H H92  . TOP C .   ? 0.357751 0.420931 0.426298 -0.0121352  0.0147543   -0.018391   202 TOP A H92  
2639 H H11  . TOP C .   ? 0.353681 0.446109 0.457096 -0.0057131  0.0120712   -0.0110552  202 TOP A H11  
2640 H H141 . TOP C .   ? 0.352667 0.473943 0.488542 -0.00286389 0.0022987   0.00233694  202 TOP A H141 
2641 H H142 . TOP C .   ? 0.352838 0.512293 0.518916 0.00088524  0.00512547  0.0104338   202 TOP A H142 
2642 H H143 . TOP C .   ? 0.353075 0.494693 0.493353 -0.0090271  0.0101933   0.00309695  202 TOP A H143 
2643 H H171 . TOP C .   ? 0.401616 0.479038 0.532877 0.0530103   0.0448908   -0.0375015  202 TOP A H171 
2644 H H172 . TOP C .   ? 0.3986   0.506268 0.563733 0.0635939   0.0456383   -0.0260406  202 TOP A H172 
2645 H H173 . TOP C .   ? 0.386279 0.472673 0.532932 0.0488012   0.0309797   -0.0234491  202 TOP A H173 
2646 H H201 . TOP C .   ? 0.404306 0.467224 0.467541 0.0204079   0.0477104   -0.0514398  202 TOP A H201 
2647 H H202 . TOP C .   ? 0.423873 0.468383 0.487671 0.0329441   0.0527797   -0.0615571  202 TOP A H202 
2648 H H203 . TOP C .   ? 0.402337 0.442284 0.465387 0.0218646   0.0383271   -0.052921   202 TOP A H203 
2649 H H21  . TOP C .   ? 0.374326 0.432532 0.446178 0.00945337  0.0283685   -0.0368427  202 TOP A H21  
# 
