data_9GQD
# 
_entry.id   9GQD 
# 
_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   9GQD         pdb_00009gqd 10.2210/pdb9gqd/pdb 
WWPDB D_1292141291 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-01-15 ? 
2 'Structure model' 1 1 2025-03-12 ? 
3 'Structure model' 1 2 2025-03-19 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 3 'Structure model' citation        
3 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 3 'Structure model' '_citation.page_first'              
5 3 'Structure model' '_citation.page_last'               
6 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GQD 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Spiske, M.'  2 ? 
'Hausch, F.'  3 ? 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202418511 
_citation.page_last                 e202418511 
_citation.title                     
'Conformationally Restricted Macrocycles as Improved FKBP51 Inhibitors Enabled by Systematic Linker Derivatization.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418511 
_citation.pdbx_database_id_PubMed   39752587 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Spiske, M.'     1 ?                   
primary 'Meyners, C.'    2 ?                   
primary 'Bauder, M.'     3 ?                   
primary 'Repity, M.'     4 ?                   
primary 'Brudy, C.'      5 ?                   
primary 'Sugiarto, W.O.' 6 ?                   
primary 'Achaq, H.'      7 ?                   
primary 'Geiger, T.M.'   8 ?                   
primary 'Hausch, F.'     9 0000-0002-3710-8838 
# 
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 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2  5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
;
529.665   2  ?       ?                    ? ? 
3 water       nat water 18.015    41 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_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       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_strand_id                 B,A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
;
A1IOA 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   PRO n 
1 4   ALA n 
1 5   THR n 
1 6   VAL n 
1 7   THR n 
1 8   GLU n 
1 9   GLN n 
1 10  GLY n 
1 11  GLU n 
1 12  ASP n 
1 13  ILE n 
1 14  THR n 
1 15  SER n 
1 16  LYS n 
1 17  LYS n 
1 18  ASP n 
1 19  ARG n 
1 20  GLY n 
1 21  VAL n 
1 22  LEU n 
1 23  LYS n 
1 24  ILE n 
1 25  VAL n 
1 26  LYS n 
1 27  ARG n 
1 28  VAL n 
1 29  GLY n 
1 30  ASN n 
1 31  GLY n 
1 32  GLU n 
1 33  GLU n 
1 34  THR n 
1 35  PRO n 
1 36  MET n 
1 37  ILE n 
1 38  GLY n 
1 39  ASP n 
1 40  LYS n 
1 41  VAL n 
1 42  TYR n 
1 43  VAL n 
1 44  HIS n 
1 45  TYR n 
1 46  LYS n 
1 47  GLY n 
1 48  LYS n 
1 49  LEU n 
1 50  SER n 
1 51  ASN n 
1 52  GLY n 
1 53  LYS n 
1 54  LYS n 
1 55  PHE n 
1 56  ASP n 
1 57  SER n 
1 58  SER n 
1 59  HIS n 
1 60  ASP n 
1 61  ARG n 
1 62  ASN n 
1 63  GLU n 
1 64  PRO n 
1 65  PHE n 
1 66  VAL n 
1 67  PHE n 
1 68  SER n 
1 69  LEU n 
1 70  GLY n 
1 71  LYS n 
1 72  GLY n 
1 73  GLN n 
1 74  VAL n 
1 75  ILE n 
1 76  LYS n 
1 77  ALA n 
1 78  TRP n 
1 79  ASP n 
1 80  ILE n 
1 81  GLY n 
1 82  VAL n 
1 83  ALA n 
1 84  THR n 
1 85  MET n 
1 86  LYS n 
1 87  LYS n 
1 88  GLY n 
1 89  GLU n 
1 90  ILE n 
1 91  ALA n 
1 92  HIS n 
1 93  LEU n 
1 94  LEU n 
1 95  ILE n 
1 96  LYS n 
1 97  PRO n 
1 98  GLU n 
1 99  TYR n 
1 100 ALA n 
1 101 TYR n 
1 102 GLY n 
1 103 SER n 
1 104 ALA n 
1 105 GLY n 
1 106 SER n 
1 107 LEU n 
1 108 PRO n 
1 109 LYS n 
1 110 ILE n 
1 111 PRO n 
1 112 SER n 
1 113 ASN n 
1 114 ALA n 
1 115 THR n 
1 116 LEU n 
1 117 PHE n 
1 118 PHE n 
1 119 GLU n 
1 120 ILE n 
1 121 GLU n 
1 122 LEU n 
1 123 LEU n 
1 124 ASP n 
1 125 PHE n 
1 126 LYS n 
1 127 GLY n 
1 128 GLU 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                   128 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FKBP5, AIG6, FKBP51' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      
;Escherichia coli 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_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 
A1IOA non-polymer         . 
;(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
;
? 'C30 H43 N O7'   529.665 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   13  13  GLY GLY B . n 
A 1 2   ALA 2   14  14  ALA ALA B . n 
A 1 3   PRO 3   15  15  PRO PRO B . n 
A 1 4   ALA 4   16  16  ALA ALA B . n 
A 1 5   THR 5   17  17  THR THR B . n 
A 1 6   VAL 6   18  18  VAL VAL B . n 
A 1 7   THR 7   19  19  THR THR B . n 
A 1 8   GLU 8   20  20  GLU GLU B . n 
A 1 9   GLN 9   21  21  GLN GLN B . n 
A 1 10  GLY 10  22  22  GLY GLY B . n 
A 1 11  GLU 11  23  23  GLU GLU B . n 
A 1 12  ASP 12  24  24  ASP ASP B . n 
A 1 13  ILE 13  25  25  ILE ILE B . n 
A 1 14  THR 14  26  26  THR THR B . n 
A 1 15  SER 15  27  27  SER SER B . n 
A 1 16  LYS 16  28  28  LYS LYS B . n 
A 1 17  LYS 17  29  29  LYS LYS B . n 
A 1 18  ASP 18  30  30  ASP ASP B . n 
A 1 19  ARG 19  31  31  ARG ARG B . n 
A 1 20  GLY 20  32  32  GLY GLY B . n 
A 1 21  VAL 21  33  33  VAL VAL B . n 
A 1 22  LEU 22  34  34  LEU LEU B . n 
A 1 23  LYS 23  35  35  LYS LYS B . n 
A 1 24  ILE 24  36  36  ILE ILE B . n 
A 1 25  VAL 25  37  37  VAL VAL B . n 
A 1 26  LYS 26  38  38  LYS LYS B . n 
A 1 27  ARG 27  39  39  ARG ARG B . n 
A 1 28  VAL 28  40  40  VAL VAL B . n 
A 1 29  GLY 29  41  41  GLY GLY B . n 
A 1 30  ASN 30  42  42  ASN ASN B . n 
A 1 31  GLY 31  43  43  GLY GLY B . n 
A 1 32  GLU 32  44  44  GLU GLU B . n 
A 1 33  GLU 33  45  45  GLU GLU B . n 
A 1 34  THR 34  46  46  THR THR B . n 
A 1 35  PRO 35  47  47  PRO PRO B . n 
A 1 36  MET 36  48  48  MET MET B . n 
A 1 37  ILE 37  49  49  ILE ILE B . n 
A 1 38  GLY 38  50  50  GLY GLY B . n 
A 1 39  ASP 39  51  51  ASP ASP B . n 
A 1 40  LYS 40  52  52  LYS LYS B . n 
A 1 41  VAL 41  53  53  VAL VAL B . n 
A 1 42  TYR 42  54  54  TYR TYR B . n 
A 1 43  VAL 43  55  55  VAL VAL B . n 
A 1 44  HIS 44  56  56  HIS HIS B . n 
A 1 45  TYR 45  57  57  TYR TYR B . n 
A 1 46  LYS 46  58  58  LYS LYS B . n 
A 1 47  GLY 47  59  59  GLY GLY B . n 
A 1 48  LYS 48  60  60  LYS LYS B . n 
A 1 49  LEU 49  61  61  LEU LEU B . n 
A 1 50  SER 50  62  62  SER SER B . n 
A 1 51  ASN 51  63  63  ASN ASN B . n 
A 1 52  GLY 52  64  64  GLY GLY B . n 
A 1 53  LYS 53  65  65  LYS LYS B . n 
A 1 54  LYS 54  66  66  LYS LYS B . n 
A 1 55  PHE 55  67  67  PHE PHE B . n 
A 1 56  ASP 56  68  68  ASP ASP B . n 
A 1 57  SER 57  69  69  SER SER B . n 
A 1 58  SER 58  70  70  SER SER B . n 
A 1 59  HIS 59  71  71  HIS HIS B . n 
A 1 60  ASP 60  72  72  ASP ASP B . n 
A 1 61  ARG 61  73  73  ARG ARG B . n 
A 1 62  ASN 62  74  74  ASN ASN B . n 
A 1 63  GLU 63  75  75  GLU GLU B . n 
A 1 64  PRO 64  76  76  PRO PRO B . n 
A 1 65  PHE 65  77  77  PHE PHE B . n 
A 1 66  VAL 66  78  78  VAL VAL B . n 
A 1 67  PHE 67  79  79  PHE PHE B . n 
A 1 68  SER 68  80  80  SER SER B . n 
A 1 69  LEU 69  81  81  LEU LEU B . n 
A 1 70  GLY 70  82  82  GLY GLY B . n 
A 1 71  LYS 71  83  83  LYS LYS B . n 
A 1 72  GLY 72  84  84  GLY GLY B . n 
A 1 73  GLN 73  85  85  GLN GLN B . n 
A 1 74  VAL 74  86  86  VAL VAL B . n 
A 1 75  ILE 75  87  87  ILE ILE B . n 
A 1 76  LYS 76  88  88  LYS LYS B . n 
A 1 77  ALA 77  89  89  ALA ALA B . n 
A 1 78  TRP 78  90  90  TRP TRP B . n 
A 1 79  ASP 79  91  91  ASP ASP B . n 
A 1 80  ILE 80  92  92  ILE ILE B . n 
A 1 81  GLY 81  93  93  GLY GLY B . n 
A 1 82  VAL 82  94  94  VAL VAL B . n 
A 1 83  ALA 83  95  95  ALA ALA B . n 
A 1 84  THR 84  96  96  THR THR B . n 
A 1 85  MET 85  97  97  MET MET B . n 
A 1 86  LYS 86  98  98  LYS LYS B . n 
A 1 87  LYS 87  99  99  LYS LYS B . n 
A 1 88  GLY 88  100 100 GLY GLY B . n 
A 1 89  GLU 89  101 101 GLU GLU B . n 
A 1 90  ILE 90  102 102 ILE ILE B . n 
A 1 91  ALA 91  103 103 ALA ALA B . n 
A 1 92  HIS 92  104 104 HIS HIS B . n 
A 1 93  LEU 93  105 105 LEU LEU B . n 
A 1 94  LEU 94  106 106 LEU LEU B . n 
A 1 95  ILE 95  107 107 ILE ILE B . n 
A 1 96  LYS 96  108 108 LYS LYS B . n 
A 1 97  PRO 97  109 109 PRO PRO B . n 
A 1 98  GLU 98  110 110 GLU GLU B . n 
A 1 99  TYR 99  111 111 TYR TYR B . n 
A 1 100 ALA 100 112 112 ALA ALA B . n 
A 1 101 TYR 101 113 113 TYR TYR B . n 
A 1 102 GLY 102 114 114 GLY GLY B . n 
A 1 103 SER 103 115 115 SER SER B . n 
A 1 104 ALA 104 116 116 ALA ALA B . n 
A 1 105 GLY 105 117 117 GLY GLY B . n 
A 1 106 SER 106 118 118 SER SER B . n 
A 1 107 LEU 107 119 119 LEU LEU B . n 
A 1 108 PRO 108 120 120 PRO PRO B . n 
A 1 109 LYS 109 121 121 LYS LYS B . n 
A 1 110 ILE 110 122 122 ILE ILE B . n 
A 1 111 PRO 111 123 123 PRO PRO B . n 
A 1 112 SER 112 124 124 SER SER B . n 
A 1 113 ASN 113 125 125 ASN ASN B . n 
A 1 114 ALA 114 126 126 ALA ALA B . n 
A 1 115 THR 115 127 127 THR THR B . n 
A 1 116 LEU 116 128 128 LEU LEU B . n 
A 1 117 PHE 117 129 129 PHE PHE B . n 
A 1 118 PHE 118 130 130 PHE PHE B . n 
A 1 119 GLU 119 131 131 GLU GLU B . n 
A 1 120 ILE 120 132 132 ILE ILE B . n 
A 1 121 GLU 121 133 133 GLU GLU B . n 
A 1 122 LEU 122 134 134 LEU LEU B . n 
A 1 123 LEU 123 135 135 LEU LEU B . n 
A 1 124 ASP 124 136 136 ASP ASP B . n 
A 1 125 PHE 125 137 137 PHE PHE B . n 
A 1 126 LYS 126 138 138 LYS LYS B . n 
A 1 127 GLY 127 139 139 GLY GLY B . n 
A 1 128 GLU 128 140 140 GLU GLU B . n 
B 1 1   GLY 1   13  13  GLY GLY A . n 
B 1 2   ALA 2   14  14  ALA ALA A . n 
B 1 3   PRO 3   15  15  PRO PRO A . n 
B 1 4   ALA 4   16  16  ALA ALA A . n 
B 1 5   THR 5   17  17  THR THR A . n 
B 1 6   VAL 6   18  18  VAL VAL A . n 
B 1 7   THR 7   19  19  THR THR A . n 
B 1 8   GLU 8   20  20  GLU GLU A . n 
B 1 9   GLN 9   21  21  GLN GLN A . n 
B 1 10  GLY 10  22  22  GLY GLY A . n 
B 1 11  GLU 11  23  23  GLU GLU A . n 
B 1 12  ASP 12  24  24  ASP ASP A . n 
B 1 13  ILE 13  25  25  ILE ILE A . n 
B 1 14  THR 14  26  26  THR THR A . n 
B 1 15  SER 15  27  27  SER SER A . n 
B 1 16  LYS 16  28  28  LYS LYS A . n 
B 1 17  LYS 17  29  29  LYS LYS A . n 
B 1 18  ASP 18  30  30  ASP ASP A . n 
B 1 19  ARG 19  31  31  ARG ARG A . n 
B 1 20  GLY 20  32  32  GLY GLY A . n 
B 1 21  VAL 21  33  33  VAL VAL A . n 
B 1 22  LEU 22  34  34  LEU LEU A . n 
B 1 23  LYS 23  35  35  LYS LYS A . n 
B 1 24  ILE 24  36  36  ILE ILE A . n 
B 1 25  VAL 25  37  37  VAL VAL A . n 
B 1 26  LYS 26  38  38  LYS LYS A . n 
B 1 27  ARG 27  39  39  ARG ARG A . n 
B 1 28  VAL 28  40  40  VAL VAL A . n 
B 1 29  GLY 29  41  41  GLY GLY A . n 
B 1 30  ASN 30  42  42  ASN ASN A . n 
B 1 31  GLY 31  43  43  GLY GLY A . n 
B 1 32  GLU 32  44  44  GLU GLU A . n 
B 1 33  GLU 33  45  45  GLU GLU A . n 
B 1 34  THR 34  46  46  THR THR A . n 
B 1 35  PRO 35  47  47  PRO PRO A . n 
B 1 36  MET 36  48  48  MET MET A . n 
B 1 37  ILE 37  49  49  ILE ILE A . n 
B 1 38  GLY 38  50  50  GLY GLY A . n 
B 1 39  ASP 39  51  51  ASP ASP A . n 
B 1 40  LYS 40  52  52  LYS LYS A . n 
B 1 41  VAL 41  53  53  VAL VAL A . n 
B 1 42  TYR 42  54  54  TYR TYR A . n 
B 1 43  VAL 43  55  55  VAL VAL A . n 
B 1 44  HIS 44  56  56  HIS HIS A . n 
B 1 45  TYR 45  57  57  TYR TYR A . n 
B 1 46  LYS 46  58  58  LYS LYS A . n 
B 1 47  GLY 47  59  59  GLY GLY A . n 
B 1 48  LYS 48  60  60  LYS LYS A . n 
B 1 49  LEU 49  61  61  LEU LEU A . n 
B 1 50  SER 50  62  62  SER SER A . n 
B 1 51  ASN 51  63  63  ASN ASN A . n 
B 1 52  GLY 52  64  64  GLY GLY A . n 
B 1 53  LYS 53  65  65  LYS LYS A . n 
B 1 54  LYS 54  66  66  LYS LYS A . n 
B 1 55  PHE 55  67  67  PHE PHE A . n 
B 1 56  ASP 56  68  68  ASP ASP A . n 
B 1 57  SER 57  69  69  SER SER A . n 
B 1 58  SER 58  70  70  SER SER A . n 
B 1 59  HIS 59  71  71  HIS HIS A . n 
B 1 60  ASP 60  72  72  ASP ASP A . n 
B 1 61  ARG 61  73  73  ARG ARG A . n 
B 1 62  ASN 62  74  74  ASN ASN A . n 
B 1 63  GLU 63  75  75  GLU GLU A . n 
B 1 64  PRO 64  76  76  PRO PRO A . n 
B 1 65  PHE 65  77  77  PHE PHE A . n 
B 1 66  VAL 66  78  78  VAL VAL A . n 
B 1 67  PHE 67  79  79  PHE PHE A . n 
B 1 68  SER 68  80  80  SER SER A . n 
B 1 69  LEU 69  81  81  LEU LEU A . n 
B 1 70  GLY 70  82  82  GLY GLY A . n 
B 1 71  LYS 71  83  83  LYS LYS A . n 
B 1 72  GLY 72  84  84  GLY GLY A . n 
B 1 73  GLN 73  85  85  GLN GLN A . n 
B 1 74  VAL 74  86  86  VAL VAL A . n 
B 1 75  ILE 75  87  87  ILE ILE A . n 
B 1 76  LYS 76  88  88  LYS LYS A . n 
B 1 77  ALA 77  89  89  ALA ALA A . n 
B 1 78  TRP 78  90  90  TRP TRP A . n 
B 1 79  ASP 79  91  91  ASP ASP A . n 
B 1 80  ILE 80  92  92  ILE ILE A . n 
B 1 81  GLY 81  93  93  GLY GLY A . n 
B 1 82  VAL 82  94  94  VAL VAL A . n 
B 1 83  ALA 83  95  95  ALA ALA A . n 
B 1 84  THR 84  96  96  THR THR A . n 
B 1 85  MET 85  97  97  MET MET A . n 
B 1 86  LYS 86  98  98  LYS LYS A . n 
B 1 87  LYS 87  99  99  LYS LYS A . n 
B 1 88  GLY 88  100 100 GLY GLY A . n 
B 1 89  GLU 89  101 101 GLU GLU A . n 
B 1 90  ILE 90  102 102 ILE ILE A . n 
B 1 91  ALA 91  103 103 ALA ALA A . n 
B 1 92  HIS 92  104 104 HIS HIS A . n 
B 1 93  LEU 93  105 105 LEU LEU A . n 
B 1 94  LEU 94  106 106 LEU LEU A . n 
B 1 95  ILE 95  107 107 ILE ILE A . n 
B 1 96  LYS 96  108 108 LYS LYS A . n 
B 1 97  PRO 97  109 109 PRO PRO A . n 
B 1 98  GLU 98  110 110 GLU GLU A . n 
B 1 99  TYR 99  111 111 TYR TYR A . n 
B 1 100 ALA 100 112 112 ALA ALA A . n 
B 1 101 TYR 101 113 113 TYR TYR A . n 
B 1 102 GLY 102 114 114 GLY GLY A . n 
B 1 103 SER 103 115 115 SER SER A . n 
B 1 104 ALA 104 116 116 ALA ALA A . n 
B 1 105 GLY 105 117 117 GLY GLY A . n 
B 1 106 SER 106 118 118 SER SER A . n 
B 1 107 LEU 107 119 119 LEU LEU A . n 
B 1 108 PRO 108 120 120 PRO PRO A . n 
B 1 109 LYS 109 121 121 LYS LYS A . n 
B 1 110 ILE 110 122 122 ILE ILE A . n 
B 1 111 PRO 111 123 123 PRO PRO A . n 
B 1 112 SER 112 124 124 SER SER A . n 
B 1 113 ASN 113 125 125 ASN ASN A . n 
B 1 114 ALA 114 126 126 ALA ALA A . n 
B 1 115 THR 115 127 127 THR THR A . n 
B 1 116 LEU 116 128 128 LEU LEU A . n 
B 1 117 PHE 117 129 129 PHE PHE A . n 
B 1 118 PHE 118 130 130 PHE PHE A . n 
B 1 119 GLU 119 131 131 GLU GLU A . n 
B 1 120 ILE 120 132 132 ILE ILE A . n 
B 1 121 GLU 121 133 133 GLU GLU A . n 
B 1 122 LEU 122 134 134 LEU LEU A . n 
B 1 123 LEU 123 135 135 LEU LEU A . n 
B 1 124 ASP 124 136 136 ASP ASP A . n 
B 1 125 PHE 125 137 137 PHE PHE A . n 
B 1 126 LYS 126 138 138 LYS LYS A . n 
B 1 127 GLY 127 139 139 GLY GLY A . n 
B 1 128 GLU 128 140 140 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IOA 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IOA 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 A1IOA 1  201 201 A1IOA DRG B . 
D 2 A1IOA 1  201 201 A1IOA DRG A . 
E 3 HOH   1  301 34  HOH   HOH B . 
E 3 HOH   2  302 4   HOH   HOH B . 
E 3 HOH   3  303 30  HOH   HOH B . 
E 3 HOH   4  304 12  HOH   HOH B . 
E 3 HOH   5  305 23  HOH   HOH B . 
E 3 HOH   6  306 28  HOH   HOH B . 
E 3 HOH   7  307 35  HOH   HOH B . 
E 3 HOH   8  308 13  HOH   HOH B . 
E 3 HOH   9  309 20  HOH   HOH B . 
E 3 HOH   10 310 9   HOH   HOH B . 
E 3 HOH   11 311 17  HOH   HOH B . 
E 3 HOH   12 312 40  HOH   HOH B . 
E 3 HOH   13 313 25  HOH   HOH B . 
E 3 HOH   14 314 38  HOH   HOH B . 
E 3 HOH   15 315 26  HOH   HOH B . 
E 3 HOH   16 316 11  HOH   HOH B . 
E 3 HOH   17 317 31  HOH   HOH B . 
E 3 HOH   18 318 32  HOH   HOH B . 
E 3 HOH   19 319 7   HOH   HOH B . 
E 3 HOH   20 320 33  HOH   HOH B . 
E 3 HOH   21 321 14  HOH   HOH B . 
E 3 HOH   22 322 24  HOH   HOH B . 
E 3 HOH   23 323 10  HOH   HOH B . 
E 3 HOH   24 324 44  HOH   HOH B . 
E 3 HOH   25 325 22  HOH   HOH B . 
E 3 HOH   26 326 42  HOH   HOH B . 
F 3 HOH   1  301 37  HOH   HOH A . 
F 3 HOH   2  302 36  HOH   HOH A . 
F 3 HOH   3  303 15  HOH   HOH A . 
F 3 HOH   4  304 43  HOH   HOH A . 
F 3 HOH   5  305 16  HOH   HOH A . 
F 3 HOH   6  306 39  HOH   HOH A . 
F 3 HOH   7  307 18  HOH   HOH A . 
F 3 HOH   8  308 6   HOH   HOH A . 
F 3 HOH   9  309 29  HOH   HOH A . 
F 3 HOH   10 310 1   HOH   HOH A . 
F 3 HOH   11 311 21  HOH   HOH A . 
F 3 HOH   12 312 2   HOH   HOH A . 
F 3 HOH   13 313 8   HOH   HOH A . 
F 3 HOH   14 314 5   HOH   HOH A . 
F 3 HOH   15 315 27  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1   1 Y 1 B GLU 44  ? CG  ? A GLU 32  CG  
2   1 Y 1 B GLU 44  ? CD  ? A GLU 32  CD  
3   1 Y 1 B GLU 44  ? OE1 ? A GLU 32  OE1 
4   1 Y 1 B GLU 44  ? OE2 ? A GLU 32  OE2 
5   1 Y 1 B GLU 45  ? CG  ? A GLU 33  CG  
6   1 Y 1 B GLU 45  ? CD  ? A GLU 33  CD  
7   1 Y 1 B GLU 45  ? OE1 ? A GLU 33  OE1 
8   1 Y 1 B GLU 45  ? OE2 ? A GLU 33  OE2 
9   1 Y 1 B LYS 52  ? CG  ? A LYS 40  CG  
10  1 Y 1 B LYS 52  ? CD  ? A LYS 40  CD  
11  1 Y 1 B LYS 52  ? CE  ? A LYS 40  CE  
12  1 Y 1 B LYS 52  ? NZ  ? A LYS 40  NZ  
13  1 Y 1 B ASN 63  ? CG  ? A ASN 51  CG  
14  1 Y 1 B ASN 63  ? OD1 ? A ASN 51  OD1 
15  1 Y 1 B ASN 63  ? ND2 ? A ASN 51  ND2 
16  1 Y 1 B LYS 65  ? CG  ? A LYS 53  CG  
17  1 Y 1 B LYS 65  ? CD  ? A LYS 53  CD  
18  1 Y 1 B LYS 65  ? CE  ? A LYS 53  CE  
19  1 Y 1 B LYS 65  ? NZ  ? A LYS 53  NZ  
20  1 Y 1 B LYS 66  ? CG  ? A LYS 54  CG  
21  1 Y 1 B LYS 66  ? CD  ? A LYS 54  CD  
22  1 Y 1 B LYS 66  ? CE  ? A LYS 54  CE  
23  1 Y 1 B LYS 66  ? NZ  ? A LYS 54  NZ  
24  1 Y 1 B ARG 73  ? CG  ? A ARG 61  CG  
25  1 Y 1 B ARG 73  ? CD  ? A ARG 61  CD  
26  1 Y 1 B ARG 73  ? NE  ? A ARG 61  NE  
27  1 Y 1 B ARG 73  ? CZ  ? A ARG 61  CZ  
28  1 Y 1 B ARG 73  ? NH1 ? A ARG 61  NH1 
29  1 Y 1 B ARG 73  ? NH2 ? A ARG 61  NH2 
30  1 Y 1 B ASN 74  ? CG  ? A ASN 62  CG  
31  1 Y 1 B ASN 74  ? OD1 ? A ASN 62  OD1 
32  1 Y 1 B ASN 74  ? ND2 ? A ASN 62  ND2 
33  1 Y 1 B LYS 83  ? CG  ? A LYS 71  CG  
34  1 Y 1 B LYS 83  ? CD  ? A LYS 71  CD  
35  1 Y 1 B LYS 83  ? CE  ? A LYS 71  CE  
36  1 Y 1 B LYS 83  ? NZ  ? A LYS 71  NZ  
37  1 Y 1 B LYS 88  ? CG  ? A LYS 76  CG  
38  1 Y 1 B LYS 88  ? CD  ? A LYS 76  CD  
39  1 Y 1 B LYS 88  ? CE  ? A LYS 76  CE  
40  1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
41  1 Y 1 B LYS 121 ? CG  ? A LYS 109 CG  
42  1 Y 1 B LYS 121 ? CD  ? A LYS 109 CD  
43  1 Y 1 B LYS 121 ? CE  ? A LYS 109 CE  
44  1 Y 1 B LYS 121 ? NZ  ? A LYS 109 NZ  
45  1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
46  1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
47  1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
48  1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
49  1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
50  1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
51  1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
52  1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
53  1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
54  1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
55  1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
56  1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
57  1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
58  1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
59  1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
60  1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
61  1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
62  1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
63  1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
64  1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
65  1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
66  1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
67  1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
68  1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
69  1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
70  1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
71  1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
72  1 Y 1 A ARG 73  ? CG  ? B ARG 61  CG  
73  1 Y 1 A ARG 73  ? CD  ? B ARG 61  CD  
74  1 Y 1 A ARG 73  ? NE  ? B ARG 61  NE  
75  1 Y 1 A ARG 73  ? CZ  ? B ARG 61  CZ  
76  1 Y 1 A ARG 73  ? NH1 ? B ARG 61  NH1 
77  1 Y 1 A ARG 73  ? NH2 ? B ARG 61  NH2 
78  1 Y 1 A ASN 74  ? CG  ? B ASN 62  CG  
79  1 Y 1 A ASN 74  ? OD1 ? B ASN 62  OD1 
80  1 Y 1 A ASN 74  ? ND2 ? B ASN 62  ND2 
81  1 Y 1 A LYS 83  ? CG  ? B LYS 71  CG  
82  1 Y 1 A LYS 83  ? CD  ? B LYS 71  CD  
83  1 Y 1 A LYS 83  ? CE  ? B LYS 71  CE  
84  1 Y 1 A LYS 83  ? NZ  ? B LYS 71  NZ  
85  1 Y 1 A LYS 88  ? CG  ? B LYS 76  CG  
86  1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
87  1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
88  1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
89  1 Y 1 A LYS 99  ? CG  ? B LYS 87  CG  
90  1 Y 1 A LYS 99  ? CD  ? B LYS 87  CD  
91  1 Y 1 A LYS 99  ? CE  ? B LYS 87  CE  
92  1 Y 1 A LYS 99  ? NZ  ? B LYS 87  NZ  
93  1 Y 1 A LYS 121 ? CG  ? B LYS 109 CG  
94  1 Y 1 A LYS 121 ? CD  ? B LYS 109 CD  
95  1 Y 1 A LYS 121 ? CE  ? B LYS 109 CE  
96  1 Y 1 A LYS 121 ? NZ  ? B LYS 109 NZ  
97  1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
98  1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
99  1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
100 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
101 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
102 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
103 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
104 1 Y 1 A GLU 140 ? OE2 ? B GLU 128 OE2 
# 
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  ? ? ? '5.8.0430 (refmacat 0.4.82)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GQD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.559 
_cell.length_a_esd                 ? 
_cell.length_b                     48.559 
_cell.length_b_esd                 ? 
_cell.length_c                     194.531 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         9GQD 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                154 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 2 1' 
_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                   9GQD 
_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             2.36 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.97 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '18% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-20 
_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                    ? 
_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   0.918400 
_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                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.918400 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GQD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.50 
_reflns.d_resolution_low                               48.63 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     9922 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.01 
_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                                0.184 
_reflns.pdbx_Rpim_I_all                                0.077 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.995 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.167 
_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 
9.01 48.63 ? 16.5 ? ? ? ? 277  ? ? ? ? ? ? ? ? ? ? ? 7.5  1.10 ? ? 0.121 0.052 ? 1 ? 0.990 ? ? 99.7  ? 0.110 ? ? ? ? ? ? ? ? ? 
2.50 2.60  ? 3.8  ? ? ? ? 1070 ? ? ? ? ? ? ? ? ? ? ? 10.9 0.95 ? ? 0.627 0.259 ? 2 ? 0.941 ? ? 100.0 ? 0.571 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -1.949 
_refine.aniso_B[1][2]                            -0.975 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -1.949 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            6.324 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               37.405 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.932 
_refine.correlation_coeff_Fo_to_Fc_free          0.890 
_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                                 9GQD 
_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                            2.500 
_refine.ls_d_res_low                             41.138 
_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                     9874 
_refine.ls_number_reflns_R_free                  478 
_refine.ls_number_reflns_R_work                  9396 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.929 
_refine.ls_percent_reflns_R_free                 4.841 
_refine.ls_R_factor_all                          0.220 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2754 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2171 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.647 
_refine.pdbx_overall_ESU_R_Free                  0.322 
_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                             23.496 
_refine.overall_SU_ML                            0.253 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.500 
_refine_hist.d_res_low                        41.138 
_refine_hist.number_atoms_solvent             41 
_refine_hist.number_atoms_total               1987 
_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        1870 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         76 
_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' ? 0.010  0.012  1992 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1834 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.032  1.818  2698 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.647  1.741  4273 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 9.759  5.000  254  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 29.957 12.500 16   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.625 10.000 296  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.147 10.000 68   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  298  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  2272 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  400  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.226  0.200  385  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.203  0.200  1816 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  1011 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.097  0.200  1081 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.148  0.200  83   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.182  0.200  12   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.170  0.200  47   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.251  0.200  4    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.254  0.200  1    ? r_xyhbond_nbd_other            ? ? 
'X-RAY DIFFRACTION' ? 1.920  2.044  1022 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.919  2.044  1022 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.056  3.663  1274 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.055  3.665  1275 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.072  2.086  970  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.071  2.085  971  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.375  3.770  1424 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.374  3.769  1425 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.130  19.929 2190 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.094  19.913 2187 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? 2.76104 0.13041 0.50000 0.05000 1 'tight positional; tight thermal' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? 2.76104 0.13041 0.50000 0.05000 2 'tight positional; tight thermal' ? A ? ? ? 1 
# 
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' 2.500  2.565  715 . 37 677 99.8601  . 0.236 . . 0.235 . . . . . 0.220 . 20 . 0.959 0.944 0.257 
'X-RAY DIFFRACTION' 2.565  2.635  677 . 24 653 100.0000 . 0.261 . . 0.254 . . . . . 0.237 . 20 . 0.954 0.911 0.504 
'X-RAY DIFFRACTION' 2.635  2.711  693 . 37 656 100.0000 . 0.257 . . 0.248 . . . . . 0.234 . 20 . 0.957 0.917 0.435 
'X-RAY DIFFRACTION' 2.711  2.794  630 . 29 600 99.8413  . 0.252 . . 0.250 . . . . . 0.233 . 20 . 0.956 0.944 0.310 
'X-RAY DIFFRACTION' 2.794  2.885  638 . 27 611 100.0000 . 0.236 . . 0.233 . . . . . 0.214 . 20 . 0.960 0.946 0.300 
'X-RAY DIFFRACTION' 2.885  2.986  624 . 22 601 99.8397  . 0.245 . . 0.242 . . . . . 0.224 . 20 . 0.958 0.959 0.338 
'X-RAY DIFFRACTION' 2.986  3.098  572 . 37 535 100.0000 . 0.229 . . 0.221 . . . . . 0.205 . 20 . 0.966 0.895 0.339 
'X-RAY DIFFRACTION' 3.098  3.224  606 . 32 574 100.0000 . 0.218 . . 0.215 . . . . . 0.203 . 20 . 0.965 0.960 0.262 
'X-RAY DIFFRACTION' 3.224  3.366  533 . 21 512 100.0000 . 0.210 . . 0.207 . . . . . 0.196 . 20 . 0.971 0.959 0.295 
'X-RAY DIFFRACTION' 3.366  3.529  545 . 24 521 100.0000 . 0.224 . . 0.225 . . . . . 0.217 . 20 . 0.972 0.971 0.202 
'X-RAY DIFFRACTION' 3.529  3.719  499 . 26 473 100.0000 . 0.200 . . 0.197 . . . . . 0.193 . 20 . 0.977 0.959 0.260 
'X-RAY DIFFRACTION' 3.719  3.942  476 . 30 446 100.0000 . 0.200 . . 0.194 . . . . . 0.190 . 20 . 0.977 0.956 0.281 
'X-RAY DIFFRACTION' 3.942  4.212  470 . 25 445 100.0000 . 0.186 . . 0.186 . . . . . 0.187 . 20 . 0.980 0.975 0.180 
'X-RAY DIFFRACTION' 4.212  4.545  424 . 18 406 100.0000 . 0.173 . . 0.168 . . . . . 0.173 . 20 . 0.982 0.934 0.326 
'X-RAY DIFFRACTION' 4.545  4.973  405 . 17 388 100.0000 . 0.176 . . 0.173 . . . . . 0.187 . 20 . 0.980 0.954 0.240 
'X-RAY DIFFRACTION' 4.973  5.550  367 . 25 341 99.7275  . 0.231 . . 0.229 . . . . . 0.246 . 20 . 0.970 0.953 0.260 
'X-RAY DIFFRACTION' 5.550  6.389  324 . 11 313 100.0000 . 0.257 . . 0.258 . . . . . 0.264 . 20 . 0.969 0.967 0.249 
'X-RAY DIFFRACTION' 6.389  7.778  289 . 18 271 100.0000 . 0.244 . . 0.242 . . . . . 0.259 . 20 . 0.967 0.948 0.282 
'X-RAY DIFFRACTION' 7.778  10.808 235 . 8  227 100.0000 . 0.207 . . 0.209 . . . . . 0.237 . 20 . 0.971 0.991 0.143 
'X-RAY DIFFRACTION' 10.808 41.138 158 . 10 147 99.3671  . 0.336 . . 0.337 . . . . . 0.455 . 20 . 0.923 0.883 0.321 
# 
loop_
_struct_ncs_oper.id 
_struct_ncs_oper.code 
_struct_ncs_oper.matrix[1][1] 
_struct_ncs_oper.matrix[1][2] 
_struct_ncs_oper.matrix[1][3] 
_struct_ncs_oper.vector[1] 
_struct_ncs_oper.matrix[2][1] 
_struct_ncs_oper.matrix[2][2] 
_struct_ncs_oper.matrix[2][3] 
_struct_ncs_oper.vector[2] 
_struct_ncs_oper.matrix[3][1] 
_struct_ncs_oper.matrix[3][2] 
_struct_ncs_oper.matrix[3][3] 
_struct_ncs_oper.vector[3] 
_struct_ncs_oper.details 
1 given 1        0        0         0         0         1        0        0         0         0         1       0         ? 
2 given 0.996022 -0.01874 -0.087112 -11.60816 -0.016342 -0.99947 0.028159 -13.91639 -0.087594 -0.026624 -0.9958 -34.50645 ? 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 B 
2 1 A 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . B GLY 13 B GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . A GLY 13 A GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Global NCS restraints between domains:       1       2' 
# 
_struct.entry_id                     9GQD 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog m5(2,4)-(E)' 
_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        9GQD 
_struct_keywords.text            'FKBP, Inhibitor, SAFIT, Macrocycle, Complex, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
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 1 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FKBP5_HUMAN 
_struct_ref.pdbx_db_accession          Q13451 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVA
TMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_struct_ref.pdbx_align_begin           16 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9GQD B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GQD A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GQD GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GQD ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GQD PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GQD THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GQD ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GQD ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GQD GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GQD ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GQD PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GQD THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GQD ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GQD ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 12 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E 
2 1 B,D,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
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 GLY A 1  ? GLY A 10  ? GLY B 13  GLY B 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ASN A 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P3 AA3 ILE A 75 ? ALA A 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO B 109 ALA B 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA A 14  GLY A 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS A 71  ASN A 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P8 AA8 PRO B 97 ? ALA B 100 ? PRO A 109 ALA A 112 5 ? 4  
# 
_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 LEU 107 A . ? LEU 119 B PRO 108 A ? PRO 120 B 1 -5.84 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 3.82  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 6 ? 
AA4 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? 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 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE B 67  SER B 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE B 77  SER B 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE A 67  SER A 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE A 77  SER A 80  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA1 2 3 N LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA1 3 4 N ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA1 4 5 O GLU A 119 ? O GLU B 131 N LYS A 46  ? N LYS B 58  
AA1 5 6 N GLY A 47  ? N GLY B 59  O ASP A 56  ? O ASP B 68  
AA2 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA2 2 3 N LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA2 3 4 N ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA2 4 5 O GLU A 119 ? O GLU B 131 N LYS A 46  ? N LYS B 58  
AA2 5 6 N VAL A 43  ? N VAL B 55  O PHE A 65  ? O PHE B 77  
AA3 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA3 2 3 N ARG B 27  ? N ARG A 39  O ILE B 90  ? O ILE A 102 
AA3 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA3 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA3 5 6 N GLY B 47  ? N GLY A 59  O ASP B 56  ? O ASP A 68  
AA4 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA4 2 3 N ARG B 27  ? N ARG A 39  O ILE B 90  ? O ILE A 102 
AA4 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA4 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA4 5 6 N VAL B 43  ? N VAL A 55  O PHE B 65  ? O PHE A 77  
# 
_pdbx_entry_details.entry_id                   9GQD 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 H  A ALA 14 ? ? O   A HOH 301 ? ? 1.37 
2 1 HH B TYR 57 ? ? OD2 B ASP 68  ? ? 1.58 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP B 72  ? ? -35.31  -35.03  
2 1 ASN B 74  ? ? 89.54   -52.81  
3 1 ALA B 112 ? ? -129.75 -106.93 
4 1 SER B 118 ? ? -156.65 75.19   
5 1 ASN B 125 ? ? 71.57   33.64   
6 1 ASN A 74  ? ? 100.28  -53.81  
7 1 ALA A 112 ? ? -119.84 -106.84 
8 1 SER A 118 ? ? -152.67 73.77   
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -18.4781 0.5108   -3.8249  0.0798 ? -0.0397 ? 0.0190  ? 0.0284 ? -0.0371 ? 0.2032 ? 2.7294 ? 
-1.1911 ? -0.4577 ? 3.6541 ? 0.7018  ? 2.9280 ? 0.0977 ? -0.0628 ? 0.5462  ? -0.0729 ? -0.0988 ? 0.3031 ? -0.1576 ? -0.0151 ? 
0.0011  ? 
2 'X-RAY DIFFRACTION' ? refined -10.0383 -15.0788 -29.4045 0.1741 ? 0.1016  ? -0.0095 ? 0.0639 ? -0.0138 ? 0.0599 ? 5.5147 ? 
-0.3647 ? 0.8071  ? 2.6622 ? -0.0430 ? 3.0813 ? 0.3987 ? 0.3139  ? -0.4246 ? -0.3273 ? -0.2426 ? 0.1549 ? 0.2568  ? 0.0786  ? 
-0.1561 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_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 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? B 13 ? ? ? B 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? A 13 ? ? ? A 201 ? ALL ? 
# 
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 
A1IOA C4   C Y N 1   
A1IOA C14  C N N 2   
A1IOA C5   C Y N 3   
A1IOA C6   C Y N 4   
A1IOA C11  C N N 5   
A1IOA C7   C Y N 6   
A1IOA C8   C N N 7   
A1IOA C9   C N N 8   
A1IOA C10  C N N 9   
A1IOA C12  C N N 10  
A1IOA C13  C N N 11  
A1IOA N1   N N N 12  
A1IOA C3   C Y N 13  
A1IOA C1   C N N 14  
A1IOA O1   O N N 15  
A1IOA C2   C Y N 16  
A1IOA O2   O N N 17  
A1IOA O3   O N N 18  
A1IOA O4   O N N 19  
A1IOA C15  C N N 20  
A1IOA C16  C N N 21  
A1IOA O5   O N N 22  
A1IOA C17  C N N 23  
A1IOA O6   O N N 24  
A1IOA C18  C N S 25  
A1IOA C19  C N N 26  
A1IOA C20  C N N 27  
A1IOA C21  C N N 28  
A1IOA C22  C N N 29  
A1IOA C23  C N N 30  
A1IOA O7   O N N 31  
A1IOA C24  C N S 32  
A1IOA C25  C N N 33  
A1IOA C26  C N N 34  
A1IOA C27  C N N 35  
A1IOA C28  C N N 36  
A1IOA C29  C N N 37  
A1IOA C30  C N N 38  
A1IOA H18  H N N 39  
A1IOA H5   H N N 40  
A1IOA H13  H N N 41  
A1IOA H14  H N N 42  
A1IOA H7   H N N 43  
A1IOA H8   H N N 44  
A1IOA H6   H N N 45  
A1IOA H10  H N N 46  
A1IOA H9   H N N 47  
A1IOA H11  H N N 48  
A1IOA H12  H N N 49  
A1IOA H16  H N N 50  
A1IOA H15  H N N 51  
A1IOA H17  H N N 52  
A1IOA H4   H N N 53  
A1IOA H2   H N N 54  
A1IOA H3   H N N 55  
A1IOA H1   H N N 56  
A1IOA H20  H N N 57  
A1IOA H19  H N N 58  
A1IOA H22  H N N 59  
A1IOA H21  H N N 60  
A1IOA H23  H N N 61  
A1IOA H25  H N N 62  
A1IOA H24  H N N 63  
A1IOA H26  H N N 64  
A1IOA H27  H N N 65  
A1IOA H28  H N N 66  
A1IOA H29  H N N 67  
A1IOA H30  H N N 68  
A1IOA H31  H N N 69  
A1IOA H32  H N N 70  
A1IOA H33  H N N 71  
A1IOA H35  H N N 72  
A1IOA H34  H N N 73  
A1IOA H36  H N N 74  
A1IOA H37  H N N 75  
A1IOA H38  H N N 76  
A1IOA H39  H N N 77  
A1IOA H40  H N N 78  
A1IOA H41  H N N 79  
A1IOA H43  H N N 80  
A1IOA H42  H N N 81  
ALA   N    N N N 82  
ALA   CA   C N S 83  
ALA   C    C N N 84  
ALA   O    O N N 85  
ALA   CB   C N N 86  
ALA   OXT  O N N 87  
ALA   H    H N N 88  
ALA   H2   H N N 89  
ALA   HA   H N N 90  
ALA   HB1  H N N 91  
ALA   HB2  H N N 92  
ALA   HB3  H N N 93  
ALA   HXT  H N N 94  
ARG   N    N N N 95  
ARG   CA   C N S 96  
ARG   C    C N N 97  
ARG   O    O N N 98  
ARG   CB   C N N 99  
ARG   CG   C N N 100 
ARG   CD   C N N 101 
ARG   NE   N N N 102 
ARG   CZ   C N N 103 
ARG   NH1  N N N 104 
ARG   NH2  N N N 105 
ARG   OXT  O N N 106 
ARG   H    H N N 107 
ARG   H2   H N N 108 
ARG   HA   H N N 109 
ARG   HB2  H N N 110 
ARG   HB3  H N N 111 
ARG   HG2  H N N 112 
ARG   HG3  H N N 113 
ARG   HD2  H N N 114 
ARG   HD3  H N N 115 
ARG   HE   H N N 116 
ARG   HH11 H N N 117 
ARG   HH12 H N N 118 
ARG   HH21 H N N 119 
ARG   HH22 H N N 120 
ARG   HXT  H N N 121 
ASN   N    N N N 122 
ASN   CA   C N S 123 
ASN   C    C N N 124 
ASN   O    O N N 125 
ASN   CB   C N N 126 
ASN   CG   C N N 127 
ASN   OD1  O N N 128 
ASN   ND2  N N N 129 
ASN   OXT  O N N 130 
ASN   H    H N N 131 
ASN   H2   H N N 132 
ASN   HA   H N N 133 
ASN   HB2  H N N 134 
ASN   HB3  H N N 135 
ASN   HD21 H N N 136 
ASN   HD22 H N N 137 
ASN   HXT  H N N 138 
ASP   N    N N N 139 
ASP   CA   C N S 140 
ASP   C    C N N 141 
ASP   O    O N N 142 
ASP   CB   C N N 143 
ASP   CG   C N N 144 
ASP   OD1  O N N 145 
ASP   OD2  O N N 146 
ASP   OXT  O N N 147 
ASP   H    H N N 148 
ASP   H2   H N N 149 
ASP   HA   H N N 150 
ASP   HB2  H N N 151 
ASP   HB3  H N N 152 
ASP   HD2  H N N 153 
ASP   HXT  H N N 154 
CYS   N    N N N 155 
CYS   CA   C N R 156 
CYS   C    C N N 157 
CYS   O    O N N 158 
CYS   CB   C N N 159 
CYS   SG   S N N 160 
CYS   OXT  O N N 161 
CYS   H    H N N 162 
CYS   H2   H N N 163 
CYS   HA   H N N 164 
CYS   HB2  H N N 165 
CYS   HB3  H N N 166 
CYS   HG   H N N 167 
CYS   HXT  H N N 168 
GLN   N    N N N 169 
GLN   CA   C N S 170 
GLN   C    C N N 171 
GLN   O    O N N 172 
GLN   CB   C N N 173 
GLN   CG   C N N 174 
GLN   CD   C N N 175 
GLN   OE1  O N N 176 
GLN   NE2  N N N 177 
GLN   OXT  O N N 178 
GLN   H    H N N 179 
GLN   H2   H N N 180 
GLN   HA   H N N 181 
GLN   HB2  H N N 182 
GLN   HB3  H N N 183 
GLN   HG2  H N N 184 
GLN   HG3  H N N 185 
GLN   HE21 H N N 186 
GLN   HE22 H N N 187 
GLN   HXT  H N N 188 
GLU   N    N N N 189 
GLU   CA   C N S 190 
GLU   C    C N N 191 
GLU   O    O N N 192 
GLU   CB   C N N 193 
GLU   CG   C N N 194 
GLU   CD   C N N 195 
GLU   OE1  O N N 196 
GLU   OE2  O N N 197 
GLU   OXT  O N N 198 
GLU   H    H N N 199 
GLU   H2   H N N 200 
GLU   HA   H N N 201 
GLU   HB2  H N N 202 
GLU   HB3  H N N 203 
GLU   HG2  H N N 204 
GLU   HG3  H N N 205 
GLU   HE2  H N N 206 
GLU   HXT  H N N 207 
GLY   N    N N N 208 
GLY   CA   C N N 209 
GLY   C    C N N 210 
GLY   O    O N N 211 
GLY   OXT  O N N 212 
GLY   H    H N N 213 
GLY   H2   H N N 214 
GLY   HA2  H N N 215 
GLY   HA3  H N N 216 
GLY   HXT  H N N 217 
HIS   N    N N N 218 
HIS   CA   C N S 219 
HIS   C    C N N 220 
HIS   O    O N N 221 
HIS   CB   C N N 222 
HIS   CG   C Y N 223 
HIS   ND1  N Y N 224 
HIS   CD2  C Y N 225 
HIS   CE1  C Y N 226 
HIS   NE2  N Y N 227 
HIS   OXT  O N N 228 
HIS   H    H N N 229 
HIS   H2   H N N 230 
HIS   HA   H N N 231 
HIS   HB2  H N N 232 
HIS   HB3  H N N 233 
HIS   HD1  H N N 234 
HIS   HD2  H N N 235 
HIS   HE1  H N N 236 
HIS   HE2  H N N 237 
HIS   HXT  H N N 238 
HOH   O    O N N 239 
HOH   H1   H N N 240 
HOH   H2   H N N 241 
ILE   N    N N N 242 
ILE   CA   C N S 243 
ILE   C    C N N 244 
ILE   O    O N N 245 
ILE   CB   C N S 246 
ILE   CG1  C N N 247 
ILE   CG2  C N N 248 
ILE   CD1  C N N 249 
ILE   OXT  O N N 250 
ILE   H    H N N 251 
ILE   H2   H N N 252 
ILE   HA   H N N 253 
ILE   HB   H N N 254 
ILE   HG12 H N N 255 
ILE   HG13 H N N 256 
ILE   HG21 H N N 257 
ILE   HG22 H N N 258 
ILE   HG23 H N N 259 
ILE   HD11 H N N 260 
ILE   HD12 H N N 261 
ILE   HD13 H N N 262 
ILE   HXT  H N N 263 
LEU   N    N N N 264 
LEU   CA   C N S 265 
LEU   C    C N N 266 
LEU   O    O N N 267 
LEU   CB   C N N 268 
LEU   CG   C N N 269 
LEU   CD1  C N N 270 
LEU   CD2  C N N 271 
LEU   OXT  O N N 272 
LEU   H    H N N 273 
LEU   H2   H N N 274 
LEU   HA   H N N 275 
LEU   HB2  H N N 276 
LEU   HB3  H N N 277 
LEU   HG   H N N 278 
LEU   HD11 H N N 279 
LEU   HD12 H N N 280 
LEU   HD13 H N N 281 
LEU   HD21 H N N 282 
LEU   HD22 H N N 283 
LEU   HD23 H N N 284 
LEU   HXT  H N N 285 
LYS   N    N N N 286 
LYS   CA   C N S 287 
LYS   C    C N N 288 
LYS   O    O N N 289 
LYS   CB   C N N 290 
LYS   CG   C N N 291 
LYS   CD   C N N 292 
LYS   CE   C N N 293 
LYS   NZ   N N N 294 
LYS   OXT  O N N 295 
LYS   H    H N N 296 
LYS   H2   H N N 297 
LYS   HA   H N N 298 
LYS   HB2  H N N 299 
LYS   HB3  H N N 300 
LYS   HG2  H N N 301 
LYS   HG3  H N N 302 
LYS   HD2  H N N 303 
LYS   HD3  H N N 304 
LYS   HE2  H N N 305 
LYS   HE3  H N N 306 
LYS   HZ1  H N N 307 
LYS   HZ2  H N N 308 
LYS   HZ3  H N N 309 
LYS   HXT  H N N 310 
MET   N    N N N 311 
MET   CA   C N S 312 
MET   C    C N N 313 
MET   O    O N N 314 
MET   CB   C N N 315 
MET   CG   C N N 316 
MET   SD   S N N 317 
MET   CE   C N N 318 
MET   OXT  O N N 319 
MET   H    H N N 320 
MET   H2   H N N 321 
MET   HA   H N N 322 
MET   HB2  H N N 323 
MET   HB3  H N N 324 
MET   HG2  H N N 325 
MET   HG3  H N N 326 
MET   HE1  H N N 327 
MET   HE2  H N N 328 
MET   HE3  H N N 329 
MET   HXT  H N N 330 
PHE   N    N N N 331 
PHE   CA   C N S 332 
PHE   C    C N N 333 
PHE   O    O N N 334 
PHE   CB   C N N 335 
PHE   CG   C Y N 336 
PHE   CD1  C Y N 337 
PHE   CD2  C Y N 338 
PHE   CE1  C Y N 339 
PHE   CE2  C Y N 340 
PHE   CZ   C Y N 341 
PHE   OXT  O N N 342 
PHE   H    H N N 343 
PHE   H2   H N N 344 
PHE   HA   H N N 345 
PHE   HB2  H N N 346 
PHE   HB3  H N N 347 
PHE   HD1  H N N 348 
PHE   HD2  H N N 349 
PHE   HE1  H N N 350 
PHE   HE2  H N N 351 
PHE   HZ   H N N 352 
PHE   HXT  H N N 353 
PRO   N    N N N 354 
PRO   CA   C N S 355 
PRO   C    C N N 356 
PRO   O    O N N 357 
PRO   CB   C N N 358 
PRO   CG   C N N 359 
PRO   CD   C N N 360 
PRO   OXT  O N N 361 
PRO   H    H N N 362 
PRO   HA   H N N 363 
PRO   HB2  H N N 364 
PRO   HB3  H N N 365 
PRO   HG2  H N N 366 
PRO   HG3  H N N 367 
PRO   HD2  H N N 368 
PRO   HD3  H N N 369 
PRO   HXT  H N N 370 
SER   N    N N N 371 
SER   CA   C N S 372 
SER   C    C N N 373 
SER   O    O N N 374 
SER   CB   C N N 375 
SER   OG   O N N 376 
SER   OXT  O N N 377 
SER   H    H N N 378 
SER   H2   H N N 379 
SER   HA   H N N 380 
SER   HB2  H N N 381 
SER   HB3  H N N 382 
SER   HG   H N N 383 
SER   HXT  H N N 384 
THR   N    N N N 385 
THR   CA   C N S 386 
THR   C    C N N 387 
THR   O    O N N 388 
THR   CB   C N R 389 
THR   OG1  O N N 390 
THR   CG2  C N N 391 
THR   OXT  O N N 392 
THR   H    H N N 393 
THR   H2   H N N 394 
THR   HA   H N N 395 
THR   HB   H N N 396 
THR   HG1  H N N 397 
THR   HG21 H N N 398 
THR   HG22 H N N 399 
THR   HG23 H N N 400 
THR   HXT  H N N 401 
TRP   N    N N N 402 
TRP   CA   C N S 403 
TRP   C    C N N 404 
TRP   O    O N N 405 
TRP   CB   C N N 406 
TRP   CG   C Y N 407 
TRP   CD1  C Y N 408 
TRP   CD2  C Y N 409 
TRP   NE1  N Y N 410 
TRP   CE2  C Y N 411 
TRP   CE3  C Y N 412 
TRP   CZ2  C Y N 413 
TRP   CZ3  C Y N 414 
TRP   CH2  C Y N 415 
TRP   OXT  O N N 416 
TRP   H    H N N 417 
TRP   H2   H N N 418 
TRP   HA   H N N 419 
TRP   HB2  H N N 420 
TRP   HB3  H N N 421 
TRP   HD1  H N N 422 
TRP   HE1  H N N 423 
TRP   HE3  H N N 424 
TRP   HZ2  H N N 425 
TRP   HZ3  H N N 426 
TRP   HH2  H N N 427 
TRP   HXT  H N N 428 
TYR   N    N N N 429 
TYR   CA   C N S 430 
TYR   C    C N N 431 
TYR   O    O N N 432 
TYR   CB   C N N 433 
TYR   CG   C Y N 434 
TYR   CD1  C Y N 435 
TYR   CD2  C Y N 436 
TYR   CE1  C Y N 437 
TYR   CE2  C Y N 438 
TYR   CZ   C Y N 439 
TYR   OH   O N N 440 
TYR   OXT  O N N 441 
TYR   H    H N N 442 
TYR   H2   H N N 443 
TYR   HA   H N N 444 
TYR   HB2  H N N 445 
TYR   HB3  H N N 446 
TYR   HD1  H N N 447 
TYR   HD2  H N N 448 
TYR   HE1  H N N 449 
TYR   HE2  H N N 450 
TYR   HH   H N N 451 
TYR   HXT  H N N 452 
VAL   N    N N N 453 
VAL   CA   C N S 454 
VAL   C    C N N 455 
VAL   O    O N N 456 
VAL   CB   C N N 457 
VAL   CG1  C N N 458 
VAL   CG2  C N N 459 
VAL   OXT  O N N 460 
VAL   H    H N N 461 
VAL   H2   H N N 462 
VAL   HA   H N N 463 
VAL   HB   H N N 464 
VAL   HG11 H N N 465 
VAL   HG12 H N N 466 
VAL   HG13 H N N 467 
VAL   HG21 H N N 468 
VAL   HG22 H N N 469 
VAL   HG23 H N N 470 
VAL   HXT  H N N 471 
# 
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 
A1IOA C27 C26  sing N N 1   
A1IOA C27 C28  sing N N 2   
A1IOA C19 C20  sing N N 3   
A1IOA C19 C18  sing N N 4   
A1IOA C26 C25  sing N N 5   
A1IOA C20 C21  sing N N 6   
A1IOA C28 C29  sing N N 7   
A1IOA C21 C22  sing N N 8   
A1IOA C18 N1   sing N N 9   
A1IOA C18 C17  sing N N 10  
A1IOA O7  C23  doub N N 11  
A1IOA N1  C23  sing N N 12  
A1IOA N1  C22  sing N N 13  
A1IOA C23 C24  sing N N 14  
A1IOA C25 C24  sing N N 15  
A1IOA C25 C30  sing N N 16  
A1IOA C29 C30  sing N N 17  
A1IOA O6  C17  doub N N 18  
A1IOA C24 C4   sing N N 19  
A1IOA C17 O5   sing N N 20  
A1IOA O5  C16  sing N N 21  
A1IOA C4  C5   doub Y N 22  
A1IOA C4  C3   sing Y N 23  
A1IOA C5  C6   sing Y N 24  
A1IOA C3  C2   doub Y N 25  
A1IOA C16 C15  sing N N 26  
A1IOA C15 C14  sing N N 27  
A1IOA C10 C9   sing N N 28  
A1IOA C10 C11  sing N N 29  
A1IOA C13 C14  doub N E 30  
A1IOA C13 C12  sing N N 31  
A1IOA O4  C12  sing N N 32  
A1IOA O4  C11  sing N N 33  
A1IOA C6  C7   doub Y N 34  
A1IOA C6  O3   sing N N 35  
A1IOA C2  C7   sing Y N 36  
A1IOA C2  O1   sing N N 37  
A1IOA C9  O3   sing N N 38  
A1IOA C1  O1   sing N N 39  
A1IOA C7  O2   sing N N 40  
A1IOA O2  C8   sing N N 41  
A1IOA C14 H18  sing N N 42  
A1IOA C5  H5   sing N N 43  
A1IOA C11 H13  sing N N 44  
A1IOA C11 H14  sing N N 45  
A1IOA C8  H7   sing N N 46  
A1IOA C8  H8   sing N N 47  
A1IOA C8  H6   sing N N 48  
A1IOA C9  H10  sing N N 49  
A1IOA C9  H9   sing N N 50  
A1IOA C10 H11  sing N N 51  
A1IOA C10 H12  sing N N 52  
A1IOA C12 H16  sing N N 53  
A1IOA C12 H15  sing N N 54  
A1IOA C13 H17  sing N N 55  
A1IOA C3  H4   sing N N 56  
A1IOA C1  H2   sing N N 57  
A1IOA C1  H3   sing N N 58  
A1IOA C1  H1   sing N N 59  
A1IOA C15 H20  sing N N 60  
A1IOA C15 H19  sing N N 61  
A1IOA C16 H22  sing N N 62  
A1IOA C16 H21  sing N N 63  
A1IOA C18 H23  sing N N 64  
A1IOA C19 H25  sing N N 65  
A1IOA C19 H24  sing N N 66  
A1IOA C20 H26  sing N N 67  
A1IOA C20 H27  sing N N 68  
A1IOA C21 H28  sing N N 69  
A1IOA C21 H29  sing N N 70  
A1IOA C22 H30  sing N N 71  
A1IOA C22 H31  sing N N 72  
A1IOA C24 H32  sing N N 73  
A1IOA C25 H33  sing N N 74  
A1IOA C26 H35  sing N N 75  
A1IOA C26 H34  sing N N 76  
A1IOA C27 H36  sing N N 77  
A1IOA C27 H37  sing N N 78  
A1IOA C28 H38  sing N N 79  
A1IOA C28 H39  sing N N 80  
A1IOA C29 H40  sing N N 81  
A1IOA C29 H41  sing N N 82  
A1IOA C30 H43  sing N N 83  
A1IOA C30 H42  sing N N 84  
ALA   N   CA   sing N N 85  
ALA   N   H    sing N N 86  
ALA   N   H2   sing N N 87  
ALA   CA  C    sing N N 88  
ALA   CA  CB   sing N N 89  
ALA   CA  HA   sing N N 90  
ALA   C   O    doub N N 91  
ALA   C   OXT  sing N N 92  
ALA   CB  HB1  sing N N 93  
ALA   CB  HB2  sing N N 94  
ALA   CB  HB3  sing N N 95  
ALA   OXT HXT  sing N N 96  
ARG   N   CA   sing N N 97  
ARG   N   H    sing N N 98  
ARG   N   H2   sing N N 99  
ARG   CA  C    sing N N 100 
ARG   CA  CB   sing N N 101 
ARG   CA  HA   sing N N 102 
ARG   C   O    doub N N 103 
ARG   C   OXT  sing N N 104 
ARG   CB  CG   sing N N 105 
ARG   CB  HB2  sing N N 106 
ARG   CB  HB3  sing N N 107 
ARG   CG  CD   sing N N 108 
ARG   CG  HG2  sing N N 109 
ARG   CG  HG3  sing N N 110 
ARG   CD  NE   sing N N 111 
ARG   CD  HD2  sing N N 112 
ARG   CD  HD3  sing N N 113 
ARG   NE  CZ   sing N N 114 
ARG   NE  HE   sing N N 115 
ARG   CZ  NH1  sing N N 116 
ARG   CZ  NH2  doub N N 117 
ARG   NH1 HH11 sing N N 118 
ARG   NH1 HH12 sing N N 119 
ARG   NH2 HH21 sing N N 120 
ARG   NH2 HH22 sing N N 121 
ARG   OXT HXT  sing N N 122 
ASN   N   CA   sing N N 123 
ASN   N   H    sing N N 124 
ASN   N   H2   sing N N 125 
ASN   CA  C    sing N N 126 
ASN   CA  CB   sing N N 127 
ASN   CA  HA   sing N N 128 
ASN   C   O    doub N N 129 
ASN   C   OXT  sing N N 130 
ASN   CB  CG   sing N N 131 
ASN   CB  HB2  sing N N 132 
ASN   CB  HB3  sing N N 133 
ASN   CG  OD1  doub N N 134 
ASN   CG  ND2  sing N N 135 
ASN   ND2 HD21 sing N N 136 
ASN   ND2 HD22 sing N N 137 
ASN   OXT HXT  sing N N 138 
ASP   N   CA   sing N N 139 
ASP   N   H    sing N N 140 
ASP   N   H2   sing N N 141 
ASP   CA  C    sing N N 142 
ASP   CA  CB   sing N N 143 
ASP   CA  HA   sing N N 144 
ASP   C   O    doub N N 145 
ASP   C   OXT  sing N N 146 
ASP   CB  CG   sing N N 147 
ASP   CB  HB2  sing N N 148 
ASP   CB  HB3  sing N N 149 
ASP   CG  OD1  doub N N 150 
ASP   CG  OD2  sing N N 151 
ASP   OD2 HD2  sing N N 152 
ASP   OXT HXT  sing N N 153 
CYS   N   CA   sing N N 154 
CYS   N   H    sing N N 155 
CYS   N   H2   sing N N 156 
CYS   CA  C    sing N N 157 
CYS   CA  CB   sing N N 158 
CYS   CA  HA   sing N N 159 
CYS   C   O    doub N N 160 
CYS   C   OXT  sing N N 161 
CYS   CB  SG   sing N N 162 
CYS   CB  HB2  sing N N 163 
CYS   CB  HB3  sing N N 164 
CYS   SG  HG   sing N N 165 
CYS   OXT HXT  sing N N 166 
GLN   N   CA   sing N N 167 
GLN   N   H    sing N N 168 
GLN   N   H2   sing N N 169 
GLN   CA  C    sing N N 170 
GLN   CA  CB   sing N N 171 
GLN   CA  HA   sing N N 172 
GLN   C   O    doub N N 173 
GLN   C   OXT  sing N N 174 
GLN   CB  CG   sing N N 175 
GLN   CB  HB2  sing N N 176 
GLN   CB  HB3  sing N N 177 
GLN   CG  CD   sing N N 178 
GLN   CG  HG2  sing N N 179 
GLN   CG  HG3  sing N N 180 
GLN   CD  OE1  doub N N 181 
GLN   CD  NE2  sing N N 182 
GLN   NE2 HE21 sing N N 183 
GLN   NE2 HE22 sing N N 184 
GLN   OXT HXT  sing N N 185 
GLU   N   CA   sing N N 186 
GLU   N   H    sing N N 187 
GLU   N   H2   sing N N 188 
GLU   CA  C    sing N N 189 
GLU   CA  CB   sing N N 190 
GLU   CA  HA   sing N N 191 
GLU   C   O    doub N N 192 
GLU   C   OXT  sing N N 193 
GLU   CB  CG   sing N N 194 
GLU   CB  HB2  sing N N 195 
GLU   CB  HB3  sing N N 196 
GLU   CG  CD   sing N N 197 
GLU   CG  HG2  sing N N 198 
GLU   CG  HG3  sing N N 199 
GLU   CD  OE1  doub N N 200 
GLU   CD  OE2  sing N N 201 
GLU   OE2 HE2  sing N N 202 
GLU   OXT HXT  sing N N 203 
GLY   N   CA   sing N N 204 
GLY   N   H    sing N N 205 
GLY   N   H2   sing N N 206 
GLY   CA  C    sing N N 207 
GLY   CA  HA2  sing N N 208 
GLY   CA  HA3  sing N N 209 
GLY   C   O    doub N N 210 
GLY   C   OXT  sing N N 211 
GLY   OXT HXT  sing N N 212 
HIS   N   CA   sing N N 213 
HIS   N   H    sing N N 214 
HIS   N   H2   sing N N 215 
HIS   CA  C    sing N N 216 
HIS   CA  CB   sing N N 217 
HIS   CA  HA   sing N N 218 
HIS   C   O    doub N N 219 
HIS   C   OXT  sing N N 220 
HIS   CB  CG   sing N N 221 
HIS   CB  HB2  sing N N 222 
HIS   CB  HB3  sing N N 223 
HIS   CG  ND1  sing Y N 224 
HIS   CG  CD2  doub Y N 225 
HIS   ND1 CE1  doub Y N 226 
HIS   ND1 HD1  sing N N 227 
HIS   CD2 NE2  sing Y N 228 
HIS   CD2 HD2  sing N N 229 
HIS   CE1 NE2  sing Y N 230 
HIS   CE1 HE1  sing N N 231 
HIS   NE2 HE2  sing N N 232 
HIS   OXT HXT  sing N N 233 
HOH   O   H1   sing N N 234 
HOH   O   H2   sing N N 235 
ILE   N   CA   sing N N 236 
ILE   N   H    sing N N 237 
ILE   N   H2   sing N N 238 
ILE   CA  C    sing N N 239 
ILE   CA  CB   sing N N 240 
ILE   CA  HA   sing N N 241 
ILE   C   O    doub N N 242 
ILE   C   OXT  sing N N 243 
ILE   CB  CG1  sing N N 244 
ILE   CB  CG2  sing N N 245 
ILE   CB  HB   sing N N 246 
ILE   CG1 CD1  sing N N 247 
ILE   CG1 HG12 sing N N 248 
ILE   CG1 HG13 sing N N 249 
ILE   CG2 HG21 sing N N 250 
ILE   CG2 HG22 sing N N 251 
ILE   CG2 HG23 sing N N 252 
ILE   CD1 HD11 sing N N 253 
ILE   CD1 HD12 sing N N 254 
ILE   CD1 HD13 sing N N 255 
ILE   OXT HXT  sing N N 256 
LEU   N   CA   sing N N 257 
LEU   N   H    sing N N 258 
LEU   N   H2   sing N N 259 
LEU   CA  C    sing N N 260 
LEU   CA  CB   sing N N 261 
LEU   CA  HA   sing N N 262 
LEU   C   O    doub N N 263 
LEU   C   OXT  sing N N 264 
LEU   CB  CG   sing N N 265 
LEU   CB  HB2  sing N N 266 
LEU   CB  HB3  sing N N 267 
LEU   CG  CD1  sing N N 268 
LEU   CG  CD2  sing N N 269 
LEU   CG  HG   sing N N 270 
LEU   CD1 HD11 sing N N 271 
LEU   CD1 HD12 sing N N 272 
LEU   CD1 HD13 sing N N 273 
LEU   CD2 HD21 sing N N 274 
LEU   CD2 HD22 sing N N 275 
LEU   CD2 HD23 sing N N 276 
LEU   OXT HXT  sing N N 277 
LYS   N   CA   sing N N 278 
LYS   N   H    sing N N 279 
LYS   N   H2   sing N N 280 
LYS   CA  C    sing N N 281 
LYS   CA  CB   sing N N 282 
LYS   CA  HA   sing N N 283 
LYS   C   O    doub N N 284 
LYS   C   OXT  sing N N 285 
LYS   CB  CG   sing N N 286 
LYS   CB  HB2  sing N N 287 
LYS   CB  HB3  sing N N 288 
LYS   CG  CD   sing N N 289 
LYS   CG  HG2  sing N N 290 
LYS   CG  HG3  sing N N 291 
LYS   CD  CE   sing N N 292 
LYS   CD  HD2  sing N N 293 
LYS   CD  HD3  sing N N 294 
LYS   CE  NZ   sing N N 295 
LYS   CE  HE2  sing N N 296 
LYS   CE  HE3  sing N N 297 
LYS   NZ  HZ1  sing N N 298 
LYS   NZ  HZ2  sing N N 299 
LYS   NZ  HZ3  sing N N 300 
LYS   OXT HXT  sing N N 301 
MET   N   CA   sing N N 302 
MET   N   H    sing N N 303 
MET   N   H2   sing N N 304 
MET   CA  C    sing N N 305 
MET   CA  CB   sing N N 306 
MET   CA  HA   sing N N 307 
MET   C   O    doub N N 308 
MET   C   OXT  sing N N 309 
MET   CB  CG   sing N N 310 
MET   CB  HB2  sing N N 311 
MET   CB  HB3  sing N N 312 
MET   CG  SD   sing N N 313 
MET   CG  HG2  sing N N 314 
MET   CG  HG3  sing N N 315 
MET   SD  CE   sing N N 316 
MET   CE  HE1  sing N N 317 
MET   CE  HE2  sing N N 318 
MET   CE  HE3  sing N N 319 
MET   OXT HXT  sing N N 320 
PHE   N   CA   sing N N 321 
PHE   N   H    sing N N 322 
PHE   N   H2   sing N N 323 
PHE   CA  C    sing N N 324 
PHE   CA  CB   sing N N 325 
PHE   CA  HA   sing N N 326 
PHE   C   O    doub N N 327 
PHE   C   OXT  sing N N 328 
PHE   CB  CG   sing N N 329 
PHE   CB  HB2  sing N N 330 
PHE   CB  HB3  sing N N 331 
PHE   CG  CD1  doub Y N 332 
PHE   CG  CD2  sing Y N 333 
PHE   CD1 CE1  sing Y N 334 
PHE   CD1 HD1  sing N N 335 
PHE   CD2 CE2  doub Y N 336 
PHE   CD2 HD2  sing N N 337 
PHE   CE1 CZ   doub Y N 338 
PHE   CE1 HE1  sing N N 339 
PHE   CE2 CZ   sing Y N 340 
PHE   CE2 HE2  sing N N 341 
PHE   CZ  HZ   sing N N 342 
PHE   OXT HXT  sing N N 343 
PRO   N   CA   sing N N 344 
PRO   N   CD   sing N N 345 
PRO   N   H    sing N N 346 
PRO   CA  C    sing N N 347 
PRO   CA  CB   sing N N 348 
PRO   CA  HA   sing N N 349 
PRO   C   O    doub N N 350 
PRO   C   OXT  sing N N 351 
PRO   CB  CG   sing N N 352 
PRO   CB  HB2  sing N N 353 
PRO   CB  HB3  sing N N 354 
PRO   CG  CD   sing N N 355 
PRO   CG  HG2  sing N N 356 
PRO   CG  HG3  sing N N 357 
PRO   CD  HD2  sing N N 358 
PRO   CD  HD3  sing N N 359 
PRO   OXT HXT  sing N N 360 
SER   N   CA   sing N N 361 
SER   N   H    sing N N 362 
SER   N   H2   sing N N 363 
SER   CA  C    sing N N 364 
SER   CA  CB   sing N N 365 
SER   CA  HA   sing N N 366 
SER   C   O    doub N N 367 
SER   C   OXT  sing N N 368 
SER   CB  OG   sing N N 369 
SER   CB  HB2  sing N N 370 
SER   CB  HB3  sing N N 371 
SER   OG  HG   sing N N 372 
SER   OXT HXT  sing N N 373 
THR   N   CA   sing N N 374 
THR   N   H    sing N N 375 
THR   N   H2   sing N N 376 
THR   CA  C    sing N N 377 
THR   CA  CB   sing N N 378 
THR   CA  HA   sing N N 379 
THR   C   O    doub N N 380 
THR   C   OXT  sing N N 381 
THR   CB  OG1  sing N N 382 
THR   CB  CG2  sing N N 383 
THR   CB  HB   sing N N 384 
THR   OG1 HG1  sing N N 385 
THR   CG2 HG21 sing N N 386 
THR   CG2 HG22 sing N N 387 
THR   CG2 HG23 sing N N 388 
THR   OXT HXT  sing N N 389 
TRP   N   CA   sing N N 390 
TRP   N   H    sing N N 391 
TRP   N   H2   sing N N 392 
TRP   CA  C    sing N N 393 
TRP   CA  CB   sing N N 394 
TRP   CA  HA   sing N N 395 
TRP   C   O    doub N N 396 
TRP   C   OXT  sing N N 397 
TRP   CB  CG   sing N N 398 
TRP   CB  HB2  sing N N 399 
TRP   CB  HB3  sing N N 400 
TRP   CG  CD1  doub Y N 401 
TRP   CG  CD2  sing Y N 402 
TRP   CD1 NE1  sing Y N 403 
TRP   CD1 HD1  sing N N 404 
TRP   CD2 CE2  doub Y N 405 
TRP   CD2 CE3  sing Y N 406 
TRP   NE1 CE2  sing Y N 407 
TRP   NE1 HE1  sing N N 408 
TRP   CE2 CZ2  sing Y N 409 
TRP   CE3 CZ3  doub Y N 410 
TRP   CE3 HE3  sing N N 411 
TRP   CZ2 CH2  doub Y N 412 
TRP   CZ2 HZ2  sing N N 413 
TRP   CZ3 CH2  sing Y N 414 
TRP   CZ3 HZ3  sing N N 415 
TRP   CH2 HH2  sing N N 416 
TRP   OXT HXT  sing N N 417 
TYR   N   CA   sing N N 418 
TYR   N   H    sing N N 419 
TYR   N   H2   sing N N 420 
TYR   CA  C    sing N N 421 
TYR   CA  CB   sing N N 422 
TYR   CA  HA   sing N N 423 
TYR   C   O    doub N N 424 
TYR   C   OXT  sing N N 425 
TYR   CB  CG   sing N N 426 
TYR   CB  HB2  sing N N 427 
TYR   CB  HB3  sing N N 428 
TYR   CG  CD1  doub Y N 429 
TYR   CG  CD2  sing Y N 430 
TYR   CD1 CE1  sing Y N 431 
TYR   CD1 HD1  sing N N 432 
TYR   CD2 CE2  doub Y N 433 
TYR   CD2 HD2  sing N N 434 
TYR   CE1 CZ   doub Y N 435 
TYR   CE1 HE1  sing N N 436 
TYR   CE2 CZ   sing Y N 437 
TYR   CE2 HE2  sing N N 438 
TYR   CZ  OH   sing N N 439 
TYR   OH  HH   sing N N 440 
TYR   OXT HXT  sing N N 441 
VAL   N   CA   sing N N 442 
VAL   N   H    sing N N 443 
VAL   N   H2   sing N N 444 
VAL   CA  C    sing N N 445 
VAL   CA  CB   sing N N 446 
VAL   CA  HA   sing N N 447 
VAL   C   O    doub N N 448 
VAL   C   OXT  sing N N 449 
VAL   CB  CG1  sing N N 450 
VAL   CB  CG2  sing N N 451 
VAL   CB  HB   sing N N 452 
VAL   CG1 HG11 sing N N 453 
VAL   CG1 HG12 sing N N 454 
VAL   CG1 HG13 sing N N 455 
VAL   CG2 HG21 sing N N 456 
VAL   CG2 HG22 sing N N 457 
VAL   CG2 HG23 sing N N 458 
VAL   OXT HXT  sing N N 459 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Federal Ministry for Education and Research' Germany 03VP08671 1 
'German Research Foundation (DFG)'                   Germany 525512762 2 
# 
_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   4TW7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GQD 
_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]   0.020594 
_atom_sites.fract_transf_matrix[1][2]   0.011890 
_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]   0.023779 
_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]   0.005141 
_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   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0316   
# 
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    . GLY   A 1 1   ? -2.781  5.234   3.666   1 49.658 ? 13  GLY   B N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? -3.989  5.717   2.972   1 46.45  ? 13  GLY   B CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? -5.257  4.965   3.363   1 45.307 ? 13  GLY   B C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? -5.253  3.933   4.022   1 47.018 ? 13  GLY   B O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? -2.064  5.727   3.418   1 50.733 ? 13  GLY   B H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? -2.63   4.367   3.456   1 48.14  ? 13  GLY   B H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? -2.89   5.305   4.562   1 49.871 ? 13  GLY   B H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? -4.106  6.675   3.173   1 48.366 ? 13  GLY   B HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? -3.849  5.631   2       1 46.486 ? 13  GLY   B HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? -6.371  5.503   2.895   1 44.758 ? 14  ALA   B N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? -7.665  4.899   3.088   1 43.511 ? 14  ALA   B CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? -7.681  3.421   2.672   1 42.727 ? 14  ALA   B C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -8.35   2.608   3.3     1 43.895 ? 14  ALA   B O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -8.636  5.723   2.28    1 43.38  ? 14  ALA   B CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? -6.32   6.29    2.431   1 45.568 ? 14  ALA   B H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -7.902  4.959   4.054   1 44.227 ? 14  ALA   B HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -8.662  6.63    2.627   1 44.624 ? 14  ALA   B HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -8.357  5.743   1.35    1 42.997 ? 14  ALA   B HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -9.524  5.332   2.339   1 42.068 ? 14  ALA   B HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? -7.053  3.005   1.552   1 40.671 ? 15  PRO   B N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? -7.133  1.602   1.144   1 39.188 ? 15  PRO   B CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? -6.543  0.623   2.171   1 38.515 ? 15  PRO   B C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? -7.147  -0.404  2.485   1 36.298 ? 15  PRO   B O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? -6.413  1.553   -0.191  1 37.531 ? 15  PRO   B CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? -6.289  3.002   -0.623  1 40.121 ? 15  PRO   B CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? -6.29   3.843   0.615   1 41.726 ? 15  PRO   B CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -8.073  1.371   0.995   1 37.516 ? 15  PRO   B HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? -5.53   1.144   -0.096  1 38.773 ? 15  PRO   B HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? -6.927  1.039   -0.844  1 36.921 ? 15  PRO   B HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? -5.46   3.14    -1.122  1 40.77  ? 15  PRO   B HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? -7.04   3.251   -1.199  1 39.177 ? 15  PRO   B HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? -5.383  3.997   0.94    1 43.101 ? 15  PRO   B HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? -6.733  4.698   0.464   1 42.184 ? 15  PRO   B HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? -5.369  0.965   2.713   1 39.663 ? 16  ALA   B N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? -4.771  0.235   3.831   1 38.331 ? 16  ALA   B CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? -5.701  0.223   5.06    1 36.009 ? 16  ALA   B C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? -5.946  -0.836  5.625   1 35.867 ? 16  ALA   B O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? -3.393  0.812   4.144   1 38.514 ? 16  ALA   B CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? -4.917  1.681   2.37    1 40.22  ? 16  ALA   B H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? -4.652  -0.711  3.539   1 37.014 ? 16  ALA   B HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? -2.825  0.748   3.358   1 39.221 ? 16  ALA   B HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? -3.481  1.746   4.401   1 40.144 ? 16  ALA   B HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? -2.989  0.315   4.874   1 40.011 ? 16  ALA   B HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? -6.26   1.372   5.459   1 33.937 ? 17  THR   B N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? -7.177  1.401   6.585   1 34.07  ? 17  THR   B CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -8.28   0.351   6.404   1 32.084 ? 17  THR   B C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -8.582  -0.374  7.352   1 32.035 ? 17  THR   B O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -7.69   2.828   6.823   1 34.96  ? 17  THR   B CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? -6.543  3.626   7.145   1 36.553 ? 17  THR   B OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -8.641  2.97    8.003   1 35.009 ? 17  THR   B CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? -6.065  2.151   5.022   1 35.031 ? 17  THR   B H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? -6.66   1.145   7.38    1 35.332 ? 17  THR   B HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -8.117  3.177   6.005   1 33.76  ? 17  THR   B HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? -6.15   3.308   7.807   0 30     ? 17  THR   B HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -8.814  3.912   8.169   1 36.15  ? 17  THR   B HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -8.24   2.571   8.793   1 36.206 ? 17  THR   B HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -9.478  2.519   7.802   1 33.841 ? 17  THR   B HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -8.821  0.206   5.181   1 30.524 ? 18  VAL   B N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -9.911  -0.74   4.918   1 29.902 ? 18  VAL   B CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -9.459  -2.204  4.992   1 27.31  ? 18  VAL   B C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -10.258 -3.028  5.411   1 26.621 ? 18  VAL   B O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -10.614 -0.54   3.563   1 31.174 ? 18  VAL   B CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -11.627 -1.648  3.247   1 28.965 ? 18  VAL   B CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -11.252 0.838   3.492   1 33.687 ? 18  VAL   B CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -8.508  0.715   4.489   1 30.691 ? 18  VAL   B H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -10.582 -0.607  5.615   1 30.074 ? 18  VAL   B HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -9.914  -0.576  2.87    1 30.677 ? 18  VAL   B HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -12.135 -1.863  4.047   1 29.486 ? 18  VAL   B HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -11.158 -2.44   2.937   1 28.727 ? 18  VAL   B HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -12.235 -1.342  2.553   1 28.588 ? 18  VAL   B HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -11.659 0.963   2.618   1 32.289 ? 18  VAL   B HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -10.574 1.519   3.632   1 34.065 ? 18  VAL   B HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -11.934 0.916   4.18    1 33.348 ? 18  VAL   B HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -8.27   -2.528  4.481   1 26.64  ? 19  THR   B N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? -7.582  -3.795  4.723   1 29.117 ? 19  THR   B CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? -7.442  -4.079  6.226   1 30.55  ? 19  THR   B C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -7.857  -5.11   6.685   1 30.92  ? 19  THR   B O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? -6.233  -3.76   3.989   1 29.897 ? 19  THR   B CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? -6.61   -3.527  2.63    1 30.008 ? 19  THR   B OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? -5.408  -5.023  4.162   1 28.605 ? 19  THR   B CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? -7.859  -1.917  3.94    1 27.507 ? 19  THR   B H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -8.125  -4.511  4.325   1 27.61  ? 19  THR   B HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? -5.703  -2.994  4.313   1 30.973 ? 19  THR   B HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? -7.117  -4.229  2.353   0 30     ? 19  THR   B HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? -4.668  -5.016  3.532   1 29.337 ? 19  THR   B HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? -5.967  -5.801  3.995   1 28.201 ? 19  THR   B HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? -5.06   -5.064  5.069   1 30.407 ? 19  THR   B HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? -6.923  -3.147  7.007   1 35.08  ? 20  GLU   B N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? -6.726  -3.342  8.435   1 39.483 ? 20  GLU   B CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -8.051  -3.623  9.155   1 37.287 ? 20  GLU   B C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -8.164  -4.587  9.91    1 37.964 ? 20  GLU   B O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? -6.051  -2.081  8.993   1 47.407 ? 20  GLU   B CB   1 ? 1 
ATOM   93   C CG   . GLU   A 1 8   ? -4.591  -2.214  9.433   1 58.477 ? 20  GLU   B CG   1 ? 1 
ATOM   94   C CD   . GLU   A 1 8   ? -3.47   -2.104  8.413   1 65.496 ? 20  GLU   B CD   1 ? 1 
ATOM   95   O OE1  . GLU   A 1 8   ? -2.486  -1.39   8.758   1 72.814 ? 20  GLU   B OE1  1 ? 1 
ATOM   96   O OE2  . GLU   A 1 8   ? -3.556  -2.734  7.33    1 63.479 ? 20  GLU   B OE2  1 ? 1 
ATOM   97   H H    . GLU   A 1 8   ? -6.675  -2.35   6.634   1 35.101 ? 20  GLU   B H    1 c 1 
ATOM   98   H HA   . GLU   A 1 8   ? -6.123  -4.118  8.563   1 40.188 ? 20  GLU   B HA   1 c 1 
ATOM   99   H HB2  . GLU   A 1 8   ? -6.111  -1.364  8.328   1 46.838 ? 20  GLU   B HB2  1 c 1 
ATOM   100  H HB3  . GLU   A 1 8   ? -6.551  -1.794  9.778   1 48.107 ? 20  GLU   B HB3  1 c 1 
ATOM   101  H HG2  . GLU   A 1 8   ? -4.42   -1.535  10.113  1 59.293 ? 20  GLU   B HG2  1 c 1 
ATOM   102  H HG3  . GLU   A 1 8   ? -4.491  -3.079  9.885   1 57.928 ? 20  GLU   B HG3  1 c 1 
ATOM   103  N N    . GLN   A 1 9   ? -9.052  -2.756  8.937   1 34.626 ? 21  GLN   B N    1 ? 1 
ATOM   104  C CA   . GLN   A 1 9   ? -10.126 -2.568  9.9     1 34.941 ? 21  GLN   B CA   1 ? 1 
ATOM   105  C C    . GLN   A 1 9   ? -11.501 -2.712  9.277   1 33.322 ? 21  GLN   B C    1 ? 1 
ATOM   106  O O    . GLN   A 1 9   ? -12.511 -2.544  9.961   1 35.632 ? 21  GLN   B O    1 ? 1 
ATOM   107  C CB   . GLN   A 1 9   ? -10.07  -1.143  10.427  1 36.499 ? 21  GLN   B CB   1 ? 1 
ATOM   108  C CG   . GLN   A 1 9   ? -8.649  -0.644  10.639  1 37.864 ? 21  GLN   B CG   1 ? 1 
ATOM   109  C CD   . GLN   A 1 9   ? -8.567  0.727   11.263  1 40.423 ? 21  GLN   B CD   1 ? 1 
ATOM   110  O OE1  . GLN   A 1 9   ? -9.529  1.506   11.284  1 39.681 ? 21  GLN   B OE1  1 ? 1 
ATOM   111  N NE2  . GLN   A 1 9   ? -7.385  1.025   11.776  1 42.947 ? 21  GLN   B NE2  1 ? 1 
ATOM   112  H H    . GLN   A 1 9   ? -9.044  -2.245  8.18    1 34.175 ? 21  GLN   B H    1 c 1 
ATOM   113  H HA   . GLN   A 1 9   ? -10.025 -3.222  10.634  1 36.049 ? 21  GLN   B HA   1 c 1 
ATOM   114  H HB2  . GLN   A 1 9   ? -10.523 -0.55   9.791   1 35.476 ? 21  GLN   B HB2  1 c 1 
ATOM   115  H HB3  . GLN   A 1 9   ? -10.557 -1.099  11.274  1 37.446 ? 21  GLN   B HB3  1 c 1 
ATOM   116  H HG2  . GLN   A 1 9   ? -8.167  -1.279  11.211  1 39.143 ? 21  GLN   B HG2  1 c 1 
ATOM   117  H HG3  . GLN   A 1 9   ? -8.19   -0.61   9.777   1 37.298 ? 21  GLN   B HG3  1 c 1 
ATOM   118  H HE21 . GLN   A 1 9   ? -7.305  1.718   12.323  1 44.356 ? 21  GLN   B HE21 1 c 1 
ATOM   119  H HE22 . GLN   A 1 9   ? -6.674  0.534   11.573  1 42.868 ? 21  GLN   B HE22 1 c 1 
ATOM   120  N N    . GLY   A 1 10  ? -11.522 -3.025  7.98    1 32.228 ? 22  GLY   B N    1 ? 1 
ATOM   121  C CA   . GLY   A 1 10  ? -12.761 -3.223  7.242   1 31.522 ? 22  GLY   B CA   1 ? 1 
ATOM   122  C C    . GLY   A 1 10  ? -13.488 -4.539  7.566   1 30.794 ? 22  GLY   B C    1 ? 1 
ATOM   123  O O    . GLY   A 1 10  ? -12.865 -5.582  7.795   1 31.442 ? 22  GLY   B O    1 ? 1 
ATOM   124  H H    . GLY   A 1 10  ? -10.733 -3.131  7.532   1 31.987 ? 22  GLY   B H    1 c 1 
ATOM   125  H HA2  . GLY   A 1 10  ? -13.362 -2.468  7.437   1 31.447 ? 22  GLY   B HA2  1 c 1 
ATOM   126  H HA3  . GLY   A 1 10  ? -12.561 -3.198  6.278   1 30.119 ? 22  GLY   B HA3  1 c 1 
ATOM   127  N N    . GLU   A 1 11  ? -14.824 -4.463  7.524   1 28.81  ? 23  GLU   B N    1 ? 1 
ATOM   128  C CA   . GLU   A 1 11  ? -15.689 -5.619  7.69    1 29.891 ? 23  GLU   B CA   1 ? 1 
ATOM   129  C C    . GLU   A 1 11  ? -15.835 -6.371  6.361   1 27.815 ? 23  GLU   B C    1 ? 1 
ATOM   130  O O    . GLU   A 1 11  ? -15.966 -5.772  5.299   1 25.769 ? 23  GLU   B O    1 ? 1 
ATOM   131  C CB   . GLU   A 1 11  ? -17.026 -5.082  8.195   1 33.125 ? 23  GLU   B CB   1 ? 1 
ATOM   132  C CG   . GLU   A 1 11  ? -18.118 -6.13   8.28    1 36.833 ? 23  GLU   B CG   1 ? 1 
ATOM   133  C CD   . GLU   A 1 11  ? -19.472 -5.622  8.73    1 40.947 ? 23  GLU   B CD   1 ? 1 
ATOM   134  O OE1  . GLU   A 1 11  ? -19.596 -4.52   9.283   1 46.809 ? 23  GLU   B OE1  1 ? 1 
ATOM   135  O OE2  . GLU   A 1 11  ? -20.429 -6.38   8.503   1 42.86  ? 23  GLU   B OE2  1 ? 1 
ATOM   136  H H    . GLU   A 1 11  ? -15.212 -3.648  7.382   1 29.435 ? 23  GLU   B H    1 c 1 
ATOM   137  H HA   . GLU   A 1 11  ? -15.292 -6.222  8.368   1 30.891 ? 23  GLU   B HA   1 c 1 
ATOM   138  H HB2  . GLU   A 1 11  ? -16.894 -4.682  9.079   1 34.458 ? 23  GLU   B HB2  1 c 1 
ATOM   139  H HB3  . GLU   A 1 11  ? -17.328 -4.372  7.591   1 32.56  ? 23  GLU   B HB3  1 c 1 
ATOM   140  H HG2  . GLU   A 1 11  ? -18.227 -6.546  7.399   1 35.627 ? 23  GLU   B HG2  1 c 1 
ATOM   141  H HG3  . GLU   A 1 11  ? -17.832 -6.834  8.901   1 37.509 ? 23  GLU   B HG3  1 c 1 
ATOM   142  N N    . ASP   A 1 12  ? -15.746 -7.701  6.428   1 27.419 ? 24  ASP   B N    1 ? 1 
ATOM   143  C CA   . ASP   A 1 12  ? -15.916 -8.581  5.292   1 26.116 ? 24  ASP   B CA   1 ? 1 
ATOM   144  C C    . ASP   A 1 12  ? -17.414 -8.795  5.126   1 26.916 ? 24  ASP   B C    1 ? 1 
ATOM   145  O O    . ASP   A 1 12  ? -18.036 -9.486  5.943   1 28.355 ? 24  ASP   B O    1 ? 1 
ATOM   146  C CB   . ASP   A 1 12  ? -15.191 -9.899  5.492   1 26.377 ? 24  ASP   B CB   1 ? 1 
ATOM   147  C CG   . ASP   A 1 12  ? -15.217 -10.864 4.306   1 28.009 ? 24  ASP   B CG   1 ? 1 
ATOM   148  O OD1  . ASP   A 1 12  ? -15.907 -10.568 3.276   1 27.917 ? 24  ASP   B OD1  1 ? 1 
ATOM   149  O OD2  . ASP   A 1 12  ? -14.471 -11.881 4.365   1 27.567 ? 24  ASP   B OD2  1 ? 1 
ATOM   150  H H    . ASP   A 1 12  ? -15.567 -8.081  7.239   1 28.542 ? 24  ASP   B H    1 c 1 
ATOM   151  H HA   . ASP   A 1 12  ? -15.558 -8.139  4.49    1 25.318 ? 24  ASP   B HA   1 c 1 
ATOM   152  H HB2  . ASP   A 1 12  ? -14.254 -9.706  5.701   1 27.12  ? 24  ASP   B HB2  1 c 1 
ATOM   153  H HB3  . ASP   A 1 12  ? -15.58  -10.358 6.265   1 28.054 ? 24  ASP   B HB3  1 c 1 
ATOM   154  N N    . ILE   A 1 13  ? -17.973 -8.21   4.051   1 27.122 ? 25  ILE   B N    1 ? 1 
ATOM   155  C CA   . ILE   A 1 13  ? -19.417 -8.228  3.825   1 27.582 ? 25  ILE   B CA   1 ? 1 
ATOM   156  C C    . ILE   A 1 13  ? -19.823 -9.226  2.737   1 26.878 ? 25  ILE   B C    1 ? 1 
ATOM   157  O O    . ILE   A 1 13  ? -20.989 -9.159  2.329   1 27.247 ? 25  ILE   B O    1 ? 1 
ATOM   158  C CB   . ILE   A 1 13  ? -19.957 -6.814  3.556   1 26.73  ? 25  ILE   B CB   1 ? 1 
ATOM   159  C CG1  . ILE   A 1 13  ? -19.24  -6.146  2.366   1 26.241 ? 25  ILE   B CG1  1 ? 1 
ATOM   160  C CG2  . ILE   A 1 13  ? -19.856 -5.969  4.835   1 26.496 ? 25  ILE   B CG2  1 ? 1 
ATOM   161  C CD1  . ILE   A 1 13  ? -19.966 -4.936  1.783   1 25.499 ? 25  ILE   B CD1  1 ? 1 
ATOM   162  H H    . ILE   A 1 13  ? -17.436 -7.799  3.436   1 26.032 ? 25  ILE   B H    1 c 1 
ATOM   163  H HA   . ILE   A 1 13  ? -19.832 -8.531  4.655   1 28.417 ? 25  ILE   B HA   1 c 1 
ATOM   164  H HB   . ILE   A 1 13  ? -20.903 -6.894  3.325   1 27.142 ? 25  ILE   B HB   1 c 1 
ATOM   165  H HG12 . ILE   A 1 13  ? -18.35  -5.863  2.658   1 25.727 ? 25  ILE   B HG12 1 c 1 
ATOM   166  H HG13 . ILE   A 1 13  ? -19.123 -6.81   1.657   1 25.407 ? 25  ILE   B HG13 1 c 1 
ATOM   167  H HG21 . ILE   A 1 13  ? -20.228 -5.086  4.673   1 26.871 ? 25  ILE   B HG21 1 c 1 
ATOM   168  H HG22 . ILE   A 1 13  ? -18.924 -5.882  5.097   1 26.685 ? 25  ILE   B HG22 1 c 1 
ATOM   169  H HG23 . ILE   A 1 13  ? -20.353 -6.4    5.551   1 27.857 ? 25  ILE   B HG23 1 c 1 
ATOM   170  H HD11 . ILE   A 1 13  ? -20.866 -5.198  1.51    1 26.038 ? 25  ILE   B HD11 1 c 1 
ATOM   171  H HD12 . ILE   A 1 13  ? -19.479 -4.599  1.008   1 25.054 ? 25  ILE   B HD12 1 c 1 
ATOM   172  H HD13 . ILE   A 1 13  ? -20.025 -4.234  2.458   1 26.228 ? 25  ILE   B HD13 1 c 1 
ATOM   173  N N    . THR   A 1 14  ? -18.906 -10.159 2.361   1 24.577 ? 26  THR   B N    1 ? 1 
ATOM   174  C CA   . THR   A 1 14  ? -19.177 -11.232 1.415   1 24.945 ? 26  THR   B CA   1 ? 1 
ATOM   175  C C    . THR   A 1 14  ? -19.842 -12.393 2.155   1 27.66  ? 26  THR   B C    1 ? 1 
ATOM   176  O O    . THR   A 1 14  ? -19.601 -12.602 3.345   1 32.019 ? 26  THR   B O    1 ? 1 
ATOM   177  C CB   . THR   A 1 14  ? -17.917 -11.744 0.699   1 23.773 ? 26  THR   B CB   1 ? 1 
ATOM   178  O OG1  . THR   A 1 14  ? -17.007 -12.225 1.681   1 24.053 ? 26  THR   B OG1  1 ? 1 
ATOM   179  C CG2  . THR   A 1 14  ? -17.185 -10.687 -0.094  1 22.872 ? 26  THR   B CG2  1 ? 1 
ATOM   180  H H    . THR   A 1 14  ? -18.068 -10.113 2.721   1 25.002 ? 26  THR   B H    1 c 1 
ATOM   181  H HA   . THR   A 1 14  ? -19.799 -10.891 0.738   1 24.881 ? 26  THR   B HA   1 c 1 
ATOM   182  H HB   . THR   A 1 14  ? -18.162 -12.484 0.094   1 24.059 ? 26  THR   B HB   1 c 1 
ATOM   183  H HG1  . THR   A 1 14  ? -16.821 -11.598 2.246   0 30     ? 26  THR   B HG1  1 c 1 
ATOM   184  H HG21 . THR   A 1 14  ? -16.447 -11.093 -0.576  1 22.457 ? 26  THR   B HG21 1 c 1 
ATOM   185  H HG22 . THR   A 1 14  ? -16.841 -10.008 0.511   1 22.753 ? 26  THR   B HG22 1 c 1 
ATOM   186  H HG23 . THR   A 1 14  ? -17.796 -10.275 -0.727  1 22.556 ? 26  THR   B HG23 1 c 1 
ATOM   187  N N    . SER   A 1 15  ? -20.631 -13.166 1.4     1 26.829 ? 27  SER   B N    1 ? 1 
ATOM   188  C CA   . SER   A 1 15  ? -21.338 -14.336 1.867   1 27.807 ? 27  SER   B CA   1 ? 1 
ATOM   189  C C    . SER   A 1 15  ? -20.344 -15.437 2.147   1 28.63  ? 27  SER   B C    1 ? 1 
ATOM   190  O O    . SER   A 1 15  ? -20.523 -16.229 3.079   1 30.163 ? 27  SER   B O    1 ? 1 
ATOM   191  C CB   . SER   A 1 15  ? -22.288 -14.833 0.825   1 28.251 ? 27  SER   B CB   1 ? 1 
ATOM   192  O OG   . SER   A 1 15  ? -23.202 -13.825 0.447   1 29.066 ? 27  SER   B OG   1 ? 1 
ATOM   193  H H    . SER   A 1 15  ? -20.729 -12.937 0.52    1 26.332 ? 27  SER   B H    1 c 1 
ATOM   194  H HA   . SER   A 1 15  ? -21.834 -14.116 2.697   1 28.889 ? 27  SER   B HA   1 c 1 
ATOM   195  H HB2  . SER   A 1 15  ? -21.785 -15.123 0.04    1 27.85  ? 27  SER   B HB2  1 c 1 
ATOM   196  H HB3  . SER   A 1 15  ? -22.777 -15.601 1.173   1 29.911 ? 27  SER   B HB3  1 c 1 
ATOM   197  H HG   . SER   A 1 15  ? -23.769 -14.108 -0.138  0 30     ? 27  SER   B HG   1 c 1 
ATOM   198  N N    . LYS   A 1 16  ? -19.38  -15.518 1.228   1 28.981 ? 28  LYS   B N    1 ? 1 
ATOM   199  C CA   . LYS   A 1 16  ? -18.409 -16.602 1.184   1 32.056 ? 28  LYS   B CA   1 ? 1 
ATOM   200  C C    . LYS   A 1 16  ? -17.309 -16.348 2.199   1 30.084 ? 28  LYS   B C    1 ? 1 
ATOM   201  O O    . LYS   A 1 16  ? -16.487 -17.229 2.438   1 30.379 ? 28  LYS   B O    1 ? 1 
ATOM   202  C CB   . LYS   A 1 16  ? -17.713 -16.719 -0.175  1 34.976 ? 28  LYS   B CB   1 ? 1 
ATOM   203  C CG   . LYS   A 1 16  ? -18.373 -17.662 -1.138  1 40.183 ? 28  LYS   B CG   1 ? 1 
ATOM   204  C CD   . LYS   A 1 16  ? -18.031 -17.328 -2.582  1 47.428 ? 28  LYS   B CD   1 ? 1 
ATOM   205  C CE   . LYS   A 1 16  ? -17.895 -18.58  -3.382  1 57.497 ? 28  LYS   B CE   1 ? 1 
ATOM   206  N NZ   . LYS   A 1 16  ? -18.387 -18.352 -4.741  1 63.267 ? 28  LYS   B NZ   1 ? 1 
ATOM   207  H H    . LYS   A 1 16  ? -19.328 -14.868 0.588   1 28.191 ? 28  LYS   B H    1 c 1 
ATOM   208  H HA   . LYS   A 1 16  ? -18.867 -17.453 1.404   1 33.063 ? 28  LYS   B HA   1 c 1 
ATOM   209  H HB2  . LYS   A 1 16  ? -17.674 -15.83  -0.586  1 33.956 ? 28  LYS   B HB2  1 c 1 
ATOM   210  H HB3  . LYS   A 1 16  ? -16.79  -17.02  -0.036  1 34.783 ? 28  LYS   B HB3  1 c 1 
ATOM   211  H HG2  . LYS   A 1 16  ? -18.081 -18.578 -0.934  1 41.806 ? 28  LYS   B HG2  1 c 1 
ATOM   212  H HG3  . LYS   A 1 16  ? -19.346 -17.614 -1.014  1 41.362 ? 28  LYS   B HG3  1 c 1 
ATOM   213  H HD2  . LYS   A 1 16  ? -18.742 -16.77  -2.966  1 47.07  ? 28  LYS   B HD2  1 c 1 
ATOM   214  H HD3  . LYS   A 1 16  ? -17.187 -16.828 -2.616  1 46.072 ? 28  LYS   B HD3  1 c 1 
ATOM   215  H HE2  . LYS   A 1 16  ? -16.959 -18.848 -3.42   1 56.222 ? 28  LYS   B HE2  1 c 1 
ATOM   216  H HE3  . LYS   A 1 16  ? -18.408 -19.302 -2.977  1 57.484 ? 28  LYS   B HE3  1 c 1 
ATOM   217  H HZ1  . LYS   A 1 16  ? -17.945 -17.656 -5.117  1 60.224 ? 28  LYS   B HZ1  1 c 1 
ATOM   218  H HZ2  . LYS   A 1 16  ? -19.274 -18.169 -4.722  1 61.646 ? 28  LYS   B HZ2  1 c 1 
ATOM   219  H HZ3  . LYS   A 1 16  ? -18.25  -19.096 -5.241  1 61.977 ? 28  LYS   B HZ3  1 c 1 
ATOM   220  N N    . LYS   A 1 17  ? -17.285 -15.122 2.73    1 29.009 ? 29  LYS   B N    1 ? 1 
ATOM   221  C CA   . LYS   A 1 17  ? -16.316 -14.708 3.731   1 29.873 ? 29  LYS   B CA   1 ? 1 
ATOM   222  C C    . LYS   A 1 17  ? -14.896 -14.808 3.161   1 26.307 ? 29  LYS   B C    1 ? 1 
ATOM   223  O O    . LYS   A 1 17  ? -14.006 -15.288 3.845   1 23.934 ? 29  LYS   B O    1 ? 1 
ATOM   224  C CB   . LYS   A 1 17  ? -16.581 -15.441 5.051   1 33.058 ? 29  LYS   B CB   1 ? 1 
ATOM   225  C CG   . LYS   A 1 17  ? -17.787 -14.92  5.83    1 38.351 ? 29  LYS   B CG   1 ? 1 
ATOM   226  C CD   . LYS   A 1 17  ? -17.593 -13.535 6.454   1 42.472 ? 29  LYS   B CD   1 ? 1 
ATOM   227  C CE   . LYS   A 1 17  ? -18.753 -12.984 7.239   1 47.118 ? 29  LYS   B CE   1 ? 1 
ATOM   228  N NZ   . LYS   A 1 17  ? -19.656 -12.224 6.356   1 48.487 ? 29  LYS   B NZ   1 ? 1 
ATOM   229  H H    . LYS   A 1 17  ? -17.892 -14.503 2.442   1 28.781 ? 29  LYS   B H    1 c 1 
ATOM   230  H HA   . LYS   A 1 17  ? -16.481 -13.749 3.911   1 29.038 ? 29  LYS   B HA   1 c 1 
ATOM   231  H HB2  . LYS   A 1 17  ? -16.719 -16.394 4.868   1 34.386 ? 29  LYS   B HB2  1 c 1 
ATOM   232  H HB3  . LYS   A 1 17  ? -15.788 -15.359 5.622   1 33.988 ? 29  LYS   B HB3  1 c 1 
ATOM   233  H HG2  . LYS   A 1 17  ? -18.557 -14.888 5.222   1 37.843 ? 29  LYS   B HG2  1 c 1 
ATOM   234  H HG3  . LYS   A 1 17  ? -17.997 -15.562 6.542   1 39.695 ? 29  LYS   B HG3  1 c 1 
ATOM   235  H HD2  . LYS   A 1 17  ? -16.81  -13.575 7.045   1 42.6   ? 29  LYS   B HD2  1 c 1 
ATOM   236  H HD3  . LYS   A 1 17  ? -17.375 -12.902 5.737   1 40.731 ? 29  LYS   B HD3  1 c 1 
ATOM   237  H HE2  . LYS   A 1 17  ? -19.249 -13.715 7.651   1 48.164 ? 29  LYS   B HE2  1 c 1 
ATOM   238  H HE3  . LYS   A 1 17  ? -18.426 -12.398 7.944   1 47.189 ? 29  LYS   B HE3  1 c 1 
ATOM   239  H HZ1  . LYS   A 1 17  ? -19.892 -12.734 5.645   1 47.34  ? 29  LYS   B HZ1  1 c 1 
ATOM   240  H HZ2  . LYS   A 1 17  ? -19.239 -11.476 6.062   1 46.631 ? 29  LYS   B HZ2  1 c 1 
ATOM   241  H HZ3  . LYS   A 1 17  ? -20.402 -11.988 6.813   1 48.541 ? 29  LYS   B HZ3  1 c 1 
ATOM   242  N N    . ASP   A 1 18  ? -14.71  -14.294 1.932   1 23.636 ? 30  ASP   B N    1 ? 1 
ATOM   243  C CA   . ASP   A 1 18  ? -13.432 -14.374 1.229   1 24.32  ? 30  ASP   B CA   1 ? 1 
ATOM   244  C C    . ASP   A 1 18  ? -12.707 -13.023 1.242   1 24.601 ? 30  ASP   B C    1 ? 1 
ATOM   245  O O    . ASP   A 1 18  ? -11.747 -12.817 0.513   1 24.359 ? 30  ASP   B O    1 ? 1 
ATOM   246  C CB   . ASP   A 1 18  ? -13.594 -14.918 -0.185  1 21.95  ? 30  ASP   B CB   1 ? 1 
ATOM   247  C CG   . ASP   A 1 18  ? -14.571 -14.15  -1.051  1 21.318 ? 30  ASP   B CG   1 ? 1 
ATOM   248  O OD1  . ASP   A 1 18  ? -14.828 -12.965 -0.765  1 19.534 ? 30  ASP   B OD1  1 ? 1 
ATOM   249  O OD2  . ASP   A 1 18  ? -15.109 -14.748 -1.985  1 23.473 ? 30  ASP   B OD2  1 ? 1 
ATOM   250  H H    . ASP   A 1 18  ? -15.406 -13.866 1.523   1 23.755 ? 30  ASP   B H    1 c 1 
ATOM   251  H HA   . ASP   A 1 18  ? -12.865 -15.023 1.703   1 24.685 ? 30  ASP   B HA   1 c 1 
ATOM   252  H HB2  . ASP   A 1 18  ? -12.721 -14.919 -0.631  1 22.17  ? 30  ASP   B HB2  1 c 1 
ATOM   253  H HB3  . ASP   A 1 18  ? -13.903 -15.847 -0.129  1 23.154 ? 30  ASP   B HB3  1 c 1 
ATOM   254  N N    . ARG   A 1 19  ? -13.163 -12.083 2.07    1 28.044 ? 31  ARG   B N    1 ? 1 
ATOM   255  C CA   . ARG   A 1 19  ? -12.563 -10.751 2.172   1 28.765 ? 31  ARG   B CA   1 ? 1 
ATOM   256  C C    . ARG   A 1 19  ? -12.488 -10.047 0.811   1 30.359 ? 31  ARG   B C    1 ? 1 
ATOM   257  O O    . ARG   A 1 19  ? -11.629 -9.191  0.614   1 31.468 ? 31  ARG   B O    1 ? 1 
ATOM   258  C CB   . ARG   A 1 19  ? -11.192 -10.814 2.847   1 27.22  ? 31  ARG   B CB   1 ? 1 
ATOM   259  C CG   . ARG   A 1 19  ? -11.267 -11.277 4.29    1 27.624 ? 31  ARG   B CG   1 ? 1 
ATOM   260  C CD   . ARG   A 1 19  ? -9.866  -11.332 4.939   1 28.875 ? 31  ARG   B CD   1 ? 1 
ATOM   261  N NE   . ARG   A 1 19  ? -9.066  -10.113 4.755   1 28.355 ? 31  ARG   B NE   1 ? 1 
ATOM   262  C CZ   . ARG   A 1 19  ? -9.169  -8.994  5.467   1 29.836 ? 31  ARG   B CZ   1 ? 1 
ATOM   263  N NH1  . ARG   A 1 19  ? -10.073 -8.881  6.43    1 32.748 ? 31  ARG   B NH1  1 ? 1 
ATOM   264  N NH2  . ARG   A 1 19  ? -8.345  -7.97   5.301   1 30.115 ? 31  ARG   B NH2  1 ? 1 
ATOM   265  H H    . ARG   A 1 19  ? -13.88  -12.274 2.602   1 27.809 ? 31  ARG   B H    1 c 1 
ATOM   266  H HA   . ARG   A 1 19  ? -13.145 -10.204 2.755   1 28.723 ? 31  ARG   B HA   1 c 1 
ATOM   267  H HB2  . ARG   A 1 19  ? -10.612 -11.425 2.346   1 27.45  ? 31  ARG   B HB2  1 c 1 
ATOM   268  H HB3  . ARG   A 1 19  ? -10.784 -9.923  2.822   1 27.401 ? 31  ARG   B HB3  1 c 1 
ATOM   269  H HG2  . ARG   A 1 19  ? -11.836 -10.661 4.801   1 28.029 ? 31  ARG   B HG2  1 c 1 
ATOM   270  H HG3  . ARG   A 1 19  ? -11.673 -12.171 4.326   1 28.183 ? 31  ARG   B HG3  1 c 1 
ATOM   271  H HD2  . ARG   A 1 19  ? -9.973  -11.5   5.898   1 29.899 ? 31  ARG   B HD2  1 c 1 
ATOM   272  H HD3  . ARG   A 1 19  ? -9.379  -12.091 4.56    1 28.905 ? 31  ARG   B HD3  1 c 1 
ATOM   273  H HE   . ARG   A 1 19  ? -8.468  -10.121 4.12    1 28.378 ? 31  ARG   B HE   1 c 1 
ATOM   274  H HH11 . ARG   A 1 19  ? -10.91  -9.133  6.284   1 31.475 ? 31  ARG   B HH11 1 c 1 
ATOM   275  H HH12 . ARG   A 1 19  ? -9.835  -8.548  7.215   1 33.032 ? 31  ARG   B HH12 1 c 1 
ATOM   276  H HH21 . ARG   A 1 19  ? -7.608  -8.071  4.824   1 30.125 ? 31  ARG   B HH21 1 c 1 
ATOM   277  H HH22 . ARG   A 1 19  ? -8.536  -7.188  5.669   1 30.409 ? 31  ARG   B HH22 1 c 1 
ATOM   278  N N    . GLY   A 1 20  ? -13.438 -10.356 -0.091  1 31.911 ? 32  GLY   B N    1 ? 1 
ATOM   279  C CA   . GLY   A 1 20  ? -13.418 -9.854  -1.456  1 30.139 ? 32  GLY   B CA   1 ? 1 
ATOM   280  C C    . GLY   A 1 20  ? -14.075 -8.474  -1.57   1 29.968 ? 32  GLY   B C    1 ? 1 
ATOM   281  O O    . GLY   A 1 20  ? -13.979 -7.82   -2.62   1 32.083 ? 32  GLY   B O    1 ? 1 
ATOM   282  H H    . GLY   A 1 20  ? -14.134 -10.891 0.163   1 31.295 ? 32  GLY   B H    1 c 1 
ATOM   283  H HA2  . GLY   A 1 20  ? -12.485 -9.799  -1.767  1 30.335 ? 32  GLY   B HA2  1 c 1 
ATOM   284  H HA3  . GLY   A 1 20  ? -13.892 -10.492 -2.038  1 30.226 ? 32  GLY   B HA3  1 c 1 
ATOM   285  N N    . VAL   A 1 21  ? -14.754 -8.06   -0.494  1 25.791 ? 33  VAL   B N    1 ? 1 
ATOM   286  C CA   . VAL   A 1 21  ? -15.391 -6.761  -0.392  1 23.857 ? 33  VAL   B CA   1 ? 1 
ATOM   287  C C    . VAL   A 1 21  ? -15.326 -6.378  1.08    1 24.418 ? 33  VAL   B C    1 ? 1 
ATOM   288  O O    . VAL   A 1 21  ? -15.907 -7.058  1.922   1 23.964 ? 33  VAL   B O    1 ? 1 
ATOM   289  C CB   . VAL   A 1 21  ? -16.856 -6.782  -0.887  1 23.466 ? 33  VAL   B CB   1 ? 1 
ATOM   290  C CG1  . VAL   A 1 21  ? -17.496 -5.404  -0.866  1 23.603 ? 33  VAL   B CG1  1 ? 1 
ATOM   291  C CG2  . VAL   A 1 21  ? -17.015 -7.37   -2.276  1 22.528 ? 33  VAL   B CG2  1 ? 1 
ATOM   292  H H    . VAL   A 1 21  ? -14.836 -8.63   0.215   1 26.82  ? 33  VAL   B H    1 c 1 
ATOM   293  H HA   . VAL   A 1 21  ? -14.885 -6.114  -0.918  1 23.962 ? 33  VAL   B HA   1 c 1 
ATOM   294  H HB   . VAL   A 1 21  ? -17.363 -7.354  -0.264  1 23.842 ? 33  VAL   B HB   1 c 1 
ATOM   295  H HG11 . VAL   A 1 21  ? -17.02  -4.815  -1.476  1 23.382 ? 33  VAL   B HG11 1 c 1 
ATOM   296  H HG12 . VAL   A 1 21  ? -17.454 -5.038  0.033   1 24.027 ? 33  VAL   B HG12 1 c 1 
ATOM   297  H HG13 . VAL   A 1 21  ? -18.425 -5.472  -1.142  1 23.832 ? 33  VAL   B HG13 1 c 1 
ATOM   298  H HG21 . VAL   A 1 21  ? -17.934 -7.259  -2.573  1 22.941 ? 33  VAL   B HG21 1 c 1 
ATOM   299  H HG22 . VAL   A 1 21  ? -16.796 -8.316  -2.256  1 22.786 ? 33  VAL   B HG22 1 c 1 
ATOM   300  H HG23 . VAL   A 1 21  ? -16.42  -6.912  -2.893  1 22.457 ? 33  VAL   B HG23 1 c 1 
ATOM   301  N N    . LEU   A 1 22  ? -14.616 -5.287  1.37    1 25.406 ? 34  LEU   B N    1 ? 1 
ATOM   302  C CA   . LEU   A 1 22  ? -14.397 -4.825  2.733   1 25.786 ? 34  LEU   B CA   1 ? 1 
ATOM   303  C C    . LEU   A 1 22  ? -14.919 -3.408  2.891   1 25.859 ? 34  LEU   B C    1 ? 1 
ATOM   304  O O    . LEU   A 1 22  ? -14.781 -2.584  1.994   1 23.122 ? 34  LEU   B O    1 ? 1 
ATOM   305  C CB   . LEU   A 1 22  ? -12.921 -4.869  3.063   1 26.031 ? 34  LEU   B CB   1 ? 1 
ATOM   306  C CG   . LEU   A 1 22  ? -12.318 -6.271  3.08    1 25.645 ? 34  LEU   B CG   1 ? 1 
ATOM   307  C CD1  . LEU   A 1 22  ? -10.811 -6.17   2.877   1 27.501 ? 34  LEU   B CD1  1 ? 1 
ATOM   308  C CD2  . LEU   A 1 22  ? -12.592 -6.985  4.375   1 25.834 ? 34  LEU   B CD2  1 ? 1 
ATOM   309  H H    . LEU   A 1 22  ? -14.248 -4.806  0.686   1 24.791 ? 34  LEU   B H    1 c 1 
ATOM   310  H HA   . LEU   A 1 22  ? -14.887 -5.419  3.35    1 26.145 ? 34  LEU   B HA   1 c 1 
ATOM   311  H HB2  . LEU   A 1 22  ? -12.439 -4.328  2.396   1 25.76  ? 34  LEU   B HB2  1 c 1 
ATOM   312  H HB3  . LEU   A 1 22  ? -12.788 -4.46   3.949   1 26.859 ? 34  LEU   B HB3  1 c 1 
ATOM   313  H HG   . LEU   A 1 22  ? -12.708 -6.797  2.334   1 25.108 ? 34  LEU   B HG   1 c 1 
ATOM   314  H HD11 . LEU   A 1 22  ? -10.625 -5.801  1.997   1 26.514 ? 34  LEU   B HD11 1 c 1 
ATOM   315  H HD12 . LEU   A 1 22  ? -10.413 -7.055  2.946   1 27.224 ? 34  LEU   B HD12 1 c 1 
ATOM   316  H HD13 . LEU   A 1 22  ? -10.429 -5.591  3.558   1 27.885 ? 34  LEU   B HD13 1 c 1 
ATOM   317  H HD21 . LEU   A 1 22  ? -13.549 -7      4.542   1 26.065 ? 34  LEU   B HD21 1 c 1 
ATOM   318  H HD22 . LEU   A 1 22  ? -12.145 -6.52   5.103   1 26.94  ? 34  LEU   B HD22 1 c 1 
ATOM   319  H HD23 . LEU   A 1 22  ? -12.259 -7.896  4.321   1 26.168 ? 34  LEU   B HD23 1 c 1 
ATOM   320  N N    . LYS   A 1 23  ? -15.493 -3.146  4.072   1 26.896 ? 35  LYS   B N    1 ? 1 
ATOM   321  C CA   . LYS   A 1 23  ? -16.279 -1.951  4.269   1 27.58  ? 35  LYS   B CA   1 ? 1 
ATOM   322  C C    . LYS   A 1 23  ? -15.956 -1.354  5.642   1 30.238 ? 35  LYS   B C    1 ? 1 
ATOM   323  O O    . LYS   A 1 23  ? -15.816 -2.085  6.63    1 28.399 ? 35  LYS   B O    1 ? 1 
ATOM   324  C CB   . LYS   A 1 23  ? -17.767 -2.273  4.126   1 25.916 ? 35  LYS   B CB   1 ? 1 
ATOM   325  C CG   . LYS   A 1 23  ? -18.721 -1.107  4.302   1 27.567 ? 35  LYS   B CG   1 ? 1 
ATOM   326  C CD   . LYS   A 1 23  ? -20.229 -1.418  4.339   1 28.82  ? 35  LYS   B CD   1 ? 1 
ATOM   327  C CE   . LYS   A 1 23  ? -21.099 -0.217  4.78    1 30.684 ? 35  LYS   B CE   1 ? 1 
ATOM   328  N NZ   . LYS   A 1 23  ? -22.543 -0.455  4.922   1 31.672 ? 35  LYS   B NZ   1 ? 1 
ATOM   329  H H    . LYS   A 1 23  ? -15.387 -3.727  4.769   1 27.406 ? 35  LYS   B H    1 c 1 
ATOM   330  H HA   . LYS   A 1 23  ? -16.033 -1.298  3.573   1 27.121 ? 35  LYS   B HA   1 c 1 
ATOM   331  H HB2  . LYS   A 1 23  ? -17.915 -2.658  3.236   1 25.673 ? 35  LYS   B HB2  1 c 1 
ATOM   332  H HB3  . LYS   A 1 23  ? -17.999 -2.961  4.786   1 26.905 ? 35  LYS   B HB3  1 c 1 
ATOM   333  H HG2  . LYS   A 1 23  ? -18.484 -0.646  5.136   1 28.413 ? 35  LYS   B HG2  1 c 1 
ATOM   334  H HG3  . LYS   A 1 23  ? -18.556 -0.472  3.571   1 27.189 ? 35  LYS   B HG3  1 c 1 
ATOM   335  H HD2  . LYS   A 1 23  ? -20.514 -1.706  3.445   1 28.104 ? 35  LYS   B HD2  1 c 1 
ATOM   336  H HD3  . LYS   A 1 23  ? -20.383 -2.165  4.957   1 29.152 ? 35  LYS   B HD3  1 c 1 
ATOM   337  H HE2  . LYS   A 1 23  ? -20.76  0.104   5.634   1 31.301 ? 35  LYS   B HE2  1 c 1 
ATOM   338  H HE3  . LYS   A 1 23  ? -20.974 0.502   4.134   1 30.312 ? 35  LYS   B HE3  1 c 1 
ATOM   339  H HZ1  . LYS   A 1 23  ? -22.688 -1.083  5.559   1 32.088 ? 35  LYS   B HZ1  1 c 1 
ATOM   340  H HZ2  . LYS   A 1 23  ? -22.885 -0.744  4.134   1 31.114 ? 35  LYS   B HZ2  1 c 1 
ATOM   341  H HZ3  . LYS   A 1 23  ? -22.958 0.314   5.162   1 32.421 ? 35  LYS   B HZ3  1 c 1 
ATOM   342  N N    . ILE   A 1 24  ? -15.776 -0.021  5.615   1 28.432 ? 36  ILE   B N    1 ? 1 
ATOM   343  C CA   . ILE   A 1 24  ? -15.868 0.8     6.782   1 30.798 ? 36  ILE   B CA   1 ? 1 
ATOM   344  C C    . ILE   A 1 24  ? -16.947 1.832   6.528   1 31.602 ? 36  ILE   B C    1 ? 1 
ATOM   345  O O    . ILE   A 1 24  ? -16.939 2.485   5.489   1 30.646 ? 36  ILE   B O    1 ? 1 
ATOM   346  C CB   . ILE   A 1 24  ? -14.544 1.514   7.111   1 32.289 ? 36  ILE   B CB   1 ? 1 
ATOM   347  C CG1  . ILE   A 1 24  ? -13.369 0.57    7.072   1 31.684 ? 36  ILE   B CG1  1 ? 1 
ATOM   348  C CG2  . ILE   A 1 24  ? -14.656 2.249   8.459   1 32.324 ? 36  ILE   B CG2  1 ? 1 
ATOM   349  C CD1  . ILE   A 1 24  ? -12.094 1.147   7.66    1 33.745 ? 36  ILE   B CD1  1 ? 1 
ATOM   350  H H    . ILE   A 1 24  ? -15.581 0.382   4.818   1 28.64  ? 36  ILE   B H    1 c 1 
ATOM   351  H HA   . ILE   A 1 24  ? -16.125 0.246   7.542   1 31.517 ? 36  ILE   B HA   1 c 1 
ATOM   352  H HB   . ILE   A 1 24  ? -14.397 2.189   6.419   1 31.524 ? 36  ILE   B HB   1 c 1 
ATOM   353  H HG12 . ILE   A 1 24  ? -13.603 -0.241  7.566   1 31.888 ? 36  ILE   B HG12 1 c 1 
ATOM   354  H HG13 . ILE   A 1 24  ? -13.2   0.316   6.142   1 30.724 ? 36  ILE   B HG13 1 c 1 
ATOM   355  H HG21 . ILE   A 1 24  ? -13.864 2.795   8.601   1 33.791 ? 36  ILE   B HG21 1 c 1 
ATOM   356  H HG22 . ILE   A 1 24  ? -14.733 1.602   9.179   1 33.488 ? 36  ILE   B HG22 1 c 1 
ATOM   357  H HG23 . ILE   A 1 24  ? -15.439 2.821   8.456   1 33.261 ? 36  ILE   B HG23 1 c 1 
ATOM   358  H HD11 . ILE   A 1 24  ? -11.976 2.064   7.346   1 33.952 ? 36  ILE   B HD11 1 c 1 
ATOM   359  H HD12 . ILE   A 1 24  ? -11.332 0.608   7.377   1 33.274 ? 36  ILE   B HD12 1 c 1 
ATOM   360  H HD13 . ILE   A 1 24  ? -12.148 1.143   8.634   1 34.773 ? 36  ILE   B HD13 1 c 1 
ATOM   361  N N    . VAL   A 1 25  ? -17.773 2.052   7.553   1 32.911 ? 37  VAL   B N    1 ? 1 
ATOM   362  C CA   . VAL   A 1 25  ? -18.723 3.144   7.52    1 34.337 ? 37  VAL   B CA   1 ? 1 
ATOM   363  C C    . VAL   A 1 25  ? -17.949 4.364   7.961   1 37.274 ? 37  VAL   B C    1 ? 1 
ATOM   364  O O    . VAL   A 1 25  ? -17.276 4.28    8.98    1 41.604 ? 37  VAL   B O    1 ? 1 
ATOM   365  C CB   . VAL   A 1 25  ? -19.944 2.94    8.432   1 33.614 ? 37  VAL   B CB   1 ? 1 
ATOM   366  C CG1  . VAL   A 1 25  ? -20.787 4.2     8.458   1 34.832 ? 37  VAL   B CG1  1 ? 1 
ATOM   367  C CG2  . VAL   A 1 25  ? -20.772 1.722   8.022   1 33.117 ? 37  VAL   B CG2  1 ? 1 
ATOM   368  H H    . VAL   A 1 25  ? -17.745 1.509   8.288   1 33.549 ? 37  VAL   B H    1 c 1 
ATOM   369  H HA   . VAL   A 1 25  ? -19.03  3.272   6.602   1 33.331 ? 37  VAL   B HA   1 c 1 
ATOM   370  H HB   . VAL   A 1 25  ? -19.603 2.783   9.344   1 34.973 ? 37  VAL   B HB   1 c 1 
ATOM   371  H HG11 . VAL   A 1 25  ? -20.835 4.579   7.564   1 34.184 ? 37  VAL   B HG11 1 c 1 
ATOM   372  H HG12 . VAL   A 1 25  ? -20.389 4.847   9.064   1 36.006 ? 37  VAL   B HG12 1 c 1 
ATOM   373  H HG13 . VAL   A 1 25  ? -21.684 3.983   8.764   1 35.438 ? 37  VAL   B HG13 1 c 1 
ATOM   374  H HG21 . VAL   A 1 25  ? -21.486 1.583   8.667   1 34.01  ? 37  VAL   B HG21 1 c 1 
ATOM   375  H HG22 . VAL   A 1 25  ? -20.202 0.934   7.997   1 32.296 ? 37  VAL   B HG22 1 c 1 
ATOM   376  H HG23 . VAL   A 1 25  ? -21.156 1.871   7.142   1 32.26  ? 37  VAL   B HG23 1 c 1 
ATOM   377  N N    . LYS   A 1 26  ? -18.053 5.461   7.201   1 38.444 ? 38  LYS   B N    1 ? 1 
ATOM   378  C CA   . LYS   A 1 26  ? -17.314 6.676   7.512   1 39.717 ? 38  LYS   B CA   1 ? 1 
ATOM   379  C C    . LYS   A 1 26  ? -18.246 7.795   7.996   1 41.914 ? 38  LYS   B C    1 ? 1 
ATOM   380  O O    . LYS   A 1 26  ? -17.805 8.704   8.709   1 43.343 ? 38  LYS   B O    1 ? 1 
ATOM   381  C CB   . LYS   A 1 26  ? -16.502 7.118   6.292   1 39.64  ? 38  LYS   B CB   1 ? 1 
ATOM   382  C CG   . LYS   A 1 26  ? -15.387 6.166   5.842   1 39.962 ? 38  LYS   B CG   1 ? 1 
ATOM   383  C CD   . LYS   A 1 26  ? -14.379 5.741   6.908   1 40.692 ? 38  LYS   B CD   1 ? 1 
ATOM   384  C CE   . LYS   A 1 26  ? -13.162 6.549   6.985   1 42.844 ? 38  LYS   B CE   1 ? 1 
ATOM   385  N NZ   . LYS   A 1 26  ? -12.321 6.022   8.059   1 46.192 ? 38  LYS   B NZ   1 ? 1 
ATOM   386  H H    . LYS   A 1 26  ? -18.588 5.446   6.461   1 37.358 ? 38  LYS   B H    1 c 1 
ATOM   387  H HA   . LYS   A 1 26  ? -16.683 6.475   8.245   1 40.643 ? 38  LYS   B HA   1 c 1 
ATOM   388  H HB2  . LYS   A 1 26  ? -17.118 7.244   5.539   1 39.26  ? 38  LYS   B HB2  1 c 1 
ATOM   389  H HB3  . LYS   A 1 26  ? -16.098 7.99    6.489   1 41.166 ? 38  LYS   B HB3  1 c 1 
ATOM   390  H HG2  . LYS   A 1 26  ? -15.808 5.359   5.474   1 38.262 ? 38  LYS   B HG2  1 c 1 
ATOM   391  H HG3  . LYS   A 1 26  ? -14.898 6.597   5.107   1 39.493 ? 38  LYS   B HG3  1 c 1 
ATOM   392  H HD2  . LYS   A 1 26  ? -14.819 5.753   7.784   1 41.717 ? 38  LYS   B HD2  1 c 1 
ATOM   393  H HD3  . LYS   A 1 26  ? -14.123 4.809   6.731   1 39.82  ? 38  LYS   B HD3  1 c 1 
ATOM   394  H HE2  . LYS   A 1 26  ? -12.676 6.509   6.143   1 42.439 ? 38  LYS   B HE2  1 c 1 
ATOM   395  H HE3  . LYS   A 1 26  ? -13.387 7.478   7.175   1 44.412 ? 38  LYS   B HE3  1 c 1 
ATOM   396  H HZ1  . LYS   A 1 26  ? -12.076 5.17    7.869   1 44.398 ? 38  LYS   B HZ1  1 c 1 
ATOM   397  H HZ2  . LYS   A 1 26  ? -12.774 6.035   8.844   1 46.159 ? 38  LYS   B HZ2  1 c 1 
ATOM   398  H HZ3  . LYS   A 1 26  ? -11.577 6.532   8.14    1 46.573 ? 38  LYS   B HZ3  1 c 1 
ATOM   399  N N    . ARG   A 1 27  ? -19.505 7.762   7.542   1 40.178 ? 39  ARG   B N    1 ? 1 
ATOM   400  C CA   . ARG   A 1 27  ? -20.548 8.616   8.055   1 39.376 ? 39  ARG   B CA   1 ? 1 
ATOM   401  C C    . ARG   A 1 27  ? -21.848 7.832   8.009   1 39.013 ? 39  ARG   B C    1 ? 1 
ATOM   402  O O    . ARG   A 1 27  ? -22.207 7.255   6.975   1 36.761 ? 39  ARG   B O    1 ? 1 
ATOM   403  C CB   . ARG   A 1 27  ? -20.7   9.881   7.219   1 40.288 ? 39  ARG   B CB   1 ? 1 
ATOM   404  C CG   . ARG   A 1 27  ? -21.656 10.87   7.875   1 43.177 ? 39  ARG   B CG   1 ? 1 
ATOM   405  C CD   . ARG   A 1 27  ? -21.948 12.07   6.996   1 44.758 ? 39  ARG   B CD   1 ? 1 
ATOM   406  N NE   . ARG   A 1 27  ? -22.743 11.648  5.825   1 45.269 ? 39  ARG   B NE   1 ? 1 
ATOM   407  C CZ   . ARG   A 1 27  ? -22.992 12.414  4.761   1 44.364 ? 39  ARG   B CZ   1 ? 1 
ATOM   408  N NH1  . ARG   A 1 27  ? -22.453 13.611  4.716   1 44.805 ? 39  ARG   B NH1  1 ? 1 
ATOM   409  N NH2  . ARG   A 1 27  ? -23.783 12.004  3.781   1 43.155 ? 39  ARG   B NH2  1 ? 1 
ATOM   410  H H    . ARG   A 1 27  ? -19.714 7.19    6.861   1 38.554 ? 39  ARG   B H    1 c 1 
ATOM   411  H HA   . ARG   A 1 27  ? -20.335 8.854   8.989   1 41.38  ? 39  ARG   B HA   1 c 1 
ATOM   412  H HB2  . ARG   A 1 27  ? -19.822 10.305  7.109   1 40.663 ? 39  ARG   B HB2  1 c 1 
ATOM   413  H HB3  . ARG   A 1 27  ? -21.039 9.644   6.329   1 39.334 ? 39  ARG   B HB3  1 c 1 
ATOM   414  H HG2  . ARG   A 1 27  ? -22.502 10.416  8.083   1 43.123 ? 39  ARG   B HG2  1 c 1 
ATOM   415  H HG3  . ARG   A 1 27  ? -21.267 11.181  8.72    1 44.421 ? 39  ARG   B HG3  1 c 1 
ATOM   416  H HD2  . ARG   A 1 27  ? -22.447 12.742  7.505   1 46.736 ? 39  ARG   B HD2  1 c 1 
ATOM   417  H HD3  . ARG   A 1 27  ? -21.108 12.471  6.694   1 45.099 ? 39  ARG   B HD3  1 c 1 
ATOM   418  H HE   . ARG   A 1 27  ? -23.075 10.843  5.825   1 43.478 ? 39  ARG   B HE   1 c 1 
ATOM   419  H HH11 . ARG   A 1 27  ? -22.709 14.23   5.294   1 46.73  ? 39  ARG   B HH11 1 c 1 
ATOM   420  H HH12 . ARG   A 1 27  ? -21.839 13.793  4.107   1 44.849 ? 39  ARG   B HH12 1 c 1 
ATOM   421  H HH21 . ARG   A 1 27  ? -23.902 11.139  3.644   1 41.99  ? 39  ARG   B HH21 1 c 1 
ATOM   422  H HH22 . ARG   A 1 27  ? -24.188 12.599  3.267   1 44.115 ? 39  ARG   B HH22 1 c 1 
ATOM   423  N N    . VAL   A 1 28  ? -22.551 7.855   9.141   1 41.029 ? 40  VAL   B N    1 ? 1 
ATOM   424  C CA   . VAL   A 1 28  ? -23.75  7.056   9.326   1 41.242 ? 40  VAL   B CA   1 ? 1 
ATOM   425  C C    . VAL   A 1 28  ? -24.937 7.696   8.609   1 42.997 ? 40  VAL   B C    1 ? 1 
ATOM   426  O O    . VAL   A 1 28  ? -25.095 8.915   8.642   1 42.992 ? 40  VAL   B O    1 ? 1 
ATOM   427  C CB   . VAL   A 1 28  ? -23.953 6.909   10.841  1 42.078 ? 40  VAL   B CB   1 ? 1 
ATOM   428  C CG1  . VAL   A 1 28  ? -25.266 6.217   11.178  1 43.185 ? 40  VAL   B CG1  1 ? 1 
ATOM   429  C CG2  . VAL   A 1 28  ? -22.767 6.165   11.443  1 40.658 ? 40  VAL   B CG2  1 ? 1 
ATOM   430  H H    . VAL   A 1 28  ? -22.281 8.403   9.82    1 42.264 ? 40  VAL   B H    1 c 1 
ATOM   431  H HA   . VAL   A 1 28  ? -23.59  6.173   8.946   1 39.89  ? 40  VAL   B HA   1 c 1 
ATOM   432  H HB   . VAL   A 1 28  ? -23.977 7.817   11.225  1 43.631 ? 40  VAL   B HB   1 c 1 
ATOM   433  H HG11 . VAL   A 1 28  ? -25.402 5.466   10.578  1 41.814 ? 40  VAL   B HG11 1 c 1 
ATOM   434  H HG12 . VAL   A 1 28  ? -25.999 6.847   11.081  1 44.144 ? 40  VAL   B HG12 1 c 1 
ATOM   435  H HG13 . VAL   A 1 28  ? -25.237 5.896   12.095  1 44.142 ? 40  VAL   B HG13 1 c 1 
ATOM   436  H HG21 . VAL   A 1 28  ? -22.924 6.016   12.39   1 42.333 ? 40  VAL   B HG21 1 c 1 
ATOM   437  H HG22 . VAL   A 1 28  ? -21.958 6.69    11.331  1 41     ? 40  VAL   B HG22 1 c 1 
ATOM   438  H HG23 . VAL   A 1 28  ? -22.66  5.309   10.995  1 39.503 ? 40  VAL   B HG23 1 c 1 
ATOM   439  N N    . GLY   A 1 29  ? -25.765 6.857   7.968   1 43.923 ? 41  GLY   B N    1 ? 1 
ATOM   440  C CA   . GLY   A 1 29  ? -26.996 7.323   7.346   1 45.238 ? 41  GLY   B CA   1 ? 1 
ATOM   441  C C    . GLY   A 1 29  ? -28.158 7.33    8.337   1 48.759 ? 41  GLY   B C    1 ? 1 
ATOM   442  O O    . GLY   A 1 29  ? -27.959 7.351   9.553   1 45.662 ? 41  GLY   B O    1 ? 1 
ATOM   443  H H    . GLY   A 1 29  ? -25.556 5.968   7.919   1 42.42  ? 41  GLY   B H    1 c 1 
ATOM   444  H HA2  . GLY   A 1 29  ? -26.859 8.232   6.991   1 45.848 ? 41  GLY   B HA2  1 c 1 
ATOM   445  H HA3  . GLY   A 1 29  ? -27.215 6.732   6.587   1 44.407 ? 41  GLY   B HA3  1 c 1 
ATOM   446  N N    . ASN   A 1 30  ? -29.38  7.279   7.777   1 53.823 ? 42  ASN   B N    1 ? 1 
ATOM   447  C CA   . ASN   A 1 30  ? -30.616 7.343   8.539   1 56.279 ? 42  ASN   B CA   1 ? 1 
ATOM   448  C C    . ASN   A 1 30  ? -31.57  6.214   8.162   1 57.138 ? 42  ASN   B C    1 ? 1 
ATOM   449  O O    . ASN   A 1 30  ? -31.513 5.652   7.072   1 58.474 ? 42  ASN   B O    1 ? 1 
ATOM   450  C CB   . ASN   A 1 30  ? -31.37  8.635   8.272   1 58.213 ? 42  ASN   B CB   1 ? 1 
ATOM   451  C CG   . ASN   A 1 30  ? -30.466 9.825   8.424   1 59.695 ? 42  ASN   B CG   1 ? 1 
ATOM   452  O OD1  . ASN   A 1 30  ? -30.005 10.359  7.412   1 60.055 ? 42  ASN   B OD1  1 ? 1 
ATOM   453  N ND2  . ASN   A 1 30  ? -30.182 10.235  9.655   1 60.721 ? 42  ASN   B ND2  1 ? 1 
ATOM   454  H H    . ASN   A 1 30  ? -29.439 7.202   6.868   1 51.773 ? 42  ASN   B H    1 c 1 
ATOM   455  H HA   . ASN   A 1 30  ? -30.412 7.296   9.5     1 57.127 ? 42  ASN   B HA   1 c 1 
ATOM   456  H HB2  . ASN   A 1 30  ? -31.733 8.618   7.364   1 58.129 ? 42  ASN   B HB2  1 c 1 
ATOM   457  H HB3  . ASN   A 1 30  ? -32.116 8.712   8.899   1 60.343 ? 42  ASN   B HB3  1 c 1 
ATOM   458  H HD21 . ASN   A 1 30  ? -29.651 10.935  9.776   1 61.204 ? 42  ASN   B HD21 1 c 1 
ATOM   459  H HD22 . ASN   A 1 30  ? -30.523 9.809   10.355  1 61.653 ? 42  ASN   B HD22 1 c 1 
ATOM   460  N N    . GLY   A 1 31  ? -32.511 5.943   9.06    1 60.27  ? 43  GLY   B N    1 ? 1 
ATOM   461  C CA   . GLY   A 1 31  ? -33.451 4.861   8.857   1 62.959 ? 43  GLY   B CA   1 ? 1 
ATOM   462  C C    . GLY   A 1 31  ? -32.832 3.538   9.285   1 65.126 ? 43  GLY   B C    1 ? 1 
ATOM   463  O O    . GLY   A 1 31  ? -31.655 3.48    9.638   1 67.383 ? 43  GLY   B O    1 ? 1 
ATOM   464  H H    . GLY   A 1 31  ? -32.571 6.445   9.821   1 61.847 ? 43  GLY   B H    1 c 1 
ATOM   465  H HA2  . GLY   A 1 31  ? -34.265 5.034   9.385   1 65.315 ? 43  GLY   B HA2  1 c 1 
ATOM   466  H HA3  . GLY   A 1 31  ? -33.706 4.819   7.905   1 62.532 ? 43  GLY   B HA3  1 c 1 
ATOM   467  N N    . GLU   A 1 32  ? -33.679 2.505   9.335   1 68.234 ? 44  GLU   B N    1 ? 1 
ATOM   468  C CA   . GLU   A 1 32  ? -33.225 1.128   9.239   1 66.111 ? 44  GLU   B CA   1 ? 1 
ATOM   469  C C    . GLU   A 1 32  ? -33.184 0.719   7.751   1 58.27  ? 44  GLU   B C    1 ? 1 
ATOM   470  O O    . GLU   A 1 32  ? -32.36  -0.095  7.366   1 59.947 ? 44  GLU   B O    1 ? 1 
ATOM   471  C CB   . GLU   A 1 32  ? -34.092 0.353   10.234  1 67.038 ? 44  GLU   B CB   1 ? 1 
ATOM   472  H H    . GLU   A 1 32  ? -34.574 2.669   9.43    1 69.171 ? 44  GLU   B H    1 c 1 
ATOM   473  H HA   . GLU   A 1 32  ? -32.296 1.09    9.583   1 63.628 ? 44  GLU   B HA   1 c 1 
ATOM   474  H HB2  . GLU   A 1 32  ? -33.521 -0.11   10.867  0 30     ? 44  GLU   B HB2  1 c 1 
ATOM   475  H HB3  . GLU   A 1 32  ? -35.041 0.561   10.038  0 30     ? 44  GLU   B HB3  1 c 1 
ATOM   476  N N    . GLU   A 1 33  ? -33.976 1.375   6.889   1 53.521 ? 45  GLU   B N    1 ? 1 
ATOM   477  C CA   . GLU   A 1 33  ? -34.221 0.931   5.524   1 50.389 ? 45  GLU   B CA   1 ? 1 
ATOM   478  C C    . GLU   A 1 33  ? -32.945 0.995   4.7     1 47.931 ? 45  GLU   B C    1 ? 1 
ATOM   479  O O    . GLU   A 1 33  ? -32.246 2.008   4.708   1 48.57  ? 45  GLU   B O    1 ? 1 
ATOM   480  C CB   . GLU   A 1 33  ? -35.249 1.773   4.763   1 50.935 ? 45  GLU   B CB   1 ? 1 
ATOM   481  H H    . GLU   A 1 33  ? -34.382 2.144   7.17    1 55.634 ? 45  GLU   B H    1 c 1 
ATOM   482  H HA   . GLU   A 1 33  ? -34.537 -0.007  5.557   1 51.086 ? 45  GLU   B HA   1 c 1 
ATOM   483  H HB2  . GLU   A 1 33  ? -34.776 2.377   4.251   0 30     ? 45  GLU   B HB2  1 c 1 
ATOM   484  H HB3  . GLU   A 1 33  ? -36.111 1.414   5.11    0 30     ? 45  GLU   B HB3  1 c 1 
ATOM   485  N N    . THR   A 1 34  ? -32.638 -0.117  4.019   1 45.393 ? 46  THR   B N    1 ? 1 
ATOM   486  C CA   . THR   A 1 34  ? -31.574 -0.162  3.031   1 42.466 ? 46  THR   B CA   1 ? 1 
ATOM   487  C C    . THR   A 1 34  ? -32.172 -0.686  1.736   1 44.521 ? 46  THR   B C    1 ? 1 
ATOM   488  O O    . THR   A 1 34  ? -33.209 -1.337  1.747   1 49.556 ? 46  THR   B O    1 ? 1 
ATOM   489  C CB   . THR   A 1 34  ? -30.404 -1.044  3.464   1 38.397 ? 46  THR   B CB   1 ? 1 
ATOM   490  O OG1  . THR   A 1 34  ? -31.006 -2.319  3.502   1 40.016 ? 46  THR   B OG1  1 ? 1 
ATOM   491  C CG2  . THR   A 1 34  ? -29.847 -0.72   4.831   1 38.718 ? 46  THR   B CG2  1 ? 1 
ATOM   492  H H    . THR   A 1 34  ? -33.112 -0.882  4.181   1 46.391 ? 46  THR   B H    1 c 1 
ATOM   493  H HA   . THR   A 1 34  ? -31.243 0.75    2.882   1 42.141 ? 46  THR   B HA   1 c 1 
ATOM   494  H HB   . THR   A 1 34  ? -29.678 -1.037  2.797   1 37.533 ? 46  THR   B HB   1 c 1 
ATOM   495  H HG1  . THR   A 1 34  ? -31.63  -2.356  4.116   0 30     ? 46  THR   B HG1  1 c 1 
ATOM   496  H HG21 . THR   A 1 34  ? -29.011 -1.198  4.963   1 37.531 ? 46  THR   B HG21 1 c 1 
ATOM   497  H HG22 . THR   A 1 34  ? -30.485 -0.991  5.514   1 40.173 ? 46  THR   B HG22 1 c 1 
ATOM   498  H HG23 . THR   A 1 34  ? -29.688 0.236   4.9     1 38.799 ? 46  THR   B HG23 1 c 1 
ATOM   499  N N    . PRO   A 1 35  ? -31.516 -0.481  0.578   1 45.604 ? 47  PRO   B N    1 ? 1 
ATOM   500  C CA   . PRO   A 1 35  ? -32.127 -0.828  -0.693  1 50.243 ? 47  PRO   B CA   1 ? 1 
ATOM   501  C C    . PRO   A 1 35  ? -32.217 -2.325  -0.938  1 52.026 ? 47  PRO   B C    1 ? 1 
ATOM   502  O O    . PRO   A 1 35  ? -31.32  -3.08   -0.569  1 50.902 ? 47  PRO   B O    1 ? 1 
ATOM   503  C CB   . PRO   A 1 35  ? -31.225 -0.206  -1.747  1 48.666 ? 47  PRO   B CB   1 ? 1 
ATOM   504  C CG   . PRO   A 1 35  ? -29.897 -0.095  -1.061  1 44.78  ? 47  PRO   B CG   1 ? 1 
ATOM   505  C CD   . PRO   A 1 35  ? -30.156 0.045   0.421   1 43.421 ? 47  PRO   B CD   1 ? 1 
ATOM   506  H HA   . PRO   A 1 35  ? -33.018 -0.43   -0.742  1 51.182 ? 47  PRO   B HA   1 c 1 
ATOM   507  H HB2  . PRO   A 1 35  ? -31.167 -0.773  -2.538  1 47.818 ? 47  PRO   B HB2  1 c 1 
ATOM   508  H HB3  . PRO   A 1 35  ? -31.555 0.674   -2.013  1 48.972 ? 47  PRO   B HB3  1 c 1 
ATOM   509  H HG2  . PRO   A 1 35  ? -29.359 -0.889  -1.234  1 43.491 ? 47  PRO   B HG2  1 c 1 
ATOM   510  H HG3  . PRO   A 1 35  ? -29.409 0.686   -1.391  1 44.196 ? 47  PRO   B HG3  1 c 1 
ATOM   511  H HD2  . PRO   A 1 35  ? -29.518 -0.48   0.936   1 42.91  ? 47  PRO   B HD2  1 c 1 
ATOM   512  H HD3  . PRO   A 1 35  ? -30.111 0.978   0.704   1 44.289 ? 47  PRO   B HD3  1 c 1 
ATOM   513  N N    . MET   A 1 36  ? -33.344 -2.703  -1.536  1 52.934 ? 48  MET   B N    1 ? 1 
ATOM   514  C CA   . MET   A 1 36  ? -33.594 -4.035  -2.021  1 50.148 ? 48  MET   B CA   1 ? 1 
ATOM   515  C C    . MET   A 1 36  ? -33.104 -4.09   -3.456  1 46.847 ? 48  MET   B C    1 ? 1 
ATOM   516  O O    . MET   A 1 36  ? -32.966 -3.056  -4.099  1 44.724 ? 48  MET   B O    1 ? 1 
ATOM   517  C CB   . MET   A 1 36  ? -35.101 -4.274  -2.004  1 58.111 ? 48  MET   B CB   1 ? 1 
ATOM   518  C CG   . MET   A 1 36  ? -35.741 -4.085  -0.643  1 61.238 ? 48  MET   B CG   1 ? 1 
ATOM   519  S SD   . MET   A 1 36  ? -35.171 -5.34   0.52    1 65.936 ? 48  MET   B SD   1 ? 1 
ATOM   520  C CE   . MET   A 1 36  ? -35.611 -4.639  2.121   1 69.23  ? 48  MET   B CE   1 ? 1 
ATOM   521  H H    . MET   A 1 36  ? -34.004 -2.08   -1.644  1 53.679 ? 48  MET   B H    1 c 1 
ATOM   522  H HA   . MET   A 1 36  ? -33.118 -4.698  -1.459  1 50.397 ? 48  MET   B HA   1 c 1 
ATOM   523  H HB2  . MET   A 1 36  ? -35.523 -3.659  -2.641  1 58.02  ? 48  MET   B HB2  1 c 1 
ATOM   524  H HB3  . MET   A 1 36  ? -35.276 -5.189  -2.313  1 57.75  ? 48  MET   B HB3  1 c 1 
ATOM   525  H HG2  . MET   A 1 36  ? -35.52  -3.2    -0.292  1 61.276 ? 48  MET   B HG2  1 c 1 
ATOM   526  H HG3  . MET   A 1 36  ? -36.713 -4.146  -0.726  1 63.951 ? 48  MET   B HG3  1 c 1 
ATOM   527  H HE1  . MET   A 1 36  ? -35.343 -5.254  2.829   1 68.76  ? 48  MET   B HE1  1 c 1 
ATOM   528  H HE2  . MET   A 1 36  ? -35.152 -3.787  2.239   1 67.721 ? 48  MET   B HE2  1 c 1 
ATOM   529  H HE3  . MET   A 1 36  ? -36.575 -4.498  2.159   1 70.893 ? 48  MET   B HE3  1 c 1 
ATOM   530  N N    . ILE   A 1 37  ? -32.859 -5.306  -3.932  1 44.92  ? 49  ILE   B N    1 ? 1 
ATOM   531  C CA   . ILE   A 1 37  ? -32.611 -5.567  -5.338  1 45.172 ? 49  ILE   B CA   1 ? 1 
ATOM   532  C C    . ILE   A 1 37  ? -33.699 -4.907  -6.19   1 47.371 ? 49  ILE   B C    1 ? 1 
ATOM   533  O O    . ILE   A 1 37  ? -34.898 -5.05   -5.909  1 50.583 ? 49  ILE   B O    1 ? 1 
ATOM   534  C CB   . ILE   A 1 37  ? -32.619 -7.09   -5.587  1 47.799 ? 49  ILE   B CB   1 ? 1 
ATOM   535  C CG1  . ILE   A 1 37  ? -31.74  -7.877  -4.613  1 46.232 ? 49  ILE   B CG1  1 ? 1 
ATOM   536  C CG2  . ILE   A 1 37  ? -32.326 -7.432  -7.057  1 48.581 ? 49  ILE   B CG2  1 ? 1 
ATOM   537  C CD1  . ILE   A 1 37  ? -30.385 -7.266  -4.317  1 46.364 ? 49  ILE   B CD1  1 ? 1 
ATOM   538  H H    . ILE   A 1 37  ? -32.856 -6.009  -3.349  1 45.626 ? 49  ILE   B H    1 c 1 
ATOM   539  H HA   . ILE   A 1 37  ? -31.738 -5.203  -5.583  1 43.856 ? 49  ILE   B HA   1 c 1 
ATOM   540  H HB   . ILE   A 1 37  ? -33.536 -7.385  -5.417  1 49.396 ? 49  ILE   B HB   1 c 1 
ATOM   541  H HG12 . ILE   A 1 37  ? -32.225 -7.98   -3.77   1 47.728 ? 49  ILE   B HG12 1 c 1 
ATOM   542  H HG13 . ILE   A 1 37  ? -31.598 -8.773  -4.98   1 46.972 ? 49  ILE   B HG13 1 c 1 
ATOM   543  H HG21 . ILE   A 1 37  ? -32.033 -8.356  -7.126  1 48.104 ? 49  ILE   B HG21 1 c 1 
ATOM   544  H HG22 . ILE   A 1 37  ? -31.625 -6.848  -7.393  1 46.976 ? 49  ILE   B HG22 1 c 1 
ATOM   545  H HG23 . ILE   A 1 37  ? -33.13  -7.309  -7.588  1 50.071 ? 49  ILE   B HG23 1 c 1 
ATOM   546  H HD11 . ILE   A 1 37  ? -30.04  -6.828  -5.119  1 44.854 ? 49  ILE   B HD11 1 c 1 
ATOM   547  H HD12 . ILE   A 1 37  ? -29.764 -7.965  -4.038  1 44.665 ? 49  ILE   B HD12 1 c 1 
ATOM   548  H HD13 . ILE   A 1 37  ? -30.473 -6.607  -3.602  1 45.442 ? 49  ILE   B HD13 1 c 1 
ATOM   549  N N    . GLY   A 1 38  ? -33.286 -4.241  -7.274  1 46.381 ? 50  GLY   B N    1 ? 1 
ATOM   550  C CA   . GLY   A 1 38  ? -34.233 -3.617  -8.194  1 49.391 ? 50  GLY   B CA   1 ? 1 
ATOM   551  C C    . GLY   A 1 38  ? -34.533 -2.16   -7.843  1 49.897 ? 50  GLY   B C    1 ? 1 
ATOM   552  O O    . GLY   A 1 38  ? -35.058 -1.434  -8.68   1 56.289 ? 50  GLY   B O    1 ? 1 
ATOM   553  H H    . GLY   A 1 38  ? -32.391 -4.172  -7.449  1 45.021 ? 50  GLY   B H    1 c 1 
ATOM   554  H HA2  . GLY   A 1 38  ? -33.861 -3.66   -9.106  1 48.978 ? 50  GLY   B HA2  1 c 1 
ATOM   555  H HA3  . GLY   A 1 38  ? -35.073 -4.133  -8.19   1 51.005 ? 50  GLY   B HA3  1 c 1 
ATOM   556  N N    . ASP   A 1 39  ? -34.191 -1.74   -6.617  1 45.769 ? 51  ASP   B N    1 ? 1 
ATOM   557  C CA   . ASP   A 1 39  ? -34.302 -0.349  -6.218  1 45.926 ? 51  ASP   B CA   1 ? 1 
ATOM   558  C C    . ASP   A 1 39  ? -33.511 0.519   -7.2    1 43.1   ? 51  ASP   B C    1 ? 1 
ATOM   559  O O    . ASP   A 1 39  ? -32.528 0.046   -7.769  1 41.125 ? 51  ASP   B O    1 ? 1 
ATOM   560  C CB   . ASP   A 1 39  ? -33.886 -0.165  -4.758  1 45.007 ? 51  ASP   B CB   1 ? 1 
ATOM   561  C CG   . ASP   A 1 39  ? -34.906 -0.618  -3.713  1 46.165 ? 51  ASP   B CG   1 ? 1 
ATOM   562  O OD1  . ASP   A 1 39  ? -36.055 -0.966  -4.103  1 46.242 ? 51  ASP   B OD1  1 ? 1 
ATOM   563  O OD2  . ASP   A 1 39  ? -34.546 -0.602  -2.503  1 45.608 ? 51  ASP   B OD2  1 ? 1 
ATOM   564  H H    . ASP   A 1 39  ? -33.883 -2.344  -6.006  1 45.491 ? 51  ASP   B H    1 c 1 
ATOM   565  H HA   . ASP   A 1 39  ? -35.249 -0.093  -6.283  1 47.636 ? 51  ASP   B HA   1 c 1 
ATOM   566  H HB2  . ASP   A 1 39  ? -33.046 -0.644  -4.603  1 43.066 ? 51  ASP   B HB2  1 c 1 
ATOM   567  H HB3  . ASP   A 1 39  ? -33.713 0.788   -4.608  1 44.768 ? 51  ASP   B HB3  1 c 1 
ATOM   568  N N    . LYS   A 1 40  ? -34.009 1.748   -7.462  1 43.281 ? 52  LYS   B N    1 ? 1 
ATOM   569  C CA   . LYS   A 1 40  ? -33.257 2.787   -8.158  1 41.419 ? 52  LYS   B CA   1 ? 1 
ATOM   570  C C    . LYS   A 1 40  ? -32.44  3.488   -7.076  1 39.712 ? 52  LYS   B C    1 ? 1 
ATOM   571  O O    . LYS   A 1 40  ? -32.98  3.831   -6.017  1 39.505 ? 52  LYS   B O    1 ? 1 
ATOM   572  C CB   . LYS   A 1 40  ? -34.103 3.757   -9.004  1 42.548 ? 52  LYS   B CB   1 ? 1 
ATOM   573  H H    . LYS   A 1 40  ? -34.859 1.941   -7.189  1 44.947 ? 52  LYS   B H    1 c 1 
ATOM   574  H HA   . LYS   A 1 40  ? -32.627 2.339   -8.777  1 40.341 ? 52  LYS   B HA   1 c 1 
ATOM   575  H HB2  . LYS   A 1 40  ? -33.51  4.362   -9.5    0 30     ? 52  LYS   B HB2  1 c 1 
ATOM   576  H HB3  . LYS   A 1 40  ? -35.051 3.571   -8.826  0 30     ? 52  LYS   B HB3  1 c 1 
ATOM   577  N N    . VAL   A 1 41  ? -31.127 3.613   -7.347  1 38.652 ? 53  VAL   B N    1 ? 1 
ATOM   578  C CA   . VAL   A 1 41  ? -30.123 4.076   -6.389  1 38.016 ? 53  VAL   B CA   1 ? 1 
ATOM   579  C C    . VAL   A 1 41  ? -29.336 5.301   -6.896  1 38.794 ? 53  VAL   B C    1 ? 1 
ATOM   580  O O    . VAL   A 1 41  ? -28.855 5.328   -8.036  1 36.812 ? 53  VAL   B O    1 ? 1 
ATOM   581  C CB   . VAL   A 1 41  ? -29.125 2.96    -6.05   1 35.696 ? 53  VAL   B CB   1 ? 1 
ATOM   582  C CG1  . VAL   A 1 41  ? -28.07  3.51    -5.118  1 35.184 ? 53  VAL   B CG1  1 ? 1 
ATOM   583  C CG2  . VAL   A 1 41  ? -29.781 1.751   -5.416  1 35.983 ? 53  VAL   B CG2  1 ? 1 
ATOM   584  H H    . VAL   A 1 41  ? -30.842 3.399   -8.189  1 38.479 ? 53  VAL   B H    1 c 1 
ATOM   585  H HA   . VAL   A 1 41  ? -30.585 4.329   -5.567  1 38.532 ? 53  VAL   B HA   1 c 1 
ATOM   586  H HB   . VAL   A 1 41  ? -28.691 2.681   -6.89   1 35.418 ? 53  VAL   B HB   1 c 1 
ATOM   587  H HG11 . VAL   A 1 41  ? -28.488 4.079   -4.452  1 35.782 ? 53  VAL   B HG11 1 c 1 
ATOM   588  H HG12 . VAL   A 1 41  ? -27.422 4.026   -5.626  1 34.694 ? 53  VAL   B HG12 1 c 1 
ATOM   589  H HG13 . VAL   A 1 41  ? -27.616 2.776   -4.674  1 33.765 ? 53  VAL   B HG13 1 c 1 
ATOM   590  H HG21 . VAL   A 1 41  ? -29.1   1.104   -5.167  1 34.529 ? 53  VAL   B HG21 1 c 1 
ATOM   591  H HG22 . VAL   A 1 41  ? -30.396 1.344   -6.051  1 36.794 ? 53  VAL   B HG22 1 c 1 
ATOM   592  H HG23 . VAL   A 1 41  ? -30.272 2.025   -4.623  1 36.602 ? 53  VAL   B HG23 1 c 1 
ATOM   593  N N    . TYR   A 1 42  ? -29.104 6.257   -5.974  1 40.191 ? 54  TYR   B N    1 ? 1 
ATOM   594  C CA   . TYR   A 1 42  ? -28.453 7.531   -6.255  1 40.95  ? 54  TYR   B CA   1 ? 1 
ATOM   595  C C    . TYR   A 1 42  ? -27.263 7.737   -5.328  1 38.712 ? 54  TYR   B C    1 ? 1 
ATOM   596  O O    . TYR   A 1 42  ? -27.412 7.791   -4.11   1 40.041 ? 54  TYR   B O    1 ? 1 
ATOM   597  C CB   . TYR   A 1 42  ? -29.429 8.681   -6.001  1 44.81  ? 54  TYR   B CB   1 ? 1 
ATOM   598  C CG   . TYR   A 1 42  ? -30.709 8.676   -6.826  1 46.797 ? 54  TYR   B CG   1 ? 1 
ATOM   599  C CD1  . TYR   A 1 42  ? -31.82  7.944   -6.441  1 48.777 ? 54  TYR   B CD1  1 ? 1 
ATOM   600  C CD2  . TYR   A 1 42  ? -30.819 9.454   -7.965  1 49.814 ? 54  TYR   B CD2  1 ? 1 
ATOM   601  C CE1  . TYR   A 1 42  ? -32.986 7.943   -7.2    1 51.953 ? 54  TYR   B CE1  1 ? 1 
ATOM   602  C CE2  . TYR   A 1 42  ? -31.979 9.479   -8.722  1 53.166 ? 54  TYR   B CE2  1 ? 1 
ATOM   603  C CZ   . TYR   A 1 42  ? -33.063 8.711   -8.349  1 53.351 ? 54  TYR   B CZ   1 ? 1 
ATOM   604  O OH   . TYR   A 1 42  ? -34.177 8.803   -9.125  1 54.945 ? 54  TYR   B OH   1 ? 1 
ATOM   605  H H    . TYR   A 1 42  ? -29.372 6.098   -5.115  1 39.814 ? 54  TYR   B H    1 c 1 
ATOM   606  H HA   . TYR   A 1 42  ? -28.153 7.553   -7.201  1 41.072 ? 54  TYR   B HA   1 c 1 
ATOM   607  H HB2  . TYR   A 1 42  ? -29.675 8.671   -5.05   1 44.411 ? 54  TYR   B HB2  1 c 1 
ATOM   608  H HB3  . TYR   A 1 42  ? -28.956 9.527   -6.168  1 44.967 ? 54  TYR   B HB3  1 c 1 
ATOM   609  H HD1  . TYR   A 1 42  ? -31.772 7.402   -5.67   1 47.655 ? 54  TYR   B HD1  1 c 1 
ATOM   610  H HD2  . TYR   A 1 42  ? -30.081 9.973   -8.24   1 49.566 ? 54  TYR   B HD2  1 c 1 
ATOM   611  H HE1  . TYR   A 1 42  ? -33.726 7.429   -6.927  1 52.263 ? 54  TYR   B HE1  1 c 1 
ATOM   612  H HE2  . TYR   A 1 42  ? -32.023 10.008  -9.501  1 54.129 ? 54  TYR   B HE2  1 c 1 
ATOM   613  H HH   . TYR   A 1 42  ? -34.815 8.286   -8.77   0 30     ? 54  TYR   B HH   1 c 1 
ATOM   614  N N    . VAL   A 1 43  ? -26.085 7.923   -5.923  1 37.075 ? 55  VAL   B N    1 ? 1 
ATOM   615  C CA   . VAL   A 1 43  ? -24.865 8.044   -5.145  1 34.773 ? 55  VAL   B CA   1 ? 1 
ATOM   616  C C    . VAL   A 1 43  ? -23.98  9.145   -5.707  1 35.584 ? 55  VAL   B C    1 ? 1 
ATOM   617  O O    . VAL   A 1 43  ? -24.028 9.439   -6.9    1 36.422 ? 55  VAL   B O    1 ? 1 
ATOM   618  C CB   . VAL   A 1 43  ? -24.045 6.753   -5.186  1 31.653 ? 55  VAL   B CB   1 ? 1 
ATOM   619  C CG1  . VAL   A 1 43  ? -24.797 5.61    -4.533  1 31.143 ? 55  VAL   B CG1  1 ? 1 
ATOM   620  C CG2  . VAL   A 1 43  ? -23.637 6.435   -6.63   1 31.1   ? 55  VAL   B CG2  1 ? 1 
ATOM   621  H H    . VAL   A 1 43  ? -26.04  7.987   -6.834  1 37.406 ? 55  VAL   B H    1 c 1 
ATOM   622  H HA   . VAL   A 1 43  ? -25.092 8.253   -4.222  1 35.048 ? 55  VAL   B HA   1 c 1 
ATOM   623  H HB   . VAL   A 1 43  ? -23.223 6.911   -4.666  1 31.272 ? 55  VAL   B HB   1 c 1 
ATOM   624  H HG11 . VAL   A 1 43  ? -25.576 5.385   -5.069  1 31.718 ? 55  VAL   B HG11 1 c 1 
ATOM   625  H HG12 . VAL   A 1 43  ? -25.083 5.876   -3.643  1 31.494 ? 55  VAL   B HG12 1 c 1 
ATOM   626  H HG13 . VAL   A 1 43  ? -24.216 4.834   -4.467  1 29.836 ? 55  VAL   B HG13 1 c 1 
ATOM   627  H HG21 . VAL   A 1 43  ? -23.277 5.533   -6.671  1 30.014 ? 55  VAL   B HG21 1 c 1 
ATOM   628  H HG22 . VAL   A 1 43  ? -22.958 7.065   -6.925  1 31.648 ? 55  VAL   B HG22 1 c 1 
ATOM   629  H HG23 . VAL   A 1 43  ? -24.411 6.497   -7.211  1 32.208 ? 55  VAL   B HG23 1 c 1 
ATOM   630  N N    . HIS   A 1 44  ? -23.145 9.693   -4.825  1 34.707 ? 56  HIS   B N    1 ? 1 
ATOM   631  C CA   . HIS   A 1 44  ? -21.873 10.239  -5.241  1 37.378 ? 56  HIS   B CA   1 ? 1 
ATOM   632  C C    . HIS   A 1 44  ? -20.817 9.234   -4.809  1 36.09  ? 56  HIS   B C    1 ? 1 
ATOM   633  O O    . HIS   A 1 44  ? -20.98  8.554   -3.816  1 34.686 ? 56  HIS   B O    1 ? 1 
ATOM   634  C CB   . HIS   A 1 44  ? -21.598 11.643  -4.677  1 39.336 ? 56  HIS   B CB   1 ? 1 
ATOM   635  C CG   . HIS   A 1 44  ? -22.336 12.694  -5.416  1 40.105 ? 56  HIS   B CG   1 ? 1 
ATOM   636  N ND1  . HIS   A 1 44  ? -22.153 12.88   -6.772  1 41.484 ? 56  HIS   B ND1  1 ? 1 
ATOM   637  C CD2  . HIS   A 1 44  ? -23.313 13.502  -5.054  1 41.366 ? 56  HIS   B CD2  1 ? 1 
ATOM   638  C CE1  . HIS   A 1 44  ? -22.954 13.841  -7.187  1 43.008 ? 56  HIS   B CE1  1 ? 1 
ATOM   639  N NE2  . HIS   A 1 44  ? -23.667 14.242  -6.157  1 43.455 ? 56  HIS   B NE2  1 ? 1 
ATOM   640  H H    . HIS   A 1 44  ? -23.376 9.73    -3.941  1 35.446 ? 56  HIS   B H    1 c 1 
ATOM   641  H HA   . HIS   A 1 44  ? -21.867 10.287  -6.227  1 37.439 ? 56  HIS   B HA   1 c 1 
ATOM   642  H HB2  . HIS   A 1 44  ? -21.866 11.665  -3.732  1 38.918 ? 56  HIS   B HB2  1 c 1 
ATOM   643  H HB3  . HIS   A 1 44  ? -20.635 11.826  -4.733  1 38.922 ? 56  HIS   B HB3  1 c 1 
ATOM   644  H HD1  . HIS   A 1 44  ? -21.562 12.45   -7.303  0 30     ? 56  HIS   B HD1  1 c 1 
ATOM   645  H HD2  . HIS   A 1 44  ? -23.665 13.604  -4.191  1 41.679 ? 56  HIS   B HD2  1 c 1 
ATOM   646  H HE1  . HIS   A 1 44  ? -23.006 14.179  -8.064  1 44.374 ? 56  HIS   B HE1  1 c 1 
ATOM   647  H HE2  . HIS   A 1 44  ? -24.256 14.879  -6.201  0 30     ? 56  HIS   B HE2  1 c 1 
ATOM   648  N N    . TYR   A 1 45  ? -19.737 9.16    -5.578  1 37.921 ? 57  TYR   B N    1 ? 1 
ATOM   649  C CA   . TYR   A 1 45  ? -18.623 8.289   -5.249  1 35.808 ? 57  TYR   B CA   1 ? 1 
ATOM   650  C C    . TYR   A 1 45  ? -17.319 8.938   -5.713  1 35.693 ? 57  TYR   B C    1 ? 1 
ATOM   651  O O    . TYR   A 1 45  ? -17.317 9.873   -6.536  1 35.008 ? 57  TYR   B O    1 ? 1 
ATOM   652  C CB   . TYR   A 1 45  ? -18.787 6.914   -5.901  1 32.579 ? 57  TYR   B CB   1 ? 1 
ATOM   653  C CG   . TYR   A 1 45  ? -18.536 6.877   -7.403  1 30.907 ? 57  TYR   B CG   1 ? 1 
ATOM   654  C CD1  . TYR   A 1 45  ? -17.309 6.709   -7.955  1 30.356 ? 57  TYR   B CD1  1 ? 1 
ATOM   655  C CD2  . TYR   A 1 45  ? -19.538 7.016   -8.312  1 31.713 ? 57  TYR   B CD2  1 ? 1 
ATOM   656  C CE1  . TYR   A 1 45  ? -17.092 6.644   -9.326  1 30.754 ? 57  TYR   B CE1  1 ? 1 
ATOM   657  C CE2  . TYR   A 1 45  ? -19.341 6.966   -9.686  1 31.487 ? 57  TYR   B CE2  1 ? 1 
ATOM   658  C CZ   . TYR   A 1 45  ? -18.112 6.772   -10.226 1 30.649 ? 57  TYR   B CZ   1 ? 1 
ATOM   659  O OH   . TYR   A 1 45  ? -17.975 6.734   -11.583 1 30.586 ? 57  TYR   B OH   1 ? 1 
ATOM   660  H H    . TYR   A 1 45  ? -19.689 9.669   -6.335  1 38.216 ? 57  TYR   B H    1 c 1 
ATOM   661  H HA   . TYR   A 1 45  ? -18.591 8.177   -4.266  1 35.059 ? 57  TYR   B HA   1 c 1 
ATOM   662  H HB2  . TYR   A 1 45  ? -18.169 6.288   -5.463  1 31.432 ? 57  TYR   B HB2  1 c 1 
ATOM   663  H HB3  . TYR   A 1 45  ? -19.701 6.597   -5.727  1 32.229 ? 57  TYR   B HB3  1 c 1 
ATOM   664  H HD1  . TYR   A 1 45  ? -16.57  6.596   -7.379  1 29.967 ? 57  TYR   B HD1  1 c 1 
ATOM   665  H HD2  . TYR   A 1 45  ? -20.418 7.137   -7.993  1 31.792 ? 57  TYR   B HD2  1 c 1 
ATOM   666  H HE1  . TYR   A 1 45  ? -16.215 6.515   -9.643  1 30.605 ? 57  TYR   B HE1  1 c 1 
ATOM   667  H HE2  . TYR   A 1 45  ? -20.083 7.06    -10.259 1 32.332 ? 57  TYR   B HE2  1 c 1 
ATOM   668  H HH   . TYR   A 1 45  ? -17.128 6.584   -11.805 0 30     ? 57  TYR   B HH   1 c 1 
ATOM   669  N N    . LYS   A 1 46  ? -16.227 8.402   -5.17   1 34.512 ? 58  LYS   B N    1 ? 1 
ATOM   670  C CA   . LYS   A 1 46  ? -14.96  8.544   -5.846  1 37.958 ? 58  LYS   B CA   1 ? 1 
ATOM   671  C C    . LYS   A 1 46  ? -14.201 7.239   -5.759  1 34.974 ? 58  LYS   B C    1 ? 1 
ATOM   672  O O    . LYS   A 1 46  ? -14.287 6.553   -4.751  1 37.703 ? 58  LYS   B O    1 ? 1 
ATOM   673  C CB   . LYS   A 1 46  ? -14.143 9.751   -5.382  1 41.655 ? 58  LYS   B CB   1 ? 1 
ATOM   674  C CG   . LYS   A 1 46  ? -14.314 10.203  -3.965  1 42.888 ? 58  LYS   B CG   1 ? 1 
ATOM   675  C CD   . LYS   A 1 46  ? -13.899 11.657  -3.795  1 46.821 ? 58  LYS   B CD   1 ? 1 
ATOM   676  C CE   . LYS   A 1 46  ? -12.97  11.805  -2.627  1 48.042 ? 58  LYS   B CE   1 ? 1 
ATOM   677  N NZ   . LYS   A 1 46  ? -12.93  13.144  -2.016  1 49.329 ? 58  LYS   B NZ   1 ? 1 
ATOM   678  H H    . LYS   A 1 46  ? -16.271 7.95    -4.376  1 34.446 ? 58  LYS   B H    1 c 1 
ATOM   679  H HA   . LYS   A 1 46  ? -15.157 8.702   -6.803  1 37.892 ? 58  LYS   B HA   1 c 1 
ATOM   680  H HB2  . LYS   A 1 46  ? -13.193 9.546   -5.52   1 41.485 ? 58  LYS   B HB2  1 c 1 
ATOM   681  H HB3  . LYS   A 1 46  ? -14.365 10.504  -5.97   1 42.764 ? 58  LYS   B HB3  1 c 1 
ATOM   682  H HG2  . LYS   A 1 46  ? -15.256 10.102  -3.707  1 42.512 ? 58  LYS   B HG2  1 c 1 
ATOM   683  H HG3  . LYS   A 1 46  ? -13.769 9.632   -3.381  1 42.26  ? 58  LYS   B HG3  1 c 1 
ATOM   684  H HD2  . LYS   A 1 46  ? -13.448 11.972  -4.608  1 47.473 ? 58  LYS   B HD2  1 c 1 
ATOM   685  H HD3  . LYS   A 1 46  ? -14.698 12.209  -3.647  1 47.297 ? 58  LYS   B HD3  1 c 1 
ATOM   686  H HE2  . LYS   A 1 46  ? -13.226 11.168  -1.936  1 46.417 ? 58  LYS   B HE2  1 c 1 
ATOM   687  H HE3  . LYS   A 1 46  ? -12.069 11.574  -2.917  1 47.706 ? 58  LYS   B HE3  1 c 1 
ATOM   688  H HZ1  . LYS   A 1 46  ? -13.762 13.384  -1.749  1 49.744 ? 58  LYS   B HZ1  1 c 1 
ATOM   689  H HZ2  . LYS   A 1 46  ? -12.625 13.747  -2.619  1 50.995 ? 58  LYS   B HZ2  1 c 1 
ATOM   690  H HZ3  . LYS   A 1 46  ? -12.379 13.136  -1.297  1 50.079 ? 58  LYS   B HZ3  1 c 1 
ATOM   691  N N    . GLY   A 1 47  ? -13.525 6.916   -6.865  1 33.466 ? 59  GLY   B N    1 ? 1 
ATOM   692  C CA   . GLY   A 1 47  ? -12.929 5.616   -7.095  1 29.891 ? 59  GLY   B CA   1 ? 1 
ATOM   693  C C    . GLY   A 1 47  ? -11.489 5.749   -7.556  1 30.151 ? 59  GLY   B C    1 ? 1 
ATOM   694  O O    . GLY   A 1 47  ? -11.071 6.768   -8.091  1 31.441 ? 59  GLY   B O    1 ? 1 
ATOM   695  H H    . GLY   A 1 47  ? -13.427 7.552   -7.514  1 34.501 ? 59  GLY   B H    1 c 1 
ATOM   696  H HA2  . GLY   A 1 47  ? -12.962 5.092   -6.263  1 29.39  ? 59  GLY   B HA2  1 c 1 
ATOM   697  H HA3  . GLY   A 1 47  ? -13.452 5.136   -7.779  1 29.739 ? 59  GLY   B HA3  1 c 1 
ATOM   698  N N    . LYS   A 1 48  ? -10.706 4.72    -7.268  1 31.134 ? 60  LYS   B N    1 ? 1 
ATOM   699  C CA   . LYS   A 1 48  ? -9.395  4.568   -7.871  1 31.477 ? 60  LYS   B CA   1 ? 1 
ATOM   700  C C    . LYS   A 1 48  ? -9.031  3.09    -7.828  1 31.106 ? 60  LYS   B C    1 ? 1 
ATOM   701  O O    . LYS   A 1 48  ? -9.704  2.276   -7.179  1 28.367 ? 60  LYS   B O    1 ? 1 
ATOM   702  C CB   . LYS   A 1 48  ? -8.38   5.486   -7.185  1 32.786 ? 60  LYS   B CB   1 ? 1 
ATOM   703  C CG   . LYS   A 1 48  ? -8.311  5.301   -5.708  1 33.485 ? 60  LYS   B CG   1 ? 1 
ATOM   704  C CD   . LYS   A 1 48  ? -7.042  5.851   -5.097  1 35.862 ? 60  LYS   B CD   1 ? 1 
ATOM   705  C CE   . LYS   A 1 48  ? -7.057  5.68    -3.62   1 38.899 ? 60  LYS   B CE   1 ? 1 
ATOM   706  N NZ   . LYS   A 1 48  ? -5.872  6.232   -2.944  1 42.894 ? 60  LYS   B NZ   1 ? 1 
ATOM   707  H H    . LYS   A 1 48  ? -10.993 4.09    -6.672  1 29.43  ? 60  LYS   B H    1 c 1 
ATOM   708  H HA   . LYS   A 1 48  ? -9.461  4.842   -8.821  1 32.465 ? 60  LYS   B HA   1 c 1 
ATOM   709  H HB2  . LYS   A 1 48  ? -7.491  5.316   -7.564  1 33.866 ? 60  LYS   B HB2  1 c 1 
ATOM   710  H HB3  . LYS   A 1 48  ? -8.613  6.42    -7.374  1 34.304 ? 60  LYS   B HB3  1 c 1 
ATOM   711  H HG2  . LYS   A 1 48  ? -9.085  5.747   -5.299  1 33.182 ? 60  LYS   B HG2  1 c 1 
ATOM   712  H HG3  . LYS   A 1 48  ? -8.374  4.342   -5.505  1 32.016 ? 60  LYS   B HG3  1 c 1 
ATOM   713  H HD2  . LYS   A 1 48  ? -6.268  5.378   -5.47   1 36.815 ? 60  LYS   B HD2  1 c 1 
ATOM   714  H HD3  . LYS   A 1 48  ? -6.96   6.803   -5.311  1 38.288 ? 60  LYS   B HD3  1 c 1 
ATOM   715  H HE2  . LYS   A 1 48  ? -7.85   6.113   -3.259  1 38.316 ? 60  LYS   B HE2  1 c 1 
ATOM   716  H HE3  . LYS   A 1 48  ? -7.118  4.73    -3.413  1 37.219 ? 60  LYS   B HE3  1 c 1 
ATOM   717  H HZ1  . LYS   A 1 48  ? -5.826  7.125   -3.088  1 43.613 ? 60  LYS   B HZ1  1 c 1 
ATOM   718  H HZ2  . LYS   A 1 48  ? -5.123  5.839   -3.269  1 42.602 ? 60  LYS   B HZ2  1 c 1 
ATOM   719  H HZ3  . LYS   A 1 48  ? -5.927  6.076   -2.053  1 42.148 ? 60  LYS   B HZ3  1 c 1 
ATOM   720  N N    . LEU   A 1 49  ? -8.029  2.754   -8.649  1 34.056 ? 61  LEU   B N    1 ? 1 
ATOM   721  C CA   . LEU   A 1 49  ? -7.214  1.561   -8.478  1 33.263 ? 61  LEU   B CA   1 ? 1 
ATOM   722  C C    . LEU   A 1 49  ? -6.555  1.713   -7.109  1 35.982 ? 61  LEU   B C    1 ? 1 
ATOM   723  O O    . LEU   A 1 49  ? -6.34   2.831   -6.66   1 39.05  ? 61  LEU   B O    1 ? 1 
ATOM   724  C CB   . LEU   A 1 49  ? -6.162  1.392   -9.581  1 31.468 ? 61  LEU   B CB   1 ? 1 
ATOM   725  C CG   . LEU   A 1 49  ? -6.67   1.331   -11.025 1 31.004 ? 61  LEU   B CG   1 ? 1 
ATOM   726  C CD1  . LEU   A 1 49  ? -5.595  1.001   -12.061 1 31.453 ? 61  LEU   B CD1  1 ? 1 
ATOM   727  C CD2  . LEU   A 1 49  ? -7.745  0.297   -11.091 1 29.702 ? 61  LEU   B CD2  1 ? 1 
ATOM   728  H H    . LEU   A 1 49  ? -7.843  3.305   -9.354  1 34.49  ? 61  LEU   B H    1 c 1 
ATOM   729  H HA   . LEU   A 1 49  ? -7.81   0.77    -8.462  1 31.831 ? 61  LEU   B HA   1 c 1 
ATOM   730  H HB2  . LEU   A 1 49  ? -5.524  2.139   -9.511  1 33.382 ? 61  LEU   B HB2  1 c 1 
ATOM   731  H HB3  . LEU   A 1 49  ? -5.658  0.565   -9.397  1 31.542 ? 61  LEU   B HB3  1 c 1 
ATOM   732  H HG   . LEU   A 1 49  ? -7.066  2.21    -11.255 1 31.818 ? 61  LEU   B HG   1 c 1 
ATOM   733  H HD11 . LEU   A 1 49  ? -4.875  1.651   -12     1 33.15  ? 61  LEU   B HD11 1 c 1 
ATOM   734  H HD12 . LEU   A 1 49  ? -5.982  1.03    -12.952 1 32.113 ? 61  LEU   B HD12 1 c 1 
ATOM   735  H HD13 . LEU   A 1 49  ? -5.242  0.111   -11.891 1 31.092 ? 61  LEU   B HD13 1 c 1 
ATOM   736  H HD21 . LEU   A 1 49  ? -8.576  0.674   -10.758 1 29.043 ? 61  LEU   B HD21 1 c 1 
ATOM   737  H HD22 . LEU   A 1 49  ? -7.496  -0.469  -10.548 1 28.706 ? 61  LEU   B HD22 1 c 1 
ATOM   738  H HD23 . LEU   A 1 49  ? -7.868  0.013   -12.013 1 29.823 ? 61  LEU   B HD23 1 c 1 
ATOM   739  N N    . SER   A 1 50  ? -6.239  0.599   -6.454  1 36.217 ? 62  SER   B N    1 ? 1 
ATOM   740  C CA   . SER   A 1 50  ? -5.551  0.673   -5.186  1 40.039 ? 62  SER   B CA   1 ? 1 
ATOM   741  C C    . SER   A 1 50  ? -4.086  1.067   -5.4    1 39.891 ? 62  SER   B C    1 ? 1 
ATOM   742  O O    . SER   A 1 50  ? -3.494  1.62    -4.498  1 42.224 ? 62  SER   B O    1 ? 1 
ATOM   743  C CB   . SER   A 1 50  ? -5.735  -0.632  -4.429  1 43.878 ? 62  SER   B CB   1 ? 1 
ATOM   744  O OG   . SER   A 1 50  ? -4.785  -1.622  -4.813  1 46.496 ? 62  SER   B OG   1 ? 1 
ATOM   745  H H    . SER   A 1 50  ? -6.451  -0.219  -6.804  1 35.799 ? 62  SER   B H    1 c 1 
ATOM   746  H HA   . SER   A 1 50  ? -5.979  1.391   -4.653  1 40.001 ? 62  SER   B HA   1 c 1 
ATOM   747  H HB2  . SER   A 1 50  ? -5.653  -0.459  -3.469  1 43.448 ? 62  SER   B HB2  1 c 1 
ATOM   748  H HB3  . SER   A 1 50  ? -6.638  -0.974  -4.596  1 41.907 ? 62  SER   B HB3  1 c 1 
ATOM   749  H HG   . SER   A 1 50  ? -4.716  -2.105  -3.67   0 30     ? 62  SER   B HG   1 c 1 
ATOM   750  N N    . ASN   A 1 51  ? -3.52   0.755   -6.584  1 45.365 ? 63  ASN   B N    1 ? 1 
ATOM   751  C CA   . ASN   A 1 51  ? -2.273  1.304   -7.132  1 44.968 ? 63  ASN   B CA   1 ? 1 
ATOM   752  C C    . ASN   A 1 51  ? -2.282  2.85    -7.099  1 47.105 ? 63  ASN   B C    1 ? 1 
ATOM   753  O O    . ASN   A 1 51  ? -1.23   3.467   -7.031  1 46.21  ? 63  ASN   B O    1 ? 1 
ATOM   754  C CB   . ASN   A 1 51  ? -2.01   0.738   -8.539  1 39.791 ? 63  ASN   B CB   1 ? 1 
ATOM   755  H H    . ASN   A 1 51  ? -3.953  0.129   -7.09   1 42.374 ? 63  ASN   B H    1 c 1 
ATOM   756  H HA   . ASN   A 1 51  ? -1.536  0.998   -6.556  1 45.065 ? 63  ASN   B HA   1 c 1 
ATOM   757  H HB2  . ASN   A 1 51  ? -0.972  0.723   -8.609  0 30     ? 63  ASN   B HB2  1 c 1 
ATOM   758  H HB3  . ASN   A 1 51  ? -2.781  0.583   -8.954  0 30     ? 63  ASN   B HB3  1 c 1 
ATOM   759  N N    . GLY   A 1 52  ? -3.47   3.48    -7.166  1 49.669 ? 64  GLY   B N    1 ? 1 
ATOM   760  C CA   . GLY   A 1 52  ? -3.641  4.925   -7.235  1 51.527 ? 64  GLY   B CA   1 ? 1 
ATOM   761  C C    . GLY   A 1 52  ? -3.523  5.498   -8.654  1 55.671 ? 64  GLY   B C    1 ? 1 
ATOM   762  O O    . GLY   A 1 52  ? -3.542  6.716   -8.79   1 64.935 ? 64  GLY   B O    1 ? 1 
ATOM   763  H H    . GLY   A 1 52  ? -4.224  2.967   -7.19   1 47.17  ? 64  GLY   B H    1 c 1 
ATOM   764  H HA2  . GLY   A 1 52  ? -4.527  5.153   -6.872  1 50.988 ? 64  GLY   B HA2  1 c 1 
ATOM   765  H HA3  . GLY   A 1 52  ? -2.965  5.352   -6.658  1 53.329 ? 64  GLY   B HA3  1 c 1 
ATOM   766  N N    . LYS   A 1 53  ? -3.463  4.656   -9.705  1 53.699 ? 65  LYS   B N    1 ? 1 
ATOM   767  C CA   . LYS   A 1 53  ? -2.884  5.08    -10.981 1 57.116 ? 65  LYS   B CA   1 ? 1 
ATOM   768  C C    . LYS   A 1 53  ? -3.953  5.608   -11.953 1 56.161 ? 65  LYS   B C    1 ? 1 
ATOM   769  O O    . LYS   A 1 53  ? -3.614  6.396   -12.834 1 58.739 ? 65  LYS   B O    1 ? 1 
ATOM   770  C CB   . LYS   A 1 53  ? -1.948  4.008   -11.573 1 55.976 ? 65  LYS   B CB   1 ? 1 
ATOM   771  H H    . LYS   A 1 53  ? -3.798  3.81    -9.629  1 52.655 ? 65  LYS   B H    1 c 1 
ATOM   772  H HA   . LYS   A 1 53  ? -2.288  5.846   -10.783 1 58.319 ? 65  LYS   B HA   1 c 1 
ATOM   773  H HB2  . LYS   A 1 53  ? -1.027  4.265   -11.446 0 30     ? 65  LYS   B HB2  1 c 1 
ATOM   774  H HB3  . LYS   A 1 53  ? -2.504  3.271   -11.978 0 30     ? 65  LYS   B HB3  1 c 1 
ATOM   775  N N    . LYS   A 1 54  ? -5.225  5.189   -11.814 1 51.605 ? 66  LYS   B N    1 ? 1 
ATOM   776  C CA   . LYS   A 1 54  ? -6.345  5.827   -12.499 1 48.825 ? 66  LYS   B CA   1 ? 1 
ATOM   777  C C    . LYS   A 1 54  ? -7.356  6.2     -11.406 1 48.201 ? 66  LYS   B C    1 ? 1 
ATOM   778  O O    . LYS   A 1 54  ? -7.353  5.61    -10.339 1 46.127 ? 66  LYS   B O    1 ? 1 
ATOM   779  C CB   . LYS   A 1 54  ? -6.83   4.987   -13.702 1 44.588 ? 66  LYS   B CB   1 ? 1 
ATOM   780  H H    . LYS   A 1 54  ? -5.398  4.47    -11.276 1 49.843 ? 66  LYS   B H    1 c 1 
ATOM   781  H HA   . LYS   A 1 54  ? -6.012  6.678   -12.883 1 50.828 ? 66  LYS   B HA   1 c 1 
ATOM   782  H HB2  . LYS   A 1 54  ? -6.098  4.579   -14.144 0 30     ? 66  LYS   B HB2  1 c 1 
ATOM   783  H HB3  . LYS   A 1 54  ? -7.85   4.951   -13.648 0 30     ? 66  LYS   B HB3  1 c 1 
ATOM   784  N N    . PHE   A 1 55  ? -8.175  7.223   -11.652 1 51.679 ? 67  PHE   B N    1 ? 1 
ATOM   785  C CA   . PHE   A 1 55  ? -9.085  7.801   -10.669 1 52.408 ? 67  PHE   B CA   1 ? 1 
ATOM   786  C C    . PHE   A 1 55  ? -10.41  8.174   -11.32  1 49.289 ? 67  PHE   B C    1 ? 1 
ATOM   787  O O    . PHE   A 1 55  ? -10.43  8.446   -12.518 1 57.36  ? 67  PHE   B O    1 ? 1 
ATOM   788  C CB   . PHE   A 1 55  ? -8.599  9.148   -10.155 1 56.045 ? 67  PHE   B CB   1 ? 1 
ATOM   789  C CG   . PHE   A 1 55  ? -8.113  9.129   -8.726  1 62.525 ? 67  PHE   B CG   1 ? 1 
ATOM   790  C CD1  . PHE   A 1 55  ? -9.019  9.349   -7.686  1 67.917 ? 67  PHE   B CD1  1 ? 1 
ATOM   791  C CD2  . PHE   A 1 55  ? -6.762  8.934   -8.439  1 67.667 ? 67  PHE   B CD2  1 ? 1 
ATOM   792  C CE1  . PHE   A 1 55  ? -8.588  9.354   -6.368  1 72.535 ? 67  PHE   B CE1  1 ? 1 
ATOM   793  C CE2  . PHE   A 1 55  ? -6.325  8.956   -7.121  1 72.167 ? 67  PHE   B CE2  1 ? 1 
ATOM   794  C CZ   . PHE   A 1 55  ? -7.24   9.156   -6.087  1 74.159 ? 67  PHE   B CZ   1 ? 1 
ATOM   795  H H    . PHE   A 1 55  ? -8.167  7.585   -12.492 1 52.595 ? 67  PHE   B H    1 c 1 
ATOM   796  H HA   . PHE   A 1 55  ? -9.234  7.172   -9.915  1 50.028 ? 67  PHE   B HA   1 c 1 
ATOM   797  H HB2  . PHE   A 1 55  ? -7.866  9.456   -10.734 1 58.796 ? 67  PHE   B HB2  1 c 1 
ATOM   798  H HB3  . PHE   A 1 55  ? -9.331  9.799   -10.231 1 57.648 ? 67  PHE   B HB3  1 c 1 
ATOM   799  H HD1  . PHE   A 1 55  ? -9.933  9.484   -7.883  1 66.949 ? 67  PHE   B HD1  1 c 1 
ATOM   800  H HD2  . PHE   A 1 55  ? -6.145  8.802   -9.142  1 68.492 ? 67  PHE   B HD2  1 c 1 
ATOM   801  H HE1  . PHE   A 1 55  ? -9.205  9.495   -5.667  1 70.912 ? 67  PHE   B HE1  1 c 1 
ATOM   802  H HE2  . PHE   A 1 55  ? -5.413  8.812   -6.924  1 72.399 ? 67  PHE   B HE2  1 c 1 
ATOM   803  H HZ   . PHE   A 1 55  ? -6.942  9.159   -5.191  1 72.816 ? 67  PHE   B HZ   1 c 1 
ATOM   804  N N    . ASP   A 1 56  ? -11.492 8.22    -10.539 1 44.672 ? 68  ASP   B N    1 ? 1 
ATOM   805  C CA   . ASP   A 1 56  ? -12.805 8.514   -11.11  1 44.564 ? 68  ASP   B CA   1 ? 1 
ATOM   806  C C    . ASP   A 1 56  ? -13.813 8.997   -10.07  1 45.268 ? 68  ASP   B C    1 ? 1 
ATOM   807  O O    . ASP   A 1 56  ? -13.892 8.453   -8.979  1 44.656 ? 68  ASP   B O    1 ? 1 
ATOM   808  C CB   . ASP   A 1 56  ? -13.364 7.351   -11.9   1 40.238 ? 68  ASP   B CB   1 ? 1 
ATOM   809  C CG   . ASP   A 1 56  ? -14.811 7.478   -12.334 1 38.84  ? 68  ASP   B CG   1 ? 1 
ATOM   810  O OD1  . ASP   A 1 56  ? -15.169 8.466   -13.037 1 42.405 ? 68  ASP   B OD1  1 ? 1 
ATOM   811  O OD2  . ASP   A 1 56  ? -15.56  6.577   -11.963 1 34.881 ? 68  ASP   B OD2  1 ? 1 
ATOM   812  H H    . ASP   A 1 56  ? -11.418 8.067   -9.641  1 44.628 ? 68  ASP   B H    1 c 1 
ATOM   813  H HA   . ASP   A 1 56  ? -12.684 9.241   -11.763 1 46.095 ? 68  ASP   B HA   1 c 1 
ATOM   814  H HB2  . ASP   A 1 56  ? -12.819 7.231   -12.705 1 41.322 ? 68  ASP   B HB2  1 c 1 
ATOM   815  H HB3  . ASP   A 1 56  ? -13.277 6.539   -11.358 1 38.908 ? 68  ASP   B HB3  1 c 1 
ATOM   816  N N    . SER   A 1 57  ? -14.613 9.993   -10.479 1 48.777 ? 69  SER   B N    1 ? 1 
ATOM   817  C CA   . SER   A 1 57  ? -15.593 10.63   -9.617  1 52.741 ? 69  SER   B CA   1 ? 1 
ATOM   818  C C    . SER   A 1 57  ? -16.911 10.903  -10.358 1 52.679 ? 69  SER   B C    1 ? 1 
ATOM   819  O O    . SER   A 1 57  ? -16.948 11.193  -11.554 1 56.009 ? 69  SER   B O    1 ? 1 
ATOM   820  C CB   . SER   A 1 57  ? -15.016 11.892  -9.057  1 58.701 ? 69  SER   B CB   1 ? 1 
ATOM   821  O OG   . SER   A 1 57  ? -15.826 12.388  -8.004  1 64.09  ? 69  SER   B OG   1 ? 1 
ATOM   822  H H    . SER   A 1 57  ? -14.543 10.287  -11.341 1 50.293 ? 69  SER   B H    1 c 1 
ATOM   823  H HA   . SER   A 1 57  ? -15.786 10.016  -8.864  1 50.862 ? 69  SER   B HA   1 c 1 
ATOM   824  H HB2  . SER   A 1 57  ? -14.117 11.716  -8.721  1 58.634 ? 69  SER   B HB2  1 c 1 
ATOM   825  H HB3  . SER   A 1 57  ? -14.954 12.562  -9.764  1 60.595 ? 69  SER   B HB3  1 c 1 
ATOM   826  H HG   . SER   A 1 57  ? -15.531 13.051  -7.672  0 30     ? 69  SER   B HG   1 c 1 
ATOM   827  N N    . SER   A 1 58  ? -18.009 10.792  -9.617  1 49.052 ? 70  SER   B N    1 ? 1 
ATOM   828  C CA   . SER   A 1 58  ? -19.297 11.276  -10.066 1 49.357 ? 70  SER   B CA   1 ? 1 
ATOM   829  C C    . SER   A 1 58  ? -19.214 12.792  -10.243 1 58.345 ? 70  SER   B C    1 ? 1 
ATOM   830  O O    . SER   A 1 58  ? -19.74  13.344  -11.217 1 62.377 ? 70  SER   B O    1 ? 1 
ATOM   831  C CB   . SER   A 1 58  ? -20.389 10.885  -9.076  1 46.651 ? 70  SER   B CB   1 ? 1 
ATOM   832  O OG   . SER   A 1 58  ? -20.114 11.307  -7.737  1 44.153 ? 70  SER   B OG   1 ? 1 
ATOM   833  H H    . SER   A 1 58  ? -17.954 10.395  -8.796  1 48.3   ? 70  SER   B H    1 c 1 
ATOM   834  H HA   . SER   A 1 58  ? -19.5   10.865  -10.945 1 50.386 ? 70  SER   B HA   1 c 1 
ATOM   835  H HB2  . SER   A 1 58  ? -21.234 11.277  -9.366  1 47.595 ? 70  SER   B HB2  1 c 1 
ATOM   836  H HB3  . SER   A 1 58  ? -20.494 9.914   -9.088  1 44.964 ? 70  SER   B HB3  1 c 1 
ATOM   837  H HG   . SER   A 1 58  ? -20.756 11.105  -7.283  0 30     ? 70  SER   B HG   1 c 1 
ATOM   838  N N    . HIS   A 1 59  ? -18.534 13.459  -9.298  1 59.104 ? 71  HIS   B N    1 ? 1 
ATOM   839  C CA   . HIS   A 1 59  ? -18.39  14.911  -9.311  1 61.944 ? 71  HIS   B CA   1 ? 1 
ATOM   840  C C    . HIS   A 1 59  ? -17.92  15.387  -10.695 1 62.822 ? 71  HIS   B C    1 ? 1 
ATOM   841  O O    . HIS   A 1 59  ? -18.539 16.252  -11.297 1 72.231 ? 71  HIS   B O    1 ? 1 
ATOM   842  C CB   . HIS   A 1 59  ? -17.559 15.363  -8.098  1 60.178 ? 71  HIS   B CB   1 ? 1 
ATOM   843  C CG   . HIS   A 1 59  ? -18.074 14.817  -6.786  1 58.141 ? 71  HIS   B CG   1 ? 1 
ATOM   844  N ND1  . HIS   A 1 59  ? -19.272 15.216  -6.232  1 57.253 ? 71  HIS   B ND1  1 ? 1 
ATOM   845  C CD2  . HIS   A 1 59  ? -17.58  13.891  -5.938  1 55.781 ? 71  HIS   B CD2  1 ? 1 
ATOM   846  C CE1  . HIS   A 1 59  ? -19.469 14.597  -5.075  1 55.959 ? 71  HIS   B CE1  1 ? 1 
ATOM   847  N NE2  . HIS   A 1 59  ? -18.448 13.784  -4.879  1 58.047 ? 71  HIS   B NE2  1 ? 1 
ATOM   848  H H    . HIS   A 1 59  ? -18.143 12.987  -8.62   1 57.531 ? 71  HIS   B H    1 c 1 
ATOM   849  H HA   . HIS   A 1 59  ? -19.3   15.272  -9.172  1 62.111 ? 71  HIS   B HA   1 c 1 
ATOM   850  H HB2  . HIS   A 1 59  ? -16.631 15.069  -8.224  1 60.111 ? 71  HIS   B HB2  1 c 1 
ATOM   851  H HB3  . HIS   A 1 59  ? -17.564 16.344  -8.06   1 62.583 ? 71  HIS   B HB3  1 c 1 
ATOM   852  H HD1  . HIS   A 1 59  ? -19.803 15.824  -6.637  0 30     ? 71  HIS   B HD1  1 c 1 
ATOM   853  H HD2  . HIS   A 1 59  ? -16.769 13.43   -6.021  1 55.712 ? 71  HIS   B HD2  1 c 1 
ATOM   854  H HE1  . HIS   A 1 59  ? -20.215 14.7    -4.509  1 56.898 ? 71  HIS   B HE1  1 c 1 
ATOM   855  H HE2  . HIS   A 1 59  ? -18.354 13.297  -4.187  0 30     ? 71  HIS   B HE2  1 c 1 
ATOM   856  N N    . ASP   A 1 60  ? -16.865 14.793  -11.228 1 62.726 ? 72  ASP   B N    1 ? 1 
ATOM   857  C CA   . ASP   A 1 60  ? -16.409 15      -12.599 1 71.81  ? 72  ASP   B CA   1 ? 1 
ATOM   858  C C    . ASP   A 1 60  ? -17.531 15.212  -13.626 1 76.574 ? 72  ASP   B C    1 ? 1 
ATOM   859  O O    . ASP   A 1 60  ? -17.331 15.919  -14.616 1 78.475 ? 72  ASP   B O    1 ? 1 
ATOM   860  C CB   . ASP   A 1 60  ? -15.623 13.798  -13.122 1 75.055 ? 72  ASP   B CB   1 ? 1 
ATOM   861  C CG   . ASP   A 1 60  ? -14.257 13.512  -12.491 1 76.595 ? 72  ASP   B CG   1 ? 1 
ATOM   862  O OD1  . ASP   A 1 60  ? -13.701 14.449  -11.865 1 76.781 ? 72  ASP   B OD1  1 ? 1 
ATOM   863  O OD2  . ASP   A 1 60  ? -13.756 12.347  -12.614 1 67.683 ? 72  ASP   B OD2  1 ? 1 
ATOM   864  H H    . ASP   A 1 60  ? -16.388 14.217  -10.702 1 62.634 ? 72  ASP   B H    1 c 1 
ATOM   865  H HA   . ASP   A 1 60  ? -15.819 15.788  -12.613 1 73.511 ? 72  ASP   B HA   1 c 1 
ATOM   866  H HB2  . ASP   A 1 60  ? -16.178 12.999  -13.015 1 72.516 ? 72  ASP   B HB2  1 c 1 
ATOM   867  H HB3  . ASP   A 1 60  ? -15.475 13.923  -14.083 1 75.739 ? 72  ASP   B HB3  1 c 1 
ATOM   868  N N    . ARG   A 1 61  ? -18.682 14.548  -13.468 1 75.68  ? 73  ARG   B N    1 ? 1 
ATOM   869  C CA   . ARG   A 1 61  ? -19.722 14.635  -14.484 1 75.129 ? 73  ARG   B CA   1 ? 1 
ATOM   870  C C    . ARG   A 1 61  ? -20.857 15.583  -14.053 1 77.283 ? 73  ARG   B C    1 ? 1 
ATOM   871  O O    . ARG   A 1 61  ? -21.894 15.595  -14.717 1 78.848 ? 73  ARG   B O    1 ? 1 
ATOM   872  C CB   . ARG   A 1 61  ? -20.098 13.183  -14.823 1 69.438 ? 73  ARG   B CB   1 ? 1 
ATOM   873  H H    . ARG   A 1 61  ? -18.819 14.028  -12.73  1 72.946 ? 73  ARG   B H    1 c 1 
ATOM   874  H HA   . ARG   A 1 61  ? -19.317 15.016  -15.303 1 76.746 ? 73  ARG   B HA   1 c 1 
ATOM   875  H HB2  . ARG   A 1 61  ? -19.21  13.014  -15.299 0 30     ? 73  ARG   B HB2  1 c 1 
ATOM   876  H HB3  . ARG   A 1 61  ? -21.023 13.382  -15.119 0 30     ? 73  ARG   B HB3  1 c 1 
ATOM   877  N N    . ASN   A 1 62  ? -20.649 16.379  -12.973 1 76.891 ? 74  ASN   B N    1 ? 1 
ATOM   878  C CA   . ASN   A 1 62  ? -21.609 17.335  -12.407 1 82.526 ? 74  ASN   B CA   1 ? 1 
ATOM   879  C C    . ASN   A 1 62  ? -22.513 16.693  -11.339 1 85.633 ? 74  ASN   B C    1 ? 1 
ATOM   880  O O    . ASN   A 1 62  ? -22.573 17.165  -10.196 1 92.488 ? 74  ASN   B O    1 ? 1 
ATOM   881  C CB   . ASN   A 1 62  ? -22.444 18.045  -13.473 1 82.115 ? 74  ASN   B CB   1 ? 1 
ATOM   882  H H    . ASN   A 1 62  ? -19.832 16.326  -12.567 1 77.098 ? 74  ASN   B H    1 c 1 
ATOM   883  H HA   . ASN   A 1 62  ? -21.084 18.034  -11.955 1 82.933 ? 74  ASN   B HA   1 c 1 
ATOM   884  H HB2  . ASN   A 1 62  ? -21.998 18.816  -14.026 0 30     ? 74  ASN   B HB2  1 c 1 
ATOM   885  H HB3  . ASN   A 1 62  ? -23.513 18.142  -13.212 0 30     ? 74  ASN   B HB3  1 c 1 
ATOM   886  N N    . GLU   A 1 63  ? -23.155 15.573  -11.709 1 80.713 ? 75  GLU   B N    1 ? 1 
ATOM   887  C CA   . GLU   A 1 63  ? -24.433 15.127  -11.171 1 75.971 ? 75  GLU   B CA   1 ? 1 
ATOM   888  C C    . GLU   A 1 63  ? -24.309 13.726  -10.565 1 64.96  ? 75  GLU   B C    1 ? 1 
ATOM   889  O O    . GLU   A 1 63  ? -23.325 13.022  -10.819 1 57.202 ? 75  GLU   B O    1 ? 1 
ATOM   890  C CB   . GLU   A 1 63  ? -25.361 15.031  -12.384 1 80.503 ? 75  GLU   B CB   1 ? 1 
ATOM   891  C CG   . GLU   A 1 63  ? -25.015 13.802  -13.232 1 80.758 ? 75  GLU   B CG   1 ? 1 
ATOM   892  C CD   . GLU   A 1 63  ? -24.976 13.892  -14.749 1 85.577 ? 75  GLU   B CD   1 ? 1 
ATOM   893  O OE1  . GLU   A 1 63  ? -24.794 12.776  -15.275 1 80.949 ? 75  GLU   B OE1  1 ? 1 
ATOM   894  O OE2  . GLU   A 1 63  ? -25.084 14.97   -15.404 1 91.061 ? 75  GLU   B OE2  1 ? 1 
ATOM   895  H H    . GLU   A 1 63  ? -22.754 15.045  -12.338 1 79.807 ? 75  GLU   B H    1 c 1 
ATOM   896  H HA   . GLU   A 1 63  ? -24.761 15.776  -10.498 1 76.438 ? 75  GLU   B HA   1 c 1 
ATOM   897  H HB2  . GLU   A 1 63  ? -26.29  14.978  -12.08  1 80.362 ? 75  GLU   B HB2  1 c 1 
ATOM   898  H HB3  . GLU   A 1 63  ? -25.267 15.843  -12.924 1 82.397 ? 75  GLU   B HB3  1 c 1 
ATOM   899  H HG2  . GLU   A 1 63  ? -24.138 13.473  -12.95  1 79.063 ? 75  GLU   B HG2  1 c 1 
ATOM   900  H HG3  . GLU   A 1 63  ? -25.652 13.092  -13.002 1 79.818 ? 75  GLU   B HG3  1 c 1 
ATOM   901  N N    . PRO   A 1 64  ? -25.338 13.233  -9.823  1 58.131 ? 76  PRO   B N    1 ? 1 
ATOM   902  C CA   . PRO   A 1 64  ? -25.243 11.934  -9.163  1 53.39  ? 76  PRO   B CA   1 ? 1 
ATOM   903  C C    . PRO   A 1 64  ? -25.15  10.77   -10.143 1 49.327 ? 76  PRO   B C    1 ? 1 
ATOM   904  O O    . PRO   A 1 64  ? -25.473 10.893  -11.325 1 49.26  ? 76  PRO   B O    1 ? 1 
ATOM   905  C CB   . PRO   A 1 64  ? -26.512 11.818  -8.323  1 53.739 ? 76  PRO   B CB   1 ? 1 
ATOM   906  C CG   . PRO   A 1 64  ? -27.222 13.156  -8.451  1 57.188 ? 76  PRO   B CG   1 ? 1 
ATOM   907  C CD   . PRO   A 1 64  ? -26.646 13.88   -9.628  1 59.234 ? 76  PRO   B CD   1 ? 1 
ATOM   908  H HA   . PRO   A 1 64  ? -24.459 11.927  -8.575  1 52.057 ? 76  PRO   B HA   1 c 1 
ATOM   909  H HB2  . PRO   A 1 64  ? -27.081 11.094  -8.652  1 53.483 ? 76  PRO   B HB2  1 c 1 
ATOM   910  H HB3  . PRO   A 1 64  ? -26.291 11.633  -7.39   1 52.645 ? 76  PRO   B HB3  1 c 1 
ATOM   911  H HG2  . PRO   A 1 64  ? -28.181 13.02   -8.579  1 58.064 ? 76  PRO   B HG2  1 c 1 
ATOM   912  H HG3  . PRO   A 1 64  ? -27.094 13.686  -7.638  1 57.43  ? 76  PRO   B HG3  1 c 1 
ATOM   913  H HD2  . PRO   A 1 64  ? -27.208 13.77   -10.419 1 60.518 ? 76  PRO   B HD2  1 c 1 
ATOM   914  H HD3  . PRO   A 1 64  ? -26.539 14.832  -9.438  1 60.993 ? 76  PRO   B HD3  1 c 1 
ATOM   915  N N    . PHE   A 1 65  ? -24.651 9.651   -9.639  1 44.491 ? 77  PHE   B N    1 ? 1 
ATOM   916  C CA   . PHE   A 1 65  ? -24.579 8.447   -10.432 1 44.258 ? 77  PHE   B CA   1 ? 1 
ATOM   917  C C    . PHE   A 1 65  ? -25.746 7.564   -10.03  1 45.673 ? 77  PHE   B C    1 ? 1 
ATOM   918  O O    . PHE   A 1 65  ? -26.034 7.407   -8.82   1 40.986 ? 77  PHE   B O    1 ? 1 
ATOM   919  C CB   . PHE   A 1 65  ? -23.281 7.682   -10.222 1 42.818 ? 77  PHE   B CB   1 ? 1 
ATOM   920  C CG   . PHE   A 1 65  ? -23.256 6.39    -11.008 1 42.304 ? 77  PHE   B CG   1 ? 1 
ATOM   921  C CD1  . PHE   A 1 65  ? -23.367 6.405   -12.394 1 46.316 ? 77  PHE   B CD1  1 ? 1 
ATOM   922  C CD2  . PHE   A 1 65  ? -23.177 5.168   -10.353 1 40.821 ? 77  PHE   B CD2  1 ? 1 
ATOM   923  C CE1  . PHE   A 1 65  ? -23.362 5.21    -13.106 1 47.758 ? 77  PHE   B CE1  1 ? 1 
ATOM   924  C CE2  . PHE   A 1 65  ? -23.17  3.973   -11.064 1 40.888 ? 77  PHE   B CE2  1 ? 1 
ATOM   925  C CZ   . PHE   A 1 65  ? -23.25  3.998   -12.44  1 45.031 ? 77  PHE   B CZ   1 ? 1 
ATOM   926  H H    . PHE   A 1 65  ? -24.348 9.634   -8.776  1 44.417 ? 77  PHE   B H    1 c 1 
ATOM   927  H HA   . PHE   A 1 65  ? -24.662 8.685   -11.394 1 45.804 ? 77  PHE   B HA   1 c 1 
ATOM   928  H HB2  . PHE   A 1 65  ? -22.529 8.247   -10.505 1 43.198 ? 77  PHE   B HB2  1 c 1 
ATOM   929  H HB3  . PHE   A 1 65  ? -23.181 7.482   -9.265  1 41.629 ? 77  PHE   B HB3  1 c 1 
ATOM   930  H HD1  . PHE   A 1 65  ? -23.431 7.228   -12.852 1 47.636 ? 77  PHE   B HD1  1 c 1 
ATOM   931  H HD2  . PHE   A 1 65  ? -23.109 5.15    -9.412  1 40.176 ? 77  PHE   B HD2  1 c 1 
ATOM   932  H HE1  . PHE   A 1 65  ? -23.419 5.226   -14.048 1 48.109 ? 77  PHE   B HE1  1 c 1 
ATOM   933  H HE2  . PHE   A 1 65  ? -23.098 3.151   -10.607 1 40.194 ? 77  PHE   B HE2  1 c 1 
ATOM   934  H HZ   . PHE   A 1 65  ? -23.253 3.19    -12.927 1 44.178 ? 77  PHE   B HZ   1 c 1 
ATOM   935  N N    . VAL   A 1 66  ? -26.42  7.059   -11.082 1 47.07  ? 78  VAL   B N    1 ? 1 
ATOM   936  C CA   . VAL   A 1 66  ? -27.714 6.43    -10.907 1 47.667 ? 78  VAL   B CA   1 ? 1 
ATOM   937  C C    . VAL   A 1 66  ? -27.727 5.076   -11.591 1 44.211 ? 78  VAL   B C    1 ? 1 
ATOM   938  O O    . VAL   A 1 66  ? -27.371 4.989   -12.757 1 46.285 ? 78  VAL   B O    1 ? 1 
ATOM   939  C CB   . VAL   A 1 66  ? -28.832 7.329   -11.45  1 53.875 ? 78  VAL   B CB   1 ? 1 
ATOM   940  C CG1  . VAL   A 1 66  ? -30.191 6.654   -11.276 1 57.069 ? 78  VAL   B CG1  1 ? 1 
ATOM   941  C CG2  . VAL   A 1 66  ? -28.831 8.707   -10.792 1 53.169 ? 78  VAL   B CG2  1 ? 1 
ATOM   942  H H    . VAL   A 1 66  ? -26.061 7.108   -11.921 1 47.384 ? 78  VAL   B H    1 c 1 
ATOM   943  H HA   . VAL   A 1 66  ? -27.863 6.298   -9.955  1 46.804 ? 78  VAL   B HA   1 c 1 
ATOM   944  H HB   . VAL   A 1 66  ? -28.67  7.45    -12.415 1 54.168 ? 78  VAL   B HB   1 c 1 
ATOM   945  H HG11 . VAL   A 1 66  ? -30.249 6.266   -10.386 1 55.278 ? 78  VAL   B HG11 1 c 1 
ATOM   946  H HG12 . VAL   A 1 66  ? -30.295 5.953   -11.941 1 56.409 ? 78  VAL   B HG12 1 c 1 
ATOM   947  H HG13 . VAL   A 1 66  ? -30.898 7.311   -11.388 1 58.226 ? 78  VAL   B HG13 1 c 1 
ATOM   948  H HG21 . VAL   A 1 66  ? -29.626 9.197   -11.061 1 55.611 ? 78  VAL   B HG21 1 c 1 
ATOM   949  H HG22 . VAL   A 1 66  ? -28.039 9.199   -11.069 1 53.579 ? 78  VAL   B HG22 1 c 1 
ATOM   950  H HG23 . VAL   A 1 66  ? -28.825 8.605   -9.825  1 52.704 ? 78  VAL   B HG23 1 c 1 
ATOM   951  N N    . PHE   A 1 67  ? -28.149 4.044   -10.839 1 42.01  ? 79  PHE   B N    1 ? 1 
ATOM   952  C CA   . PHE   A 1 67  ? -28.163 2.663   -11.3   1 39.363 ? 79  PHE   B CA   1 ? 1 
ATOM   953  C C    . PHE   A 1 67  ? -29.198 1.827   -10.539 1 38.645 ? 79  PHE   B C    1 ? 1 
ATOM   954  O O    . PHE   A 1 67  ? -29.61  2.191   -9.444  1 38.116 ? 79  PHE   B O    1 ? 1 
ATOM   955  C CB   . PHE   A 1 67  ? -26.768 2.058   -11.152 1 36.955 ? 79  PHE   B CB   1 ? 1 
ATOM   956  C CG   . PHE   A 1 67  ? -26.435 1.595   -9.733  1 34.819 ? 79  PHE   B CG   1 ? 1 
ATOM   957  C CD1  . PHE   A 1 67  ? -26.052 2.506   -8.754  1 33.161 ? 79  PHE   B CD1  1 ? 1 
ATOM   958  C CD2  . PHE   A 1 67  ? -26.475 0.244   -9.391  1 33.826 ? 79  PHE   B CD2  1 ? 1 
ATOM   959  C CE1  . PHE   A 1 67  ? -25.747 2.088   -7.467  1 31.724 ? 79  PHE   B CE1  1 ? 1 
ATOM   960  C CE2  . PHE   A 1 67  ? -26.168 -0.173  -8.104  1 31.686 ? 79  PHE   B CE2  1 ? 1 
ATOM   961  C CZ   . PHE   A 1 67  ? -25.818 0.748   -7.139  1 31.171 ? 79  PHE   B CZ   1 ? 1 
ATOM   962  H H    . PHE   A 1 67  ? -28.444 4.216   -9.992  1 41.707 ? 79  PHE   B H    1 c 1 
ATOM   963  H HA   . PHE   A 1 67  ? -28.404 2.659   -12.264 1 40.773 ? 79  PHE   B HA   1 c 1 
ATOM   964  H HB2  . PHE   A 1 67  ? -26.695 1.29    -11.761 1 36.814 ? 79  PHE   B HB2  1 c 1 
ATOM   965  H HB3  . PHE   A 1 67  ? -26.105 2.727   -11.431 1 36.885 ? 79  PHE   B HB3  1 c 1 
ATOM   966  H HD1  . PHE   A 1 67  ? -26.016 3.425   -8.966  1 34.229 ? 79  PHE   B HD1  1 c 1 
ATOM   967  H HD2  . PHE   A 1 67  ? -26.728 -0.392  -10.04  1 34.022 ? 79  PHE   B HD2  1 c 1 
ATOM   968  H HE1  . PHE   A 1 67  ? -25.502 2.723   -6.812  1 31.784 ? 79  PHE   B HE1  1 c 1 
ATOM   969  H HE2  . PHE   A 1 67  ? -26.213 -1.09   -7.884  1 31.376 ? 79  PHE   B HE2  1 c 1 
ATOM   970  H HZ   . PHE   A 1 67  ? -25.599 0.462   -6.267  1 30.435 ? 79  PHE   B HZ   1 c 1 
ATOM   971  N N    . SER   A 1 68  ? -29.604 0.706   -11.159 1 39.076 ? 80  SER   B N    1 ? 1 
ATOM   972  C CA   . SER   A 1 68  ? -30.561 -0.236  -10.587 1 41.384 ? 80  SER   B CA   1 ? 1 
ATOM   973  C C    . SER   A 1 68  ? -29.807 -1.294  -9.786  1 37.666 ? 80  SER   B C    1 ? 1 
ATOM   974  O O    . SER   A 1 68  ? -28.911 -1.949  -10.31  1 35.855 ? 80  SER   B O    1 ? 1 
ATOM   975  C CB   . SER   A 1 68  ? -31.438 -0.878  -11.665 1 43.941 ? 80  SER   B CB   1 ? 1 
ATOM   976  O OG   . SER   A 1 68  ? -32.5   -0.008  -12.067 1 48.218 ? 80  SER   B OG   1 ? 1 
ATOM   977  H H    . SER   A 1 68  ? -29.26  0.521   -11.985 1 39.648 ? 80  SER   B H    1 c 1 
ATOM   978  H HA   . SER   A 1 68  ? -31.15  0.262   -9.967  1 41.523 ? 80  SER   B HA   1 c 1 
ATOM   979  H HB2  . SER   A 1 68  ? -30.89  -1.095  -12.436 1 44.029 ? 80  SER   B HB2  1 c 1 
ATOM   980  H HB3  . SER   A 1 68  ? -31.816 -1.709  -11.319 1 44.339 ? 80  SER   B HB3  1 c 1 
ATOM   981  H HG   . SER   A 1 68  ? -32.98  -0.357  -12.639 0 30     ? 80  SER   B HG   1 c 1 
ATOM   982  N N    . LEU   A 1 69  ? -30.146 -1.444  -8.505  1 37.636 ? 81  LEU   B N    1 ? 1 
ATOM   983  C CA   . LEU   A 1 69  ? -29.34  -2.296  -7.653  1 37.587 ? 81  LEU   B CA   1 ? 1 
ATOM   984  C C    . LEU   A 1 69  ? -29.628 -3.751  -8.022  1 42.636 ? 81  LEU   B C    1 ? 1 
ATOM   985  O O    . LEU   A 1 69  ? -30.759 -4.133  -8.366  1 42.903 ? 81  LEU   B O    1 ? 1 
ATOM   986  C CB   . LEU   A 1 69  ? -29.596 -1.982  -6.182  1 38.473 ? 81  LEU   B CB   1 ? 1 
ATOM   987  C CG   . LEU   A 1 69  ? -28.892 -2.819  -5.097  1 38.267 ? 81  LEU   B CG   1 ? 1 
ATOM   988  C CD1  . LEU   A 1 69  ? -27.411 -2.904  -5.116  1 36.268 ? 81  LEU   B CD1  1 ? 1 
ATOM   989  C CD2  . LEU   A 1 69  ? -29.246 -2.24   -3.733  1 39.502 ? 81  LEU   B CD2  1 ? 1 
ATOM   990  H H    . LEU   A 1 69  ? -30.879 -1.02   -8.161  1 39.152 ? 81  LEU   B H    1 c 1 
ATOM   991  H HA   . LEU   A 1 69  ? -28.387 -2.109  -7.851  1 36.932 ? 81  LEU   B HA   1 c 1 
ATOM   992  H HB2  . LEU   A 1 69  ? -29.361 -1.037  -6.034  1 38.354 ? 81  LEU   B HB2  1 c 1 
ATOM   993  H HB3  . LEU   A 1 69  ? -30.567 -2.044  -6.028  1 39.977 ? 81  LEU   B HB3  1 c 1 
ATOM   994  H HG   . LEU   A 1 69  ? -29.252 -3.743  -5.139  1 38.628 ? 81  LEU   B HG   1 c 1 
ATOM   995  H HD11 . LEU   A 1 69  ? -27.114 -3.155  -6.004  1 35.946 ? 81  LEU   B HD11 1 c 1 
ATOM   996  H HD12 . LEU   A 1 69  ? -27.117 -3.571  -4.476  1 35.632 ? 81  LEU   B HD12 1 c 1 
ATOM   997  H HD13 . LEU   A 1 69  ? -27.031 -2.04   -4.881  1 35.899 ? 81  LEU   B HD13 1 c 1 
ATOM   998  H HD21 . LEU   A 1 69  ? -30.189 -2.391  -3.554  1 40.684 ? 81  LEU   B HD21 1 c 1 
ATOM   999  H HD22 . LEU   A 1 69  ? -29.065 -1.285  -3.727  1 39.193 ? 81  LEU   B HD22 1 c 1 
ATOM   1000 H HD23 . LEU   A 1 69  ? -28.716 -2.673  -3.045  1 38.278 ? 81  LEU   B HD23 1 c 1 
ATOM   1001 N N    . GLY   A 1 70  ? -28.539 -4.528  -8.008  1 43.362 ? 82  GLY   B N    1 ? 1 
ATOM   1002 C CA   . GLY   A 1 70  ? -28.553 -5.954  -8.246  1 43.58  ? 82  GLY   B CA   1 ? 1 
ATOM   1003 C C    . GLY   A 1 70  ? -28.982 -6.324  -9.665  1 47.658 ? 82  GLY   B C    1 ? 1 
ATOM   1004 O O    . GLY   A 1 70  ? -29.613 -7.354  -9.884  1 51.083 ? 82  GLY   B O    1 ? 1 
ATOM   1005 H H    . GLY   A 1 70  ? -27.733 -4.132  -7.844  1 41.34  ? 82  GLY   B H    1 c 1 
ATOM   1006 H HA2  . GLY   A 1 70  ? -27.654 -6.315  -8.075  1 42.649 ? 82  GLY   B HA2  1 c 1 
ATOM   1007 H HA3  . GLY   A 1 70  ? -29.17  -6.375  -7.602  1 44.83  ? 82  GLY   B HA3  1 c 1 
ATOM   1008 N N    . LYS   A 1 71  ? -28.675 -5.494  -10.649 1 46.605 ? 83  LYS   B N    1 ? 1 
ATOM   1009 C CA   . LYS   A 1 71  ? -29.12  -5.793  -11.99  1 47.391 ? 83  LYS   B CA   1 ? 1 
ATOM   1010 C C    . LYS   A 1 71  ? -27.86  -5.913  -12.828 1 49.004 ? 83  LYS   B C    1 ? 1 
ATOM   1011 O O    . LYS   A 1 71  ? -27.916 -5.799  -14.057 1 49.549 ? 83  LYS   B O    1 ? 1 
ATOM   1012 C CB   . LYS   A 1 71  ? -30.143 -4.725  -12.413 1 50.103 ? 83  LYS   B CB   1 ? 1 
ATOM   1013 H H    . LYS   A 1 71  ? -28.192 -4.734  -10.489 1 45.874 ? 83  LYS   B H    1 c 1 
ATOM   1014 H HA   . LYS   A 1 71  ? -29.574 -6.673  -11.986 1 49.037 ? 83  LYS   B HA   1 c 1 
ATOM   1015 H HB2  . LYS   A 1 71  ? -29.642 -3.937  -12.682 0 30     ? 83  LYS   B HB2  1 c 1 
ATOM   1016 H HB3  . LYS   A 1 71  ? -31.034 -5.089  -12.247 0 30     ? 83  LYS   B HB3  1 c 1 
ATOM   1017 N N    . GLY   A 1 72  ? -26.734 -6.131  -12.117 1 49.507 ? 84  GLY   B N    1 ? 1 
ATOM   1018 C CA   . GLY   A 1 72  ? -25.393 -5.92   -12.641 1 45.957 ? 84  GLY   B CA   1 ? 1 
ATOM   1019 C C    . GLY   A 1 72  ? -25.345 -4.844  -13.734 1 47.445 ? 84  GLY   B C    1 ? 1 
ATOM   1020 O O    . GLY   A 1 72  ? -25.048 -5.118  -14.892 1 42.883 ? 84  GLY   B O    1 ? 1 
ATOM   1021 H H    . GLY   A 1 72  ? -26.81  -6.456  -11.267 1 47.651 ? 84  GLY   B H    1 c 1 
ATOM   1022 H HA2  . GLY   A 1 72  ? -24.799 -5.658  -11.899 1 45.265 ? 84  GLY   B HA2  1 c 1 
ATOM   1023 H HA3  . GLY   A 1 72  ? -25.058 -6.772  -13.008 1 46.512 ? 84  GLY   B HA3  1 c 1 
ATOM   1024 N N    . GLN   A 1 73  ? -25.708 -3.606  -13.384 1 46.015 ? 85  GLN   B N    1 ? 1 
ATOM   1025 C CA   . GLN   A 1 73  ? -25.28  -2.451  -14.157 1 42.227 ? 85  GLN   B CA   1 ? 1 
ATOM   1026 C C    . GLN   A 1 73  ? -23.958 -1.977  -13.555 1 40.142 ? 85  GLN   B C    1 ? 1 
ATOM   1027 O O    . GLN   A 1 73  ? -23.245 -1.18   -14.139 1 37.056 ? 85  GLN   B O    1 ? 1 
ATOM   1028 C CB   . GLN   A 1 73  ? -26.357 -1.37   -14.14  1 45.811 ? 85  GLN   B CB   1 ? 1 
ATOM   1029 C CG   . GLN   A 1 73  ? -27.729 -1.879  -14.558 1 49.935 ? 85  GLN   B CG   1 ? 1 
ATOM   1030 C CD   . GLN   A 1 73  ? -28.87  -0.914  -14.309 1 52.3   ? 85  GLN   B CD   1 ? 1 
ATOM   1031 O OE1  . GLN   A 1 73  ? -28.71  0.276   -13.984 1 50.872 ? 85  GLN   B OE1  1 ? 1 
ATOM   1032 N NE2  . GLN   A 1 73  ? -30.059 -1.453  -14.51  1 51.788 ? 85  GLN   B NE2  1 ? 1 
ATOM   1033 H H    . GLN   A 1 73  ? -26.24  -3.479  -12.651 1 45.318 ? 85  GLN   B H    1 c 1 
ATOM   1034 H HA   . GLN   A 1 73  ? -25.123 -2.734  -15.094 1 44.138 ? 85  GLN   B HA   1 c 1 
ATOM   1035 H HB2  . GLN   A 1 73  ? -26.416 -0.998  -13.236 1 45.102 ? 85  GLN   B HB2  1 c 1 
ATOM   1036 H HB3  . GLN   A 1 73  ? -26.087 -0.647  -14.744 1 46.522 ? 85  GLN   B HB3  1 c 1 
ATOM   1037 H HG2  . GLN   A 1 73  ? -27.711 -2.091  -15.516 1 50.634 ? 85  GLN   B HG2  1 c 1 
ATOM   1038 H HG3  . GLN   A 1 73  ? -27.923 -2.711  -14.077 1 49.051 ? 85  GLN   B HG3  1 c 1 
ATOM   1039 H HE21 . GLN   A 1 73  ? -30.723 -0.953  -14.819 1 54.149 ? 85  GLN   B HE21 1 c 1 
ATOM   1040 H HE22 . GLN   A 1 73  ? -30.195 -2.313  -14.339 1 52.186 ? 85  GLN   B HE22 1 c 1 
ATOM   1041 N N    . VAL   A 1 74  ? -23.601 -2.518  -12.381 1 39.327 ? 86  VAL   B N    1 ? 1 
ATOM   1042 C CA   . VAL   A 1 74  ? -22.312 -2.267  -11.789 1 35.156 ? 86  VAL   B CA   1 ? 1 
ATOM   1043 C C    . VAL   A 1 74  ? -21.578 -3.583  -11.528 1 30.844 ? 86  VAL   B C    1 ? 1 
ATOM   1044 O O    . VAL   A 1 74  ? -22.14  -4.632  -11.743 1 34.003 ? 86  VAL   B O    1 ? 1 
ATOM   1045 C CB   . VAL   A 1 74  ? -22.556 -1.481  -10.498 1 35.622 ? 86  VAL   B CB   1 ? 1 
ATOM   1046 C CG1  . VAL   A 1 74  ? -22.984 -0.075  -10.829 1 36.638 ? 86  VAL   B CG1  1 ? 1 
ATOM   1047 C CG2  . VAL   A 1 74  ? -23.538 -2.184  -9.555  1 35.23  ? 86  VAL   B CG2  1 ? 1 
ATOM   1048 H H    . VAL   A 1 74  ? -24.187 -3.061  -11.938 1 38.595 ? 86  VAL   B H    1 c 1 
ATOM   1049 H HA   . VAL   A 1 74  ? -21.779 -1.723  -12.399 1 35.495 ? 86  VAL   B HA   1 c 1 
ATOM   1050 H HB   . VAL   A 1 74  ? -21.691 -1.42   -10.029 1 34.287 ? 86  VAL   B HB   1 c 1 
ATOM   1051 H HG11 . VAL   A 1 74  ? -23.836 -0.095  -11.296 1 37.844 ? 86  VAL   B HG11 1 c 1 
ATOM   1052 H HG12 . VAL   A 1 74  ? -22.314 0.344   -11.396 1 36.899 ? 86  VAL   B HG12 1 c 1 
ATOM   1053 H HG13 . VAL   A 1 74  ? -23.078 0.437   -10.008 1 36.534 ? 86  VAL   B HG13 1 c 1 
ATOM   1054 H HG21 . VAL   A 1 74  ? -23.478 -1.788  -8.67   1 34.889 ? 86  VAL   B HG21 1 c 1 
ATOM   1055 H HG22 . VAL   A 1 74  ? -23.32  -3.13   -9.5    1 34.757 ? 86  VAL   B HG22 1 c 1 
ATOM   1056 H HG23 . VAL   A 1 74  ? -24.444 -2.081  -9.892  1 36.457 ? 86  VAL   B HG23 1 c 1 
ATOM   1057 N N    . ILE   A 1 75  ? -20.336 -3.483  -11.042 1 27.079 ? 87  ILE   B N    1 ? 1 
ATOM   1058 C CA   . ILE   A 1 75  ? -19.565 -4.605  -10.54  1 26.312 ? 87  ILE   B CA   1 ? 1 
ATOM   1059 C C    . ILE   A 1 75  ? -20.283 -5.144  -9.319  1 23.321 ? 87  ILE   B C    1 ? 1 
ATOM   1060 O O    . ILE   A 1 75  ? -20.952 -4.363  -8.647  1 21.755 ? 87  ILE   B O    1 ? 1 
ATOM   1061 C CB   . ILE   A 1 75  ? -18.105 -4.222  -10.208 1 26.502 ? 87  ILE   B CB   1 ? 1 
ATOM   1062 C CG1  . ILE   A 1 75  ? -18.017 -3.006  -9.287  1 26.537 ? 87  ILE   B CG1  1 ? 1 
ATOM   1063 C CG2  . ILE   A 1 75  ? -17.263 -3.997  -11.472 1 27.847 ? 87  ILE   B CG2  1 ? 1 
ATOM   1064 C CD1  . ILE   A 1 75  ? -16.626 -2.692  -8.784  1 26.204 ? 87  ILE   B CD1  1 ? 1 
ATOM   1065 H H    . ILE   A 1 75  ? -19.946 -2.657  -11.04  1 27.9   ? 87  ILE   B H    1 c 1 
ATOM   1066 H HA   . ILE   A 1 75  ? -19.553 -5.299  -11.228 1 26.188 ? 87  ILE   B HA   1 c 1 
ATOM   1067 H HB   . ILE   A 1 75  ? -17.712 -4.976  -9.728  1 25.823 ? 87  ILE   B HB   1 c 1 
ATOM   1068 H HG12 . ILE   A 1 75  ? -18.354 -2.223  -9.768  1 27.24  ? 87  ILE   B HG12 1 c 1 
ATOM   1069 H HG13 . ILE   A 1 75  ? -18.6   -3.153  -8.515  1 26.267 ? 87  ILE   B HG13 1 c 1 
ATOM   1070 H HG21 . ILE   A 1 75  ? -16.32  -3.978  -11.239 1 27.226 ? 87  ILE   B HG21 1 c 1 
ATOM   1071 H HG22 . ILE   A 1 75  ? -17.511 -3.151  -11.882 1 28.344 ? 87  ILE   B HG22 1 c 1 
ATOM   1072 H HG23 . ILE   A 1 75  ? -17.423 -4.719  -12.103 1 27.923 ? 87  ILE   B HG23 1 c 1 
ATOM   1073 H HD11 . ILE   A 1 75  ? -16.217 -3.503  -8.426  1 25.59  ? 87  ILE   B HD11 1 c 1 
ATOM   1074 H HD12 . ILE   A 1 75  ? -16.679 -2.019  -8.08   1 26.179 ? 87  ILE   B HD12 1 c 1 
ATOM   1075 H HD13 . ILE   A 1 75  ? -16.079 -2.35   -9.517  1 26.6   ? 87  ILE   B HD13 1 c 1 
ATOM   1076 N N    . LYS   A 1 76  ? -20.116 -6.465  -9.135  1 20.617 ? 88  LYS   B N    1 ? 1 
ATOM   1077 C CA   . LYS   A 1 76  ? -20.805 -7.28   -8.156  1 21.66  ? 88  LYS   B CA   1 ? 1 
ATOM   1078 C C    . LYS   A 1 76  ? -20.585 -6.692  -6.754  1 22.083 ? 88  LYS   B C    1 ? 1 
ATOM   1079 O O    . LYS   A 1 76  ? -21.461 -6.792  -5.91   1 22.264 ? 88  LYS   B O    1 ? 1 
ATOM   1080 C CB   . LYS   A 1 76  ? -20.373 -8.757  -8.275  1 20.183 ? 88  LYS   B CB   1 ? 1 
ATOM   1081 H H    . LYS   A 1 76  ? -19.508 -6.884  -9.674  1 21.311 ? 88  LYS   B H    1 c 1 
ATOM   1082 H HA   . LYS   A 1 76  ? -21.775 -7.236  -8.356  1 22.199 ? 88  LYS   B HA   1 c 1 
ATOM   1083 H HB2  . LYS   A 1 76  ? -19.399 -8.782  -8.257  0 30     ? 88  LYS   B HB2  1 c 1 
ATOM   1084 H HB3  . LYS   A 1 76  ? -21.183 -9.301  -8.299  0 30     ? 88  LYS   B HB3  1 c 1 
ATOM   1085 N N    . ALA   A 1 77  ? -19.436 -6.051  -6.532  1 21.414 ? 89  ALA   B N    1 ? 1 
ATOM   1086 C CA   . ALA   A 1 77  ? -19.109 -5.525  -5.231  1 22.127 ? 89  ALA   B CA   1 ? 1 
ATOM   1087 C C    . ALA   A 1 77  ? -19.994 -4.346  -4.893  1 24.136 ? 89  ALA   B C    1 ? 1 
ATOM   1088 O O    . ALA   A 1 77  ? -20.184 -3.992  -3.733  1 23.119 ? 89  ALA   B O    1 ? 1 
ATOM   1089 C CB   . ALA   A 1 77  ? -17.702 -5.08   -5.232  1 21.888 ? 89  ALA   B CB   1 ? 1 
ATOM   1090 H H    . ALA   A 1 77  ? -18.831 -5.958  -7.21   1 21.487 ? 89  ALA   B H    1 c 1 
ATOM   1091 H HA   . ALA   A 1 77  ? -19.241 -6.239  -4.547  1 22.185 ? 89  ALA   B HA   1 c 1 
ATOM   1092 H HB1  . ALA   A 1 77  ? -17.117 -5.842  -5.375  1 21.557 ? 89  ALA   B HB1  1 c 1 
ATOM   1093 H HB2  . ALA   A 1 77  ? -17.564 -4.431  -5.942  1 21.994 ? 89  ALA   B HB2  1 c 1 
ATOM   1094 H HB3  . ALA   A 1 77  ? -17.49  -4.67   -4.377  1 21.819 ? 89  ALA   B HB3  1 c 1 
ATOM   1095 N N    . TRP   A 1 78  ? -20.428 -3.66   -5.931  1 24.94  ? 90  TRP   B N    1 ? 1 
ATOM   1096 C CA   . TRP   A 1 78  ? -21.241 -2.503  -5.661  1 26.843 ? 90  TRP   B CA   1 ? 1 
ATOM   1097 C C    . TRP   A 1 78  ? -22.654 -2.951  -5.33   1 28.198 ? 90  TRP   B C    1 ? 1 
ATOM   1098 O O    . TRP   A 1 78  ? -23.273 -2.432  -4.393  1 30.083 ? 90  TRP   B O    1 ? 1 
ATOM   1099 C CB   . TRP   A 1 78  ? -21.248 -1.537  -6.838  1 28.272 ? 90  TRP   B CB   1 ? 1 
ATOM   1100 C CG   . TRP   A 1 78  ? -20.258 -0.405  -6.727  1 26.649 ? 90  TRP   B CG   1 ? 1 
ATOM   1101 C CD1  . TRP   A 1 78  ? -18.917 -0.453  -6.475  1 25.648 ? 90  TRP   B CD1  1 ? 1 
ATOM   1102 C CD2  . TRP   A 1 78  ? -20.578 0.982   -6.914  1 25.441 ? 90  TRP   B CD2  1 ? 1 
ATOM   1103 N NE1  . TRP   A 1 78  ? -18.371 0.805   -6.498  1 24.321 ? 90  TRP   B NE1  1 ? 1 
ATOM   1104 C CE2  . TRP   A 1 78  ? -19.373 1.704   -6.765  1 26.128 ? 90  TRP   B CE2  1 ? 1 
ATOM   1105 C CE3  . TRP   A 1 78  ? -21.751 1.657   -7.235  1 25.387 ? 90  TRP   B CE3  1 ? 1 
ATOM   1106 C CZ2  . TRP   A 1 78  ? -19.317 3.087   -6.918  1 26.806 ? 90  TRP   B CZ2  1 ? 1 
ATOM   1107 C CZ3  . TRP   A 1 78  ? -21.681 3.013   -7.425  1 27.361 ? 90  TRP   B CZ3  1 ? 1 
ATOM   1108 C CH2  . TRP   A 1 78  ? -20.487 3.722   -7.244  1 27.539 ? 90  TRP   B CH2  1 ? 1 
ATOM   1109 H H    . TRP   A 1 78  ? -20.216 -3.888  -6.79   1 25.087 ? 90  TRP   B H    1 c 1 
ATOM   1110 H HA   . TRP   A 1 78  ? -20.865 -2.028  -4.871  1 26.641 ? 90  TRP   B HA   1 c 1 
ATOM   1111 H HB2  . TRP   A 1 78  ? -21.062 -2.039  -7.659  1 27.628 ? 90  TRP   B HB2  1 c 1 
ATOM   1112 H HB3  . TRP   A 1 78  ? -22.148 -1.158  -6.922  1 28.542 ? 90  TRP   B HB3  1 c 1 
ATOM   1113 H HD1  . TRP   A 1 78  ? -18.427 -1.241  -6.302  1 24.577 ? 90  TRP   B HD1  1 c 1 
ATOM   1114 H HE1  . TRP   A 1 78  ? -17.539 0.999   -6.35   1 24.918 ? 90  TRP   B HE1  1 c 1 
ATOM   1115 H HE3  . TRP   A 1 78  ? -22.56  1.189   -7.359  1 26.198 ? 90  TRP   B HE3  1 c 1 
ATOM   1116 H HZ2  . TRP   A 1 78  ? -18.508 3.56    -6.825  1 26.99  ? 90  TRP   B HZ2  1 c 1 
ATOM   1117 H HZ3  . TRP   A 1 78  ? -22.473 3.491   -7.61   1 28.238 ? 90  TRP   B HZ3  1 c 1 
ATOM   1118 H HH2  . TRP   A 1 78  ? -20.488 4.656   -7.347  1 28.548 ? 90  TRP   B HH2  1 c 1 
ATOM   1119 N N    . ASP   A 1 79  ? -23.126 -3.935  -6.093  1 28.521 ? 91  ASP   B N    1 ? 1 
ATOM   1120 C CA   . ASP   A 1 79  ? -24.405 -4.564  -5.805  1 27.902 ? 91  ASP   B CA   1 ? 1 
ATOM   1121 C C    . ASP   A 1 79  ? -24.37  -5.051  -4.382  1 26.499 ? 91  ASP   B C    1 ? 1 
ATOM   1122 O O    . ASP   A 1 79  ? -25.295 -4.806  -3.658  1 28.135 ? 91  ASP   B O    1 ? 1 
ATOM   1123 C CB   . ASP   A 1 79  ? -24.744 -5.674  -6.771  1 27.836 ? 91  ASP   B CB   1 ? 1 
ATOM   1124 C CG   . ASP   A 1 79  ? -25.32  -5.118  -8.052  1 29.368 ? 91  ASP   B CG   1 ? 1 
ATOM   1125 O OD1  . ASP   A 1 79  ? -25.825 -3.996  -7.966  1 29.746 ? 91  ASP   B OD1  1 ? 1 
ATOM   1126 O OD2  . ASP   A 1 79  ? -25.234 -5.784  -9.101  1 32.401 ? 91  ASP   B OD2  1 ? 1 
ATOM   1127 H H    . ASP   A 1 79  ? -22.647 -4.218  -6.818  1 27.814 ? 91  ASP   B H    1 c 1 
ATOM   1128 H HA   . ASP   A 1 79  ? -25.097 -3.875  -5.872  1 28.751 ? 91  ASP   B HA   1 c 1 
ATOM   1129 H HB2  . ASP   A 1 79  ? -23.937 -6.189  -6.981  1 27.293 ? 91  ASP   B HB2  1 c 1 
ATOM   1130 H HB3  . ASP   A 1 79  ? -25.402 -6.278  -6.366  1 28.724 ? 91  ASP   B HB3  1 c 1 
ATOM   1131 N N    . ILE   A 1 80  ? -23.268 -5.631  -3.96   1 25.225 ? 92  ILE   B N    1 ? 1 
ATOM   1132 C CA   . ILE   A 1 80  ? -23.215 -6.155  -2.608  1 26.077 ? 92  ILE   B CA   1 ? 1 
ATOM   1133 C C    . ILE   A 1 80  ? -23.129 -4.984  -1.619  1 26.388 ? 92  ILE   B C    1 ? 1 
ATOM   1134 O O    . ILE   A 1 80  ? -23.831 -4.967  -0.62   1 25.274 ? 92  ILE   B O    1 ? 1 
ATOM   1135 C CB   . ILE   A 1 80  ? -22.054 -7.172  -2.465  1 25.181 ? 92  ILE   B CB   1 ? 1 
ATOM   1136 C CG1  . ILE   A 1 80  ? -22.341 -8.457  -3.225  1 23.253 ? 92  ILE   B CG1  1 ? 1 
ATOM   1137 C CG2  . ILE   A 1 80  ? -21.744 -7.496  -0.999  1 25.457 ? 92  ILE   B CG2  1 ? 1 
ATOM   1138 C CD1  . ILE   A 1 80  ? -21.095 -9.25   -3.556  1 22.179 ? 92  ILE   B CD1  1 ? 1 
ATOM   1139 H H    . ILE   A 1 80  ? -22.543 -5.72   -4.509  1 24.855 ? 92  ILE   B H    1 c 1 
ATOM   1140 H HA   . ILE   A 1 80  ? -24.05  -6.633  -2.437  1 26.828 ? 92  ILE   B HA   1 c 1 
ATOM   1141 H HB   . ILE   A 1 80  ? -21.254 -6.768  -2.858  1 23.996 ? 92  ILE   B HB   1 c 1 
ATOM   1142 H HG12 . ILE   A 1 80  ? -22.938 -9.016  -2.686  1 24.481 ? 92  ILE   B HG12 1 c 1 
ATOM   1143 H HG13 . ILE   A 1 80  ? -22.806 -8.236  -4.057  1 24.002 ? 92  ILE   B HG13 1 c 1 
ATOM   1144 H HG21 . ILE   A 1 80  ? -21.118 -8.238  -0.953  1 25.11  ? 92  ILE   B HG21 1 c 1 
ATOM   1145 H HG22 . ILE   A 1 80  ? -22.564 -7.74   -0.539  1 26.405 ? 92  ILE   B HG22 1 c 1 
ATOM   1146 H HG23 . ILE   A 1 80  ? -21.351 -6.719  -0.568  1 25.208 ? 92  ILE   B HG23 1 c 1 
ATOM   1147 H HD11 . ILE   A 1 80  ? -20.468 -8.684  -4.044  1 21.631 ? 92  ILE   B HD11 1 c 1 
ATOM   1148 H HD12 . ILE   A 1 80  ? -21.336 -10.017 -4.109  1 22.647 ? 92  ILE   B HD12 1 c 1 
ATOM   1149 H HD13 . ILE   A 1 80  ? -20.674 -9.565  -2.734  1 22.186 ? 92  ILE   B HD13 1 c 1 
ATOM   1150 N N    . GLY   A 1 81  ? -22.255 -4.009  -1.882  1 25.232 ? 93  GLY   B N    1 ? 1 
ATOM   1151 C CA   . GLY   A 1 81  ? -21.887 -3.083  -0.826  1 26.245 ? 93  GLY   B CA   1 ? 1 
ATOM   1152 C C    . GLY   A 1 81  ? -22.964 -2.029  -0.622  1 26.17  ? 93  GLY   B C    1 ? 1 
ATOM   1153 O O    . GLY   A 1 81  ? -23.435 -1.722  0.475   1 25.157 ? 93  GLY   B O    1 ? 1 
ATOM   1154 H H    . GLY   A 1 81  ? -21.884 -3.921  -2.712  1 25.13  ? 93  GLY   B H    1 c 1 
ATOM   1155 H HA2  . GLY   A 1 81  ? -21.748 -3.582  0.013   1 25.865 ? 93  GLY   B HA2  1 c 1 
ATOM   1156 H HA3  . GLY   A 1 81  ? -21.036 -2.644  -1.064  1 25.251 ? 93  GLY   B HA3  1 c 1 
ATOM   1157 N N    . VAL   A 1 82  ? -23.403 -1.518  -1.759  1 27.907 ? 94  VAL   B N    1 ? 1 
ATOM   1158 C CA   . VAL   A 1 82  ? -24.434 -0.506  -1.725  1 29.257 ? 94  VAL   B CA   1 ? 1 
ATOM   1159 C C    . VAL   A 1 82  ? -25.646 -1.05   -0.989  1 28.759 ? 94  VAL   B C    1 ? 1 
ATOM   1160 O O    . VAL   A 1 82  ? -26.223 -0.359  -0.178  1 29.148 ? 94  VAL   B O    1 ? 1 
ATOM   1161 C CB   . VAL   A 1 82  ? -24.786 0.013   -3.122  1 29.477 ? 94  VAL   B CB   1 ? 1 
ATOM   1162 C CG1  . VAL   A 1 82  ? -26.011 0.926   -3.095  1 30.764 ? 94  VAL   B CG1  1 ? 1 
ATOM   1163 C CG2  . VAL   A 1 82  ? -23.581 0.77    -3.669  1 29.683 ? 94  VAL   B CG2  1 ? 1 
ATOM   1164 H H    . VAL   A 1 82  ? -23.062 -1.793  -2.562  1 27.061 ? 94  VAL   B H    1 c 1 
ATOM   1165 H HA   . VAL   A 1 82  ? -24.088 0.247   -1.208  1 28.997 ? 94  VAL   B HA   1 c 1 
ATOM   1166 H HB   . VAL   A 1 82  ? -24.975 -0.764  -3.697  1 29.457 ? 94  VAL   B HB   1 c 1 
ATOM   1167 H HG11 . VAL   A 1 82  ? -25.958 1.52    -2.327  1 31.187 ? 94  VAL   B HG11 1 c 1 
ATOM   1168 H HG12 . VAL   A 1 82  ? -26.819 0.389   -3.033  1 31.519 ? 94  VAL   B HG12 1 c 1 
ATOM   1169 H HG13 . VAL   A 1 82  ? -26.038 1.455   -3.909  1 31.252 ? 94  VAL   B HG13 1 c 1 
ATOM   1170 H HG21 . VAL   A 1 82  ? -23.804 1.153   -4.534  1 29.893 ? 94  VAL   B HG21 1 c 1 
ATOM   1171 H HG22 . VAL   A 1 82  ? -22.831 0.16    -3.771  1 28.492 ? 94  VAL   B HG22 1 c 1 
ATOM   1172 H HG23 . VAL   A 1 82  ? -23.337 1.482   -3.054  1 29.641 ? 94  VAL   B HG23 1 c 1 
ATOM   1173 N N    . ALA   A 1 83  ? -26.028 -2.286  -1.291  1 28.911 ? 95  ALA   B N    1 ? 1 
ATOM   1174 C CA   . ALA   A 1 83  ? -27.157 -2.869  -0.604  1 30.706 ? 95  ALA   B CA   1 ? 1 
ATOM   1175 C C    . ALA   A 1 83  ? -27.002 -2.868  0.934   1 30.646 ? 95  ALA   B C    1 ? 1 
ATOM   1176 O O    . ALA   A 1 83  ? -28.015 -3.012  1.583   1 31.472 ? 95  ALA   B O    1 ? 1 
ATOM   1177 C CB   . ALA   A 1 83  ? -27.424 -4.251  -1.153  1 30.279 ? 95  ALA   B CB   1 ? 1 
ATOM   1178 H H    . ALA   A 1 83  ? -25.588 -2.768  -1.931  1 28.264 ? 95  ALA   B H    1 c 1 
ATOM   1179 H HA   . ALA   A 1 83  ? -27.947 -2.304  -0.814  1 31.592 ? 95  ALA   B HA   1 c 1 
ATOM   1180 H HB1  . ALA   A 1 83  ? -27.414 -4.226  -2.124  1 30.266 ? 95  ALA   B HB1  1 c 1 
ATOM   1181 H HB2  . ALA   A 1 83  ? -26.738 -4.864  -0.84   1 29.657 ? 95  ALA   B HB2  1 c 1 
ATOM   1182 H HB3  . ALA   A 1 83  ? -28.293 -4.56   -0.849  1 31.704 ? 95  ALA   B HB3  1 c 1 
ATOM   1183 N N    . THR   A 1 84  ? -25.809 -2.695  1.537   1 28.816 ? 96  THR   B N    1 ? 1 
ATOM   1184 C CA   . THR   A 1 84  ? -25.686 -2.656  2.995   1 29.504 ? 96  THR   B CA   1 ? 1 
ATOM   1185 C C    . THR   A 1 84  ? -25.803 -1.242  3.573   1 31.565 ? 96  THR   B C    1 ? 1 
ATOM   1186 O O    . THR   A 1 84  ? -25.742 -1.096  4.789   1 34.528 ? 96  THR   B O    1 ? 1 
ATOM   1187 C CB   . THR   A 1 84  ? -24.338 -3.214  3.471   1 28.381 ? 96  THR   B CB   1 ? 1 
ATOM   1188 O OG1  . THR   A 1 84  ? -23.295 -2.309  3.113   1 27.19  ? 96  THR   B OG1  1 ? 1 
ATOM   1189 C CG2  . THR   A 1 84  ? -24.005 -4.588  2.928   1 26.483 ? 96  THR   B CG2  1 ? 1 
ATOM   1190 H H    . THR   A 1 84  ? -25.052 -2.62   1.032   1 27.962 ? 96  THR   B H    1 c 1 
ATOM   1191 H HA   . THR   A 1 84  ? -26.4   -3.21   3.38    1 30.724 ? 96  THR   B HA   1 c 1 
ATOM   1192 H HB   . THR   A 1 84  ? -24.365 -3.287  4.455   1 28.953 ? 96  THR   B HB   1 c 1 
ATOM   1193 H HG1  . THR   A 1 84  ? -23.327 -2.191  2.249   0 30     ? 96  THR   B HG1  1 c 1 
ATOM   1194 H HG21 . THR   A 1 84  ? -23.192 -4.914  3.348   1 26.397 ? 96  THR   B HG21 1 c 1 
ATOM   1195 H HG22 . THR   A 1 84  ? -23.874 -4.535  1.968   1 26.069 ? 96  THR   B HG22 1 c 1 
ATOM   1196 H HG23 . THR   A 1 84  ? -24.736 -5.199  3.122   1 27.672 ? 96  THR   B HG23 1 c 1 
ATOM   1197 N N    . MET   A 1 85  ? -25.943 -0.201  2.744   1 33.024 ? 97  MET   B N    1 ? 1 
ATOM   1198 C CA   . MET   A 1 85  ? -25.859 1.192   3.188   1 34.551 ? 97  MET   B CA   1 ? 1 
ATOM   1199 C C    . MET   A 1 85  ? -27.24  1.824   3.496   1 39.97  ? 97  MET   B C    1 ? 1 
ATOM   1200 O O    . MET   A 1 85  ? -28.266 1.346   3.03    1 40.283 ? 97  MET   B O    1 ? 1 
ATOM   1201 C CB   . MET   A 1 85  ? -25.166 2.057   2.127   1 32.046 ? 97  MET   B CB   1 ? 1 
ATOM   1202 C CG   . MET   A 1 85  ? -23.749 1.622   1.799   1 31.868 ? 97  MET   B CG   1 ? 1 
ATOM   1203 S SD   . MET   A 1 85  ? -22.911 2.649   0.562   1 30.678 ? 97  MET   B SD   1 ? 1 
ATOM   1204 C CE   . MET   A 1 85  ? -23.021 4.341   1.175   1 34.047 ? 97  MET   B CE   1 ? 1 
ATOM   1205 H H    . MET   A 1 85  ? -26.099 -0.361  1.859   1 32.358 ? 97  MET   B H    1 c 1 
ATOM   1206 H HA   . MET   A 1 85  ? -25.321 1.213   4.018   1 34.625 ? 97  MET   B HA   1 c 1 
ATOM   1207 H HB2  . MET   A 1 85  ? -25.704 2.035   1.307   1 32.85  ? 97  MET   B HB2  1 c 1 
ATOM   1208 H HB3  . MET   A 1 85  ? -25.149 2.984   2.447   1 33.527 ? 97  MET   B HB3  1 c 1 
ATOM   1209 H HG2  . MET   A 1 85  ? -23.216 1.63    2.617   1 31.378 ? 97  MET   B HG2  1 c 1 
ATOM   1210 H HG3  . MET   A 1 85  ? -23.768 0.702   1.471   1 30.693 ? 97  MET   B HG3  1 c 1 
ATOM   1211 H HE1  . MET   A 1 85  ? -22.734 4.958   0.478   1 33.705 ? 97  MET   B HE1  1 c 1 
ATOM   1212 H HE2  . MET   A 1 85  ? -23.944 4.54    1.42    1 34.5   ? 97  MET   B HE2  1 c 1 
ATOM   1213 H HE3  . MET   A 1 85  ? -22.448 4.441   1.957   1 33.69  ? 97  MET   B HE3  1 c 1 
ATOM   1214 N N    . LYS   A 1 86  ? -27.246 2.947   4.255   1 41.782 ? 98  LYS   B N    1 ? 1 
ATOM   1215 C CA   . LYS   A 1 86  ? -28.432 3.738   4.537   1 44.856 ? 98  LYS   B CA   1 ? 1 
ATOM   1216 C C    . LYS   A 1 86  ? -28.356 5.077   3.808   1 43.553 ? 98  LYS   B C    1 ? 1 
ATOM   1217 O O    . LYS   A 1 86  ? -27.273 5.585   3.51    1 40.062 ? 98  LYS   B O    1 ? 1 
ATOM   1218 C CB   . LYS   A 1 86  ? -28.578 3.936   6.047   1 49.518 ? 98  LYS   B CB   1 ? 1 
ATOM   1219 C CG   . LYS   A 1 86  ? -28.706 2.617   6.774   1 53.668 ? 98  LYS   B CG   1 ? 1 
ATOM   1220 C CD   . LYS   A 1 86  ? -28.453 2.72    8.267   1 60.181 ? 98  LYS   B CD   1 ? 1 
ATOM   1221 C CE   . LYS   A 1 86  ? -28.583 1.38    8.949   1 63.536 ? 98  LYS   B CE   1 ? 1 
ATOM   1222 N NZ   . LYS   A 1 86  ? -29.166 1.578   10.288  1 66.936 ? 98  LYS   B NZ   1 ? 1 
ATOM   1223 H H    . LYS   A 1 86  ? -26.452 3.226   4.613   1 41.294 ? 98  LYS   B H    1 c 1 
ATOM   1224 H HA   . LYS   A 1 86  ? -29.224 3.243   4.208   1 45.291 ? 98  LYS   B HA   1 c 1 
ATOM   1225 H HB2  . LYS   A 1 86  ? -27.793 4.415   6.391   1 49.319 ? 98  LYS   B HB2  1 c 1 
ATOM   1226 H HB3  . LYS   A 1 86  ? -29.372 4.48    6.229   1 51.176 ? 98  LYS   B HB3  1 c 1 
ATOM   1227 H HG2  . LYS   A 1 86  ? -29.611 2.266   6.627   1 54.643 ? 98  LYS   B HG2  1 c 1 
ATOM   1228 H HG3  . LYS   A 1 86  ? -28.069 1.979   6.386   1 52.187 ? 98  LYS   B HG3  1 c 1 
ATOM   1229 H HD2  . LYS   A 1 86  ? -27.549 3.072   8.418   1 58.892 ? 98  LYS   B HD2  1 c 1 
ATOM   1230 H HD3  . LYS   A 1 86  ? -29.097 3.348   8.661   1 61.211 ? 98  LYS   B HD3  1 c 1 
ATOM   1231 H HE2  . LYS   A 1 86  ? -29.159 0.79    8.431   1 62.844 ? 98  LYS   B HE2  1 c 1 
ATOM   1232 H HE3  . LYS   A 1 86  ? -27.707 0.963   9.037   1 61.907 ? 98  LYS   B HE3  1 c 1 
ATOM   1233 H HZ1  . LYS   A 1 86  ? -30.027 1.85    10.211  1 67.786 ? 98  LYS   B HZ1  1 c 1 
ATOM   1234 H HZ2  . LYS   A 1 86  ? -28.694 2.206   10.741  1 66.917 ? 98  LYS   B HZ2  1 c 1 
ATOM   1235 H HZ3  . LYS   A 1 86  ? -29.142 0.799   10.75   1 66.989 ? 98  LYS   B HZ3  1 c 1 
ATOM   1236 N N    . LYS   A 1 87  ? -29.544 5.615   3.503   1 45.181 ? 99  LYS   B N    1 ? 1 
ATOM   1237 C CA   . LYS   A 1 87  ? -29.681 6.953   2.957   1 45.703 ? 99  LYS   B CA   1 ? 1 
ATOM   1238 C C    . LYS   A 1 87  ? -28.895 7.858   3.879   1 43.754 ? 99  LYS   B C    1 ? 1 
ATOM   1239 O O    . LYS   A 1 87  ? -29.178 7.88    5.078   1 43.758 ? 99  LYS   B O    1 ? 1 
ATOM   1240 C CB   . LYS   A 1 87  ? -31.124 7.462   2.931   1 49.01  ? 99  LYS   B CB   1 ? 1 
ATOM   1241 C CG   . LYS   A 1 87  ? -31.308 8.798   2.252   1 51.976 ? 99  LYS   B CG   1 ? 1 
ATOM   1242 C CD   . LYS   A 1 87  ? -32.774 9.22    2.278   1 55.536 ? 99  LYS   B CD   1 ? 1 
ATOM   1243 C CE   . LYS   A 1 87  ? -33.09  10.206  1.219   1 57.076 ? 99  LYS   B CE   1 ? 1 
ATOM   1244 N NZ   . LYS   A 1 87  ? -34.517 10.527  1.268   1 60.775 ? 99  LYS   B NZ   1 ? 1 
ATOM   1245 H H    . LYS   A 1 87  ? -30.301 5.124   3.644   1 45.84  ? 99  LYS   B H    1 c 1 
ATOM   1246 H HA   . LYS   A 1 87  ? -29.289 6.972   2.047   1 44.504 ? 99  LYS   B HA   1 c 1 
ATOM   1247 H HB2  . LYS   A 1 87  ? -31.681 6.8     2.469   1 49.172 ? 99  LYS   B HB2  1 c 1 
ATOM   1248 H HB3  . LYS   A 1 87  ? -31.452 7.534   3.853   1 50.197 ? 99  LYS   B HB3  1 c 1 
ATOM   1249 H HG2  . LYS   A 1 87  ? -30.764 9.473   2.711   1 51.941 ? 99  LYS   B HG2  1 c 1 
ATOM   1250 H HG3  . LYS   A 1 87  ? -31.003 8.728   1.322   1 50.88  ? 99  LYS   B HG3  1 c 1 
ATOM   1251 H HD2  . LYS   A 1 87  ? -33.341 8.427   2.158   1 55.419 ? 99  LYS   B HD2  1 c 1 
ATOM   1252 H HD3  . LYS   A 1 87  ? -32.98  9.612   3.155   1 56.565 ? 99  LYS   B HD3  1 c 1 
ATOM   1253 H HE2  . LYS   A 1 87  ? -32.573 11.02   1.359   1 57.434 ? 99  LYS   B HE2  1 c 1 
ATOM   1254 H HE3  . LYS   A 1 87  ? -32.865 9.844   0.345   1 56.136 ? 99  LYS   B HE3  1 c 1 
ATOM   1255 H HZ1  . LYS   A 1 87  ? -34.734 10.842  2.089   1 61.504 ? 99  LYS   B HZ1  1 c 1 
ATOM   1256 H HZ2  . LYS   A 1 87  ? -35.005 9.783   1.096   1 60.447 ? 99  LYS   B HZ2  1 c 1 
ATOM   1257 H HZ3  . LYS   A 1 87  ? -34.71  11.159  0.647   1 61.448 ? 99  LYS   B HZ3  1 c 1 
ATOM   1258 N N    . GLY   A 1 88  ? -27.862 8.466   3.294   1 40.763 ? 100 GLY   B N    1 ? 1 
ATOM   1259 C CA   . GLY   A 1 88  ? -27.055 9.461   3.962   1 41.887 ? 100 GLY   B CA   1 ? 1 
ATOM   1260 C C    . GLY   A 1 88  ? -25.693 8.906   4.361   1 40.176 ? 100 GLY   B C    1 ? 1 
ATOM   1261 O O    . GLY   A 1 88  ? -24.806 9.653   4.759   1 42.231 ? 100 GLY   B O    1 ? 1 
ATOM   1262 H H    . GLY   A 1 88  ? -27.65  8.245   2.433   1 40.477 ? 100 GLY   B H    1 c 1 
ATOM   1263 H HA2  . GLY   A 1 88  ? -26.931 10.231  3.359   1 42.261 ? 100 GLY   B HA2  1 c 1 
ATOM   1264 H HA3  . GLY   A 1 88  ? -27.529 9.78    4.766   1 43.172 ? 100 GLY   B HA3  1 c 1 
ATOM   1265 N N    . GLU   A 1 89  ? -25.541 7.59    4.277   1 36.61  ? 101 GLU   B N    1 ? 1 
ATOM   1266 C CA   . GLU   A 1 89  ? -24.294 6.975   4.665   1 33.783 ? 101 GLU   B CA   1 ? 1 
ATOM   1267 C C    . GLU   A 1 89  ? -23.219 7.221   3.594   1 31.923 ? 101 GLU   B C    1 ? 1 
ATOM   1268 O O    . GLU   A 1 89  ? -23.434 7.221   2.365   1 30.515 ? 101 GLU   B O    1 ? 1 
ATOM   1269 C CB   . GLU   A 1 89  ? -24.59  5.495   4.915   1 32.485 ? 101 GLU   B CB   1 ? 1 
ATOM   1270 C CG   . GLU   A 1 89  ? -23.388 4.642   5.314   1 29.971 ? 101 GLU   B CG   1 ? 1 
ATOM   1271 C CD   . GLU   A 1 89  ? -23.712 3.152   5.382   1 28.73  ? 101 GLU   B CD   1 ? 1 
ATOM   1272 O OE1  . GLU   A 1 89  ? -24.799 2.804   5.922   1 28.73  ? 101 GLU   B OE1  1 ? 1 
ATOM   1273 O OE2  . GLU   A 1 89  ? -22.861 2.321   4.919   1 26.681 ? 101 GLU   B OE2  1 ? 1 
ATOM   1274 H H    . GLU   A 1 89  ? -26.222 7.063   3.972   1 36.574 ? 101 GLU   B H    1 c 1 
ATOM   1275 H HA   . GLU   A 1 89  ? -24.002 7.385   5.515   1 34.798 ? 101 GLU   B HA   1 c 1 
ATOM   1276 H HB2  . GLU   A 1 89  ? -25.271 5.426   5.616   1 33.351 ? 101 GLU   B HB2  1 c 1 
ATOM   1277 H HB3  . GLU   A 1 89  ? -24.965 5.11    4.097   1 31.663 ? 101 GLU   B HB3  1 c 1 
ATOM   1278 H HG2  . GLU   A 1 89  ? -22.665 4.776   4.666   1 29.283 ? 101 GLU   B HG2  1 c 1 
ATOM   1279 H HG3  . GLU   A 1 89  ? -23.064 4.932   6.192   1 30.978 ? 101 GLU   B HG3  1 c 1 
ATOM   1280 N N    . ILE   A 1 90  ? -22.019 7.388   4.12    1 30.577 ? 102 ILE   B N    1 ? 1 
ATOM   1281 C CA   . ILE   A 1 90  ? -20.821 7.307   3.331   1 29.589 ? 102 ILE   B CA   1 ? 1 
ATOM   1282 C C    . ILE   A 1 90  ? -20.004 6.161   3.879   1 28.393 ? 102 ILE   B C    1 ? 1 
ATOM   1283 O O    . ILE   A 1 90  ? -19.841 6.012   5.082   1 29.972 ? 102 ILE   B O    1 ? 1 
ATOM   1284 C CB   . ILE   A 1 90  ? -20.012 8.607   3.368   1 30.963 ? 102 ILE   B CB   1 ? 1 
ATOM   1285 C CG1  . ILE   A 1 90  ? -20.808 9.745   2.786   1 33.223 ? 102 ILE   B CG1  1 ? 1 
ATOM   1286 C CG2  . ILE   A 1 90  ? -18.706 8.398   2.623   1 30.078 ? 102 ILE   B CG2  1 ? 1 
ATOM   1287 C CD1  . ILE   A 1 90  ? -20.276 11.132  3.097   1 35.947 ? 102 ILE   B CD1  1 ? 1 
ATOM   1288 H H    . ILE   A 1 90  ? -21.941 7.565   5.013   1 31.741 ? 102 ILE   B H    1 c 1 
ATOM   1289 H HA   . ILE   A 1 90  ? -21.063 7.116   2.409   1 28.948 ? 102 ILE   B HA   1 c 1 
ATOM   1290 H HB   . ILE   A 1 90  ? -19.808 8.818   4.301   1 31.98  ? 102 ILE   B HB   1 c 1 
ATOM   1291 H HG12 . ILE   A 1 90  ? -20.838 9.635   1.815   1 32.56  ? 102 ILE   B HG12 1 c 1 
ATOM   1292 H HG13 . ILE   A 1 90  ? -21.727 9.685   3.119   1 33.605 ? 102 ILE   B HG13 1 c 1 
ATOM   1293 H HG21 . ILE   A 1 90  ? -18.31  9.259   2.408   1 31.08  ? 102 ILE   B HG21 1 c 1 
ATOM   1294 H HG22 . ILE   A 1 90  ? -18.875 7.908   1.8     1 29.072 ? 102 ILE   B HG22 1 c 1 
ATOM   1295 H HG23 . ILE   A 1 90  ? -18.089 7.892   3.179   1 29.708 ? 102 ILE   B HG23 1 c 1 
ATOM   1296 H HD11 . ILE   A 1 90  ? -20.154 11.227  4.061   1 36.445 ? 102 ILE   B HD11 1 c 1 
ATOM   1297 H HD12 . ILE   A 1 90  ? -20.912 11.803  2.784   1 36.764 ? 102 ILE   B HD12 1 c 1 
ATOM   1298 H HD13 . ILE   A 1 90  ? -19.419 11.265  2.649   1 35.527 ? 102 ILE   B HD13 1 c 1 
ATOM   1299 N N    . ALA   A 1 91  ? -19.489 5.378   2.955   1 26.521 ? 103 ALA   B N    1 ? 1 
ATOM   1300 C CA   . ALA   A 1 91  ? -18.694 4.237   3.291   1 26.05  ? 103 ALA   B CA   1 ? 1 
ATOM   1301 C C    . ALA   A 1 91  ? -17.532 4.104   2.317   1 26.812 ? 103 ALA   B C    1 ? 1 
ATOM   1302 O O    . ALA   A 1 91  ? -17.597 4.639   1.208   1 26.709 ? 103 ALA   B O    1 ? 1 
ATOM   1303 C CB   . ALA   A 1 91  ? -19.58  3.059   3.19    1 25.032 ? 103 ALA   B CB   1 ? 1 
ATOM   1304 H H    . ALA   A 1 91  ? -19.639 5.564   2.072   1 26.459 ? 103 ALA   B H    1 c 1 
ATOM   1305 H HA   . ALA   A 1 91  ? -18.342 4.333   4.218   1 26.913 ? 103 ALA   B HA   1 c 1 
ATOM   1306 H HB1  . ALA   A 1 91  ? -20.322 3.154   3.81    1 25.855 ? 103 ALA   B HB1  1 c 1 
ATOM   1307 H HB2  . ALA   A 1 91  ? -19.927 2.987   2.284   1 24.591 ? 103 ALA   B HB2  1 c 1 
ATOM   1308 H HB3  . ALA   A 1 91  ? -19.081 2.254   3.408   1 24.505 ? 103 ALA   B HB3  1 c 1 
ATOM   1309 N N    . HIS   A 1 92  ? -16.519 3.329   2.756   1 27.072 ? 104 HIS   B N    1 ? 1 
ATOM   1310 C CA   . HIS   A 1 92  ? -15.33  2.978   2.008   1 25.336 ? 104 HIS   B CA   1 ? 1 
ATOM   1311 C C    . HIS   A 1 92  ? -15.375 1.485   1.686   1 27.522 ? 104 HIS   B C    1 ? 1 
ATOM   1312 O O    . HIS   A 1 92  ? -15.647 0.655   2.563   1 29.219 ? 104 HIS   B O    1 ? 1 
ATOM   1313 C CB   . HIS   A 1 92  ? -14.08  3.28    2.829   1 25.763 ? 104 HIS   B CB   1 ? 1 
ATOM   1314 C CG   . HIS   A 1 92  ? -13.679 4.758   2.901   1 26.778 ? 104 HIS   B CG   1 ? 1 
ATOM   1315 N ND1  . HIS   A 1 92  ? -12.54  5.218   3.539   1 26.555 ? 104 HIS   B ND1  1 ? 1 
ATOM   1316 C CD2  . HIS   A 1 92  ? -14.256 5.839   2.325   1 26.005 ? 104 HIS   B CD2  1 ? 1 
ATOM   1317 C CE1  . HIS   A 1 92  ? -12.475 6.53    3.378   1 28.162 ? 104 HIS   B CE1  1 ? 1 
ATOM   1318 N NE2  . HIS   A 1 92  ? -13.513 6.919   2.639   1 27.543 ? 104 HIS   B NE2  1 ? 1 
ATOM   1319 H H    . HIS   A 1 92  ? -16.592 2.993   3.603   1 26.914 ? 104 HIS   B H    1 c 1 
ATOM   1320 H HA   . HIS   A 1 92  ? -15.311 3.489   1.164   1 26.067 ? 104 HIS   B HA   1 c 1 
ATOM   1321 H HB2  . HIS   A 1 92  ? -14.221 2.947   3.742   1 26.097 ? 104 HIS   B HB2  1 c 1 
ATOM   1322 H HB3  . HIS   A 1 92  ? -13.33  2.77    2.451   1 25.308 ? 104 HIS   B HB3  1 c 1 
ATOM   1323 H HD1  . HIS   A 1 92  ? -11.971 4.753   4.005   0 30     ? 104 HIS   B HD1  1 c 1 
ATOM   1324 H HD2  . HIS   A 1 92  ? -15.042 5.847   1.815   1 25.829 ? 104 HIS   B HD2  1 c 1 
ATOM   1325 H HE1  . HIS   A 1 92  ? -11.805 7.092   3.729   1 29.433 ? 104 HIS   B HE1  1 c 1 
ATOM   1326 H HE2  . HIS   A 1 92  ? -13.693 7.754   2.391   0 30     ? 104 HIS   B HE2  1 c 1 
ATOM   1327 N N    . LEU   A 1 93  ? -15.037 1.152   0.425   1 27.098 ? 105 LEU   B N    1 ? 1 
ATOM   1328 C CA   . LEU   A 1 93  ? -14.979 -0.226  -0.013  1 26.229 ? 105 LEU   B CA   1 ? 1 
ATOM   1329 C C    . LEU   A 1 93  ? -13.616 -0.548  -0.595  1 26.292 ? 105 LEU   B C    1 ? 1 
ATOM   1330 O O    . LEU   A 1 93  ? -13.07  0.245   -1.351  1 29.506 ? 105 LEU   B O    1 ? 1 
ATOM   1331 C CB   . LEU   A 1 93  ? -16.08  -0.485  -1.04   1 25.928 ? 105 LEU   B CB   1 ? 1 
ATOM   1332 C CG   . LEU   A 1 93  ? -17.526 -0.396  -0.533  1 25.047 ? 105 LEU   B CG   1 ? 1 
ATOM   1333 C CD1  . LEU   A 1 93  ? -18.43  -0.777  -1.656  1 23.456 ? 105 LEU   B CD1  1 ? 1 
ATOM   1334 C CD2  . LEU   A 1 93  ? -17.813 -1.303  0.673   1 26.031 ? 105 LEU   B CD2  1 ? 1 
ATOM   1335 H H    . LEU   A 1 93  ? -14.837 1.812   -0.175  1 27.265 ? 105 LEU   B H    1 c 1 
ATOM   1336 H HA   . LEU   A 1 93  ? -15.129 -0.804  0.77    1 26.262 ? 105 LEU   B HA   1 c 1 
ATOM   1337 H HB2  . LEU   A 1 93  ? -15.97  0.161   -1.775  1 25.768 ? 105 LEU   B HB2  1 c 1 
ATOM   1338 H HB3  . LEU   A 1 93  ? -15.94  -1.385  -1.417  1 24.96  ? 105 LEU   B HB3  1 c 1 
ATOM   1339 H HG   . LEU   A 1 93  ? -17.714 0.544   -0.278  1 25.846 ? 105 LEU   B HG   1 c 1 
ATOM   1340 H HD11 . LEU   A 1 93  ? -18.283 -0.18   -2.409  1 23.977 ? 105 LEU   B HD11 1 c 1 
ATOM   1341 H HD12 . LEU   A 1 93  ? -19.355 -0.709  -1.366  1 24.265 ? 105 LEU   B HD12 1 c 1 
ATOM   1342 H HD13 . LEU   A 1 93  ? -18.244 -1.691  -1.928  1 23.303 ? 105 LEU   B HD13 1 c 1 
ATOM   1343 H HD21 . LEU   A 1 93  ? -17.365 -0.95   1.459   1 26.258 ? 105 LEU   B HD21 1 c 1 
ATOM   1344 H HD22 . LEU   A 1 93  ? -17.486 -2.2    0.49    1 25.244 ? 105 LEU   B HD22 1 c 1 
ATOM   1345 H HD23 . LEU   A 1 93  ? -18.771 -1.336  0.834   1 26.076 ? 105 LEU   B HD23 1 c 1 
ATOM   1346 N N    . LEU   A 1 94  ? -13.084 -1.714  -0.232  1 24.852 ? 106 LEU   B N    1 ? 1 
ATOM   1347 C CA   . LEU   A 1 94  ? -11.914 -2.266  -0.892  1 25.52  ? 106 LEU   B CA   1 ? 1 
ATOM   1348 C C    . LEU   A 1 94  ? -12.341 -3.594  -1.503  1 25.403 ? 106 LEU   B C    1 ? 1 
ATOM   1349 O O    . LEU   A 1 94  ? -12.951 -4.421  -0.814  1 24.721 ? 106 LEU   B O    1 ? 1 
ATOM   1350 C CB   . LEU   A 1 94  ? -10.729 -2.436  0.049   1 26.079 ? 106 LEU   B CB   1 ? 1 
ATOM   1351 C CG   . LEU   A 1 94  ? -9.365  -2.678  -0.605  1 26.92  ? 106 LEU   B CG   1 ? 1 
ATOM   1352 C CD1  . LEU   A 1 94  ? -8.988  -1.456  -1.415  1 26.927 ? 106 LEU   B CD1  1 ? 1 
ATOM   1353 C CD2  . LEU   A 1 94  ? -8.217  -3.041  0.387   1 27.044 ? 106 LEU   B CD2  1 ? 1 
ATOM   1354 H H    . LEU   A 1 94  ? -13.462 -2.185  0.454   1 25.292 ? 106 LEU   B H    1 c 1 
ATOM   1355 H HA   . LEU   A 1 94  ? -11.657 -1.654  -1.626  1 25.64  ? 106 LEU   B HA   1 c 1 
ATOM   1356 H HB2  . LEU   A 1 94  ? -10.664 -1.627  0.607   1 26.985 ? 106 LEU   B HB2  1 c 1 
ATOM   1357 H HB3  . LEU   A 1 94  ? -10.922 -3.192  0.651   1 26.134 ? 106 LEU   B HB3  1 c 1 
ATOM   1358 H HG   . LEU   A 1 94  ? -9.462  -3.437  -1.237  1 25.876 ? 106 LEU   B HG   1 c 1 
ATOM   1359 H HD11 . LEU   A 1 94  ? -9.513  -1.432  -2.231  1 26.554 ? 106 LEU   B HD11 1 c 1 
ATOM   1360 H HD12 . LEU   A 1 94  ? -8.044  -1.495  -1.641  1 27.706 ? 106 LEU   B HD12 1 c 1 
ATOM   1361 H HD13 . LEU   A 1 94  ? -9.163  -0.654  -0.895  1 27.697 ? 106 LEU   B HD13 1 c 1 
ATOM   1362 H HD21 . LEU   A 1 94  ? -8.443  -3.86   0.858   1 27.073 ? 106 LEU   B HD21 1 c 1 
ATOM   1363 H HD22 . LEU   A 1 94  ? -8.104  -2.319  1.027   1 28.159 ? 106 LEU   B HD22 1 c 1 
ATOM   1364 H HD23 . LEU   A 1 94  ? -7.388  -3.169  -0.105  1 27.67  ? 106 LEU   B HD23 1 c 1 
ATOM   1365 N N    . ILE   A 1 95  ? -12.013 -3.783  -2.79   1 23.404 ? 107 ILE   B N    1 ? 1 
ATOM   1366 C CA   . ILE   A 1 95  ? -12.63  -4.857  -3.556  1 24.758 ? 107 ILE   B CA   1 ? 1 
ATOM   1367 C C    . ILE   A 1 95  ? -11.577 -5.733  -4.226  1 26.195 ? 107 ILE   B C    1 ? 1 
ATOM   1368 O O    . ILE   A 1 95  ? -10.677 -5.204  -4.866  1 30.798 ? 107 ILE   B O    1 ? 1 
ATOM   1369 C CB   . ILE   A 1 95  ? -13.539 -4.199  -4.608  1 26.422 ? 107 ILE   B CB   1 ? 1 
ATOM   1370 C CG1  . ILE   A 1 95  ? -14.737 -3.504  -3.926  1 25.661 ? 107 ILE   B CG1  1 ? 1 
ATOM   1371 C CG2  . ILE   A 1 95  ? -13.955 -5.217  -5.672  1 25.464 ? 107 ILE   B CG2  1 ? 1 
ATOM   1372 C CD1  . ILE   A 1 95  ? -15.24  -2.26   -4.604  1 25.355 ? 107 ILE   B CD1  1 ? 1 
ATOM   1373 H H    . ILE   A 1 95  ? -11.396 -3.241  -3.194  1 24.597 ? 107 ILE   B H    1 c 1 
ATOM   1374 H HA   . ILE   A 1 95  ? -13.176 -5.405  -2.962  1 24.787 ? 107 ILE   B HA   1 c 1 
ATOM   1375 H HB   . ILE   A 1 95  ? -13.014 -3.505  -5.054  1 26.121 ? 107 ILE   B HB   1 c 1 
ATOM   1376 H HG12 . ILE   A 1 95  ? -15.472 -4.146  -3.87   1 25.426 ? 107 ILE   B HG12 1 c 1 
ATOM   1377 H HG13 . ILE   A 1 95  ? -14.483 -3.272  -3.011  1 25.819 ? 107 ILE   B HG13 1 c 1 
ATOM   1378 H HG21 . ILE   A 1 95  ? -14.733 -4.885  -6.152  1 25.782 ? 107 ILE   B HG21 1 c 1 
ATOM   1379 H HG22 . ILE   A 1 95  ? -14.178 -6.062  -5.246  1 25.448 ? 107 ILE   B HG22 1 c 1 
ATOM   1380 H HG23 . ILE   A 1 95  ? -13.225 -5.352  -6.298  1 25.758 ? 107 ILE   B HG23 1 c 1 
ATOM   1381 H HD11 . ILE   A 1 95  ? -14.495 -1.646  -4.742  1 25.95  ? 107 ILE   B HD11 1 c 1 
ATOM   1382 H HD12 . ILE   A 1 95  ? -15.915 -1.83   -4.045  1 25.82  ? 107 ILE   B HD12 1 c 1 
ATOM   1383 H HD13 . ILE   A 1 95  ? -15.633 -2.493  -5.466  1 25.571 ? 107 ILE   B HD13 1 c 1 
ATOM   1384 N N    . LYS   A 1 96  ? -11.692 -7.057  -4.136  1 25.158 ? 108 LYS   B N    1 ? 1 
ATOM   1385 C CA   . LYS   A 1 96  ? -10.758 -7.925  -4.848  1 25.255 ? 108 LYS   B CA   1 ? 1 
ATOM   1386 C C    . LYS   A 1 96  ? -11.204 -8.137  -6.284  1 22.852 ? 108 LYS   B C    1 ? 1 
ATOM   1387 O O    . LYS   A 1 96  ? -12.367 -7.897  -6.608  1 23.564 ? 108 LYS   B O    1 ? 1 
ATOM   1388 C CB   . LYS   A 1 96  ? -10.65  -9.281  -4.162  1 27.453 ? 108 LYS   B CB   1 ? 1 
ATOM   1389 C CG   . LYS   A 1 96  ? -9.844  -9.183  -2.892  1 29.019 ? 108 LYS   B CG   1 ? 1 
ATOM   1390 C CD   . LYS   A 1 96  ? -9.698  -10.55  -2.258  1 31.171 ? 108 LYS   B CD   1 ? 1 
ATOM   1391 C CE   . LYS   A 1 96  ? -9.079  -10.491 -0.888  1 37.015 ? 108 LYS   B CE   1 ? 1 
ATOM   1392 N NZ   . LYS   A 1 96  ? -9.224  -11.862 -0.387  1 39.526 ? 108 LYS   B NZ   1 ? 1 
ATOM   1393 H H    . LYS   A 1 96  ? -12.357 -7.43   -3.631  1 25.235 ? 108 LYS   B H    1 c 1 
ATOM   1394 H HA   . LYS   A 1 96  ? -9.866  -7.495  -4.848  1 25.623 ? 108 LYS   B HA   1 c 1 
ATOM   1395 H HB2  . LYS   A 1 96  ? -11.548 -9.611  -3.946  1 26.995 ? 108 LYS   B HB2  1 c 1 
ATOM   1396 H HB3  . LYS   A 1 96  ? -10.224 -9.926  -4.763  1 27.331 ? 108 LYS   B HB3  1 c 1 
ATOM   1397 H HG2  . LYS   A 1 96  ? -8.956  -8.82   -3.1    1 29.516 ? 108 LYS   B HG2  1 c 1 
ATOM   1398 H HG3  . LYS   A 1 96  ? -10.296 -8.576  -2.268  1 29.104 ? 108 LYS   B HG3  1 c 1 
ATOM   1399 H HD2  . LYS   A 1 96  ? -10.583 -10.97  -2.194  1 31.656 ? 108 LYS   B HD2  1 c 1 
ATOM   1400 H HD3  . LYS   A 1 96  ? -9.138  -11.111 -2.838  1 32.066 ? 108 LYS   B HD3  1 c 1 
ATOM   1401 H HE2  . LYS   A 1 96  ? -8.136  -10.25  -0.938  1 36.691 ? 108 LYS   B HE2  1 c 1 
ATOM   1402 H HE3  . LYS   A 1 96  ? -9.548  -9.866  -0.309  1 36.154 ? 108 LYS   B HE3  1 c 1 
ATOM   1403 H HZ1  . LYS   A 1 96  ? -8.869  -12.452 -0.977  1 38.876 ? 108 LYS   B HZ1  1 c 1 
ATOM   1404 H HZ2  . LYS   A 1 96  ? -10.1   -12.057 -0.259  1 38.57  ? 108 LYS   B HZ2  1 c 1 
ATOM   1405 H HZ3  . LYS   A 1 96  ? -8.788  -11.941 0.403   1 39.583 ? 108 LYS   B HZ3  1 c 1 
ATOM   1406 N N    . PRO   A 1 97  ? -10.3   -8.548  -7.209  1 23.281 ? 109 PRO   B N    1 ? 1 
ATOM   1407 C CA   . PRO   A 1 97  ? -10.629 -8.591  -8.638  1 23.478 ? 109 PRO   B CA   1 ? 1 
ATOM   1408 C C    . PRO   A 1 97  ? -11.886 -9.379  -8.963  1 23.565 ? 109 PRO   B C    1 ? 1 
ATOM   1409 O O    . PRO   A 1 97  ? -12.59  -9.043  -9.931  1 26.804 ? 109 PRO   B O    1 ? 1 
ATOM   1410 C CB   . PRO   A 1 97  ? -9.396  -9.166  -9.338  1 23.46  ? 109 PRO   B CB   1 ? 1 
ATOM   1411 C CG   . PRO   A 1 97  ? -8.425  -9.481  -8.233  1 22.727 ? 109 PRO   B CG   1 ? 1 
ATOM   1412 C CD   . PRO   A 1 97  ? -8.885  -8.838  -6.96   1 22.6   ? 109 PRO   B CD   1 ? 1 
ATOM   1413 H HA   . PRO   A 1 97  ? -10.753 -7.671  -8.952  1 23.537 ? 109 PRO   B HA   1 c 1 
ATOM   1414 H HB2  . PRO   A 1 97  ? -9.625  -9.974  -9.839  1 23.567 ? 109 PRO   B HB2  1 c 1 
ATOM   1415 H HB3  . PRO   A 1 97  ? -9.017  -8.513  -9.957  1 23.876 ? 109 PRO   B HB3  1 c 1 
ATOM   1416 H HG2  . PRO   A 1 97  ? -8.362  -10.449 -8.109  1 23.065 ? 109 PRO   B HG2  1 c 1 
ATOM   1417 H HG3  . PRO   A 1 97  ? -7.535  -9.149  -8.466  1 23.597 ? 109 PRO   B HG3  1 c 1 
ATOM   1418 H HD2  . PRO   A 1 97  ? -8.781  -9.444  -6.204  1 22.847 ? 109 PRO   B HD2  1 c 1 
ATOM   1419 H HD3  . PRO   A 1 97  ? -8.391  -8.014  -6.781  1 23.105 ? 109 PRO   B HD3  1 c 1 
ATOM   1420 N N    . GLU   A 1 98  ? -12.149 -10.391 -8.131  1 22.142 ? 110 GLU   B N    1 ? 1 
ATOM   1421 C CA   . GLU   A 1 98  ? -13.268 -11.299 -8.298  1 25.129 ? 110 GLU   B CA   1 ? 1 
ATOM   1422 C C    . GLU   A 1 98  ? -14.634 -10.626 -8.1    1 25.59  ? 110 GLU   B C    1 ? 1 
ATOM   1423 O O    . GLU   A 1 98  ? -15.652 -11.181 -8.53   1 25.488 ? 110 GLU   B O    1 ? 1 
ATOM   1424 C CB   . GLU   A 1 98  ? -13.263 -12.471 -7.307  1 28.467 ? 110 GLU   B CB   1 ? 1 
ATOM   1425 C CG   . GLU   A 1 98  ? -12.107 -13.459 -7.473  1 35.021 ? 110 GLU   B CG   1 ? 1 
ATOM   1426 C CD   . GLU   A 1 98  ? -10.766 -13.191 -6.776  1 42.79  ? 110 GLU   B CD   1 ? 1 
ATOM   1427 O OE1  . GLU   A 1 98  ? -10.506 -12.101 -6.176  1 46.309 ? 110 GLU   B OE1  1 ? 1 
ATOM   1428 O OE2  . GLU   A 1 98  ? -9.964  -14.169 -6.832  1 44.315 ? 110 GLU   B OE2  1 ? 1 
ATOM   1429 H H    . GLU   A 1 98  ? -11.587 -10.533 -7.425  1 23.091 ? 110 GLU   B H    1 c 1 
ATOM   1430 H HA   . GLU   A 1 98  ? -13.231 -11.666 -9.217  1 25.596 ? 110 GLU   B HA   1 c 1 
ATOM   1431 H HB2  . GLU   A 1 98  ? -13.234 -12.11  -6.396  1 28.652 ? 110 GLU   B HB2  1 c 1 
ATOM   1432 H HB3  . GLU   A 1 98  ? -14.103 -12.968 -7.402  1 29.169 ? 110 GLU   B HB3  1 c 1 
ATOM   1433 H HG2  . GLU   A 1 98  ? -12.421 -14.34  -7.175  1 35.408 ? 110 GLU   B HG2  1 c 1 
ATOM   1434 H HG3  . GLU   A 1 98  ? -11.925 -13.549 -8.433  1 35.308 ? 110 GLU   B HG3  1 c 1 
ATOM   1435 N N    . TYR   A 1 99  ? -14.692 -9.504  -7.373  1 24.552 ? 111 TYR   B N    1 ? 1 
ATOM   1436 C CA   . TYR   A 1 99  ? -15.952 -8.803  -7.199  1 24.182 ? 111 TYR   B CA   1 ? 1 
ATOM   1437 C C    . TYR   A 1 99  ? -15.906 -7.497  -8.005  1 24.702 ? 111 TYR   B C    1 ? 1 
ATOM   1438 O O    . TYR   A 1 99  ? -16.784 -6.624  -7.905  1 23.646 ? 111 TYR   B O    1 ? 1 
ATOM   1439 C CB   . TYR   A 1 99  ? -16.24  -8.669  -5.698  1 22.631 ? 111 TYR   B CB   1 ? 1 
ATOM   1440 C CG   . TYR   A 1 99  ? -16.458 -9.984  -4.953  1 21.268 ? 111 TYR   B CG   1 ? 1 
ATOM   1441 C CD1  . TYR   A 1 99  ? -15.392 -10.743 -4.475  1 20.403 ? 111 TYR   B CD1  1 ? 1 
ATOM   1442 C CD2  . TYR   A 1 99  ? -17.743 -10.408 -4.616  1 22.053 ? 111 TYR   B CD2  1 ? 1 
ATOM   1443 C CE1  . TYR   A 1 99  ? -15.597 -11.936 -3.785  1 20.883 ? 111 TYR   B CE1  1 ? 1 
ATOM   1444 C CE2  . TYR   A 1 99  ? -17.96  -11.564 -3.87   1 22.929 ? 111 TYR   B CE2  1 ? 1 
ATOM   1445 C CZ   . TYR   A 1 99  ? -16.881 -12.332 -3.472  1 22.179 ? 111 TYR   B CZ   1 ? 1 
ATOM   1446 O OH   . TYR   A 1 99  ? -17.122 -13.466 -2.789  1 25.472 ? 111 TYR   B OH   1 ? 1 
ATOM   1447 H H    . TYR   A 1 99  ? -13.941 -9.179  -6.966  1 24.384 ? 111 TYR   B H    1 c 1 
ATOM   1448 H HA   . TYR   A 1 99  ? -16.671 -9.366  -7.588  1 24.459 ? 111 TYR   B HA   1 c 1 
ATOM   1449 H HB2  . TYR   A 1 99  ? -15.488 -8.193  -5.281  1 22.313 ? 111 TYR   B HB2  1 c 1 
ATOM   1450 H HB3  . TYR   A 1 99  ? -17.04  -8.111  -5.588  1 22.671 ? 111 TYR   B HB3  1 c 1 
ATOM   1451 H HD1  . TYR   A 1 99  ? -14.51  -10.486 -4.693  1 20.397 ? 111 TYR   B HD1  1 c 1 
ATOM   1452 H HD2  . TYR   A 1 99  ? -18.484 -9.889  -4.883  1 22.261 ? 111 TYR   B HD2  1 c 1 
ATOM   1453 H HE1  . TYR   A 1 99  ? -14.862 -12.448 -3.494  1 21.235 ? 111 TYR   B HE1  1 c 1 
ATOM   1454 H HE2  . TYR   A 1 99  ? -18.838 -11.85  -3.685  1 23.307 ? 111 TYR   B HE2  1 c 1 
ATOM   1455 H HH   . TYR   A 1 99  ? -16.408 -13.844 -2.624  0 30     ? 111 TYR   B HH   1 c 1 
ATOM   1456 N N    . ALA   A 1 100 ? -14.913 -7.414  -8.884  1 24.166 ? 112 ALA   B N    1 ? 1 
ATOM   1457 C CA   . ALA   A 1 100 ? -14.763 -6.26   -9.732  1 24.012 ? 112 ALA   B CA   1 ? 1 
ATOM   1458 C C    . ALA   A 1 100 ? -14.605 -6.753  -11.172 1 23.085 ? 112 ALA   B C    1 ? 1 
ATOM   1459 O O    . ALA   A 1 100 ? -15.615 -7.183  -11.709 1 20.425 ? 112 ALA   B O    1 ? 1 
ATOM   1460 C CB   . ALA   A 1 100 ? -13.637 -5.417  -9.205  1 25.39  ? 112 ALA   B CB   1 ? 1 
ATOM   1461 H H    . ALA   A 1 100 ? -14.315 -8.099  -8.965  1 24.148 ? 112 ALA   B H    1 c 1 
ATOM   1462 H HA   . ALA   A 1 100 ? -15.603 -5.728  -9.687  1 24.258 ? 112 ALA   B HA   1 c 1 
ATOM   1463 H HB1  . ALA   A 1 100 ? -13.939 -4.921  -8.427  1 24.751 ? 112 ALA   B HB1  1 c 1 
ATOM   1464 H HB2  . ALA   A 1 100 ? -12.891 -5.987  -8.954  1 24.788 ? 112 ALA   B HB2  1 c 1 
ATOM   1465 H HB3  . ALA   A 1 100 ? -13.348 -4.791  -9.89   1 25.47  ? 112 ALA   B HB3  1 c 1 
ATOM   1466 N N    . TYR   A 1 101 ? -13.402 -6.696  -11.787 1 22.109 ? 113 TYR   B N    1 ? 1 
ATOM   1467 C CA   . TYR   A 1 101 ? -13.282 -6.932  -13.235 1 22.18  ? 113 TYR   B CA   1 ? 1 
ATOM   1468 C C    . TYR   A 1 101 ? -12.476 -8.191  -13.547 1 21.589 ? 113 TYR   B C    1 ? 1 
ATOM   1469 O O    . TYR   A 1 101 ? -12.291 -8.511  -14.712 1 22.65  ? 113 TYR   B O    1 ? 1 
ATOM   1470 C CB   . TYR   A 1 101 ? -12.656 -5.781  -14.02  1 22.764 ? 113 TYR   B CB   1 ? 1 
ATOM   1471 C CG   . TYR   A 1 101 ? -13.521 -4.531  -13.924 1 24.003 ? 113 TYR   B CG   1 ? 1 
ATOM   1472 C CD1  . TYR   A 1 101 ? -14.568 -4.341  -14.831 1 24.426 ? 113 TYR   B CD1  1 ? 1 
ATOM   1473 C CD2  . TYR   A 1 101 ? -13.332 -3.571  -12.918 1 23.443 ? 113 TYR   B CD2  1 ? 1 
ATOM   1474 C CE1  . TYR   A 1 101 ? -15.391 -3.236  -14.765 1 25.206 ? 113 TYR   B CE1  1 ? 1 
ATOM   1475 C CE2  . TYR   A 1 101 ? -14.164 -2.46   -12.831 1 23.806 ? 113 TYR   B CE2  1 ? 1 
ATOM   1476 C CZ   . TYR   A 1 101 ? -15.208 -2.313  -13.737 1 26.047 ? 113 TYR   B CZ   1 ? 1 
ATOM   1477 O OH   . TYR   A 1 101 ? -16     -1.2    -13.706 1 27.774 ? 113 TYR   B OH   1 ? 1 
ATOM   1478 H H    . TYR   A 1 101 ? -12.649 -6.504  -11.305 1 22.005 ? 113 TYR   B H    1 c 1 
ATOM   1479 H HA   . TYR   A 1 101 ? -14.198 -7.069  -13.593 1 22.446 ? 113 TYR   B HA   1 c 1 
ATOM   1480 H HB2  . TYR   A 1 101 ? -11.763 -5.591  -13.655 1 23.001 ? 113 TYR   B HB2  1 c 1 
ATOM   1481 H HB3  . TYR   A 1 101 ? -12.567 -6.043  -14.963 1 23.937 ? 113 TYR   B HB3  1 c 1 
ATOM   1482 H HD1  . TYR   A 1 101 ? -14.713 -4.981  -15.509 1 25.135 ? 113 TYR   B HD1  1 c 1 
ATOM   1483 H HD2  . TYR   A 1 101 ? -12.644 -3.689  -12.283 1 22.992 ? 113 TYR   B HD2  1 c 1 
ATOM   1484 H HE1  . TYR   A 1 101 ? -16.09  -3.124  -15.386 1 26.307 ? 113 TYR   B HE1  1 c 1 
ATOM   1485 H HE2  . TYR   A 1 101 ? -14.029 -1.817  -12.157 1 23.973 ? 113 TYR   B HE2  1 c 1 
ATOM   1486 H HH   . TYR   A 1 101 ? -16.589 -1.234  -14.361 0 30     ? 113 TYR   B HH   1 c 1 
ATOM   1487 N N    . GLY   A 1 102 ? -12.057 -8.923  -12.514 1 20.937 ? 114 GLY   B N    1 ? 1 
ATOM   1488 C CA   . GLY   A 1 102 ? -11.559 -10.281 -12.662 1 20.711 ? 114 GLY   B CA   1 ? 1 
ATOM   1489 C C    . GLY   A 1 102 ? -10.207 -10.308 -13.354 1 20.93  ? 114 GLY   B C    1 ? 1 
ATOM   1490 O O    . GLY   A 1 102 ? -9.529  -9.288  -13.487 1 22.099 ? 114 GLY   B O    1 ? 1 
ATOM   1491 H H    . GLY   A 1 102 ? -12.073 -8.559  -11.676 1 20.261 ? 114 GLY   B H    1 c 1 
ATOM   1492 H HA2  . GLY   A 1 102 ? -11.482 -10.695 -11.771 1 20.154 ? 114 GLY   B HA2  1 c 1 
ATOM   1493 H HA3  . GLY   A 1 102 ? -12.208 -10.806 -13.187 1 21.07  ? 114 GLY   B HA3  1 c 1 
ATOM   1494 N N    . SER   A 1 103 ? -9.81   -11.49  -13.778 1 21.106 ? 115 SER   B N    1 ? 1 
ATOM   1495 C CA   . SER   A 1 103 ? -8.539  -11.614 -14.468 1 24.081 ? 115 SER   B CA   1 ? 1 
ATOM   1496 C C    . SER   A 1 103 ? -8.585  -11.018 -15.892 1 23.79  ? 115 SER   B C    1 ? 1 
ATOM   1497 O O    . SER   A 1 103 ? -7.533  -10.799 -16.441 1 24.643 ? 115 SER   B O    1 ? 1 
ATOM   1498 C CB   . SER   A 1 103 ? -8.096  -13.058 -14.49  1 26.803 ? 115 SER   B CB   1 ? 1 
ATOM   1499 O OG   . SER   A 1 103 ? -9.036  -13.873 -15.204 1 32.583 ? 115 SER   B OG   1 ? 1 
ATOM   1500 H H    . SER   A 1 103 ? -10.327 -12.232 -13.643 1 21.526 ? 115 SER   B H    1 c 1 
ATOM   1501 H HA   . SER   A 1 103 ? -7.867  -11.102 -13.954 1 23.613 ? 115 SER   B HA   1 c 1 
ATOM   1502 H HB2  . SER   A 1 103 ? -7.221  -13.121 -14.917 1 28.203 ? 115 SER   B HB2  1 c 1 
ATOM   1503 H HB3  . SER   A 1 103 ? -8.014  -13.386 -13.575 1 26.735 ? 115 SER   B HB3  1 c 1 
ATOM   1504 H HG   . SER   A 1 103 ? -8.834  -14.69  -15.183 0 30     ? 115 SER   B HG   1 c 1 
ATOM   1505 N N    . ALA   A 1 104 ? -9.746  -10.755 -16.51  1 22.861 ? 116 ALA   B N    1 ? 1 
ATOM   1506 C CA   . ALA   A 1 104 ? -9.773  -10.176 -17.86  1 25.087 ? 116 ALA   B CA   1 ? 1 
ATOM   1507 C C    . ALA   A 1 104 ? -9.559  -8.675  -17.782 1 25.573 ? 116 ALA   B C    1 ? 1 
ATOM   1508 O O    . ALA   A 1 104 ? -9.112  -8.052  -18.747 1 25.525 ? 116 ALA   B O    1 ? 1 
ATOM   1509 C CB   . ALA   A 1 104 ? -11.052 -10.473 -18.636 1 25.006 ? 116 ALA   B CB   1 ? 1 
ATOM   1510 H H    . ALA   A 1 104 ? -10.537 -10.948 -16.095 1 22.623 ? 116 ALA   B H    1 c 1 
ATOM   1511 H HA   . ALA   A 1 104 ? -9.007  -10.561 -18.369 1 25.818 ? 116 ALA   B HA   1 c 1 
ATOM   1512 H HB1  . ALA   A 1 104 ? -11.073 -11.413 -18.886 1 25.649 ? 116 ALA   B HB1  1 c 1 
ATOM   1513 H HB2  . ALA   A 1 104 ? -11.825 -10.271 -18.083 1 24.391 ? 116 ALA   B HB2  1 c 1 
ATOM   1514 H HB3  . ALA   A 1 104 ? -11.081 -9.927  -19.439 1 26.361 ? 116 ALA   B HB3  1 c 1 
ATOM   1515 N N    . GLY   A 1 105 ? -9.819  -8.133  -16.579 1 25.169 ? 117 GLY   B N    1 ? 1 
ATOM   1516 C CA   . GLY   A 1 105 ? -9.763  -6.699  -16.363 1 24.405 ? 117 GLY   B CA   1 ? 1 
ATOM   1517 C C    . GLY   A 1 105 ? -10.789 -6.005  -17.251 1 25.298 ? 117 GLY   B C    1 ? 1 
ATOM   1518 O O    . GLY   A 1 105 ? -11.82  -6.594  -17.63  1 24.872 ? 117 GLY   B O    1 ? 1 
ATOM   1519 H H    . GLY   A 1 105 ? -10.049 -8.671  -15.878 1 23.734 ? 117 GLY   B H    1 c 1 
ATOM   1520 H HA2  . GLY   A 1 105 ? -9.952  -6.502  -15.419 1 23.599 ? 117 GLY   B HA2  1 c 1 
ATOM   1521 H HA3  . GLY   A 1 105 ? -8.858  -6.37   -16.574 1 25.358 ? 117 GLY   B HA3  1 c 1 
ATOM   1522 N N    . SER   A 1 106 ? -10.502 -4.724  -17.541 1 25.286 ? 118 SER   B N    1 ? 1 
ATOM   1523 C CA   . SER   A 1 106 ? -11.32  -3.961  -18.465 1 25.844 ? 118 SER   B CA   1 ? 1 
ATOM   1524 C C    . SER   A 1 106 ? -10.46  -2.836  -19.014 1 27.487 ? 118 SER   B C    1 ? 1 
ATOM   1525 O O    . SER   A 1 106 ? -10.568 -1.707  -18.593 1 25.999 ? 118 SER   B O    1 ? 1 
ATOM   1526 C CB   . SER   A 1 106 ? -12.556 -3.478  -17.789 1 24.811 ? 118 SER   B CB   1 ? 1 
ATOM   1527 O OG   . SER   A 1 106 ? -13.48  -2.873  -18.676 1 25.549 ? 118 SER   B OG   1 ? 1 
ATOM   1528 H H    . SER   A 1 106 ? -9.777  -4.324  -17.155 1 25.384 ? 118 SER   B H    1 c 1 
ATOM   1529 H HA   . SER   A 1 106 ? -11.58  -4.552  -19.217 1 26.748 ? 118 SER   B HA   1 c 1 
ATOM   1530 H HB2  . SER   A 1 106 ? -12.991 -4.231  -17.347 1 23.643 ? 118 SER   B HB2  1 c 1 
ATOM   1531 H HB3  . SER   A 1 106 ? -12.31  -2.834  -17.098 1 24.186 ? 118 SER   B HB3  1 c 1 
ATOM   1532 H HG   . SER   A 1 106 ? -14.151 -2.604  -18.244 0 30     ? 118 SER   B HG   1 c 1 
ATOM   1533 N N    . LEU   A 1 107 ? -9.554  -3.204  -19.926 1 30.168 ? 119 LEU   B N    1 ? 1 
ATOM   1534 C CA   . LEU   A 1 107 ? -8.611  -2.256  -20.478 1 33.051 ? 119 LEU   B CA   1 ? 1 
ATOM   1535 C C    . LEU   A 1 107 ? -9.349  -1.231  -21.327 1 34.774 ? 119 LEU   B C    1 ? 1 
ATOM   1536 O O    . LEU   A 1 107 ? -10.42  -1.482  -21.868 1 35.468 ? 119 LEU   B O    1 ? 1 
ATOM   1537 C CB   . LEU   A 1 107 ? -7.495  -2.98   -21.232 1 34.574 ? 119 LEU   B CB   1 ? 1 
ATOM   1538 C CG   . LEU   A 1 107 ? -6.624  -3.843  -20.314 1 34.397 ? 119 LEU   B CG   1 ? 1 
ATOM   1539 C CD1  . LEU   A 1 107 ? -5.642  -4.53   -21.245 1 37.52  ? 119 LEU   B CD1  1 ? 1 
ATOM   1540 C CD2  . LEU   A 1 107 ? -5.892  -3.109  -19.197 1 33.194 ? 119 LEU   B CD2  1 ? 1 
ATOM   1541 H H    . LEU   A 1 107 ? -9.526  -4.073  -20.21  1 29.981 ? 119 LEU   B H    1 c 1 
ATOM   1542 H HA   . LEU   A 1 107 ? -8.209  -1.777  -19.714 1 32.292 ? 119 LEU   B HA   1 c 1 
ATOM   1543 H HB2  . LEU   A 1 107 ? -7.906  -3.557  -21.916 1 35.341 ? 119 LEU   B HB2  1 c 1 
ATOM   1544 H HB3  . LEU   A 1 107 ? -6.925  -2.312  -21.677 1 36.51  ? 119 LEU   B HB3  1 c 1 
ATOM   1545 H HG   . LEU   A 1 107 ? -7.2    -4.539  -19.904 1 32.754 ? 119 LEU   B HG   1 c 1 
ATOM   1546 H HD11 . LEU   A 1 107 ? -6.114  -4.882  -22.018 1 37.813 ? 119 LEU   B HD11 1 c 1 
ATOM   1547 H HD12 . LEU   A 1 107 ? -5.205  -5.257  -20.774 1 36.385 ? 119 LEU   B HD12 1 c 1 
ATOM   1548 H HD13 . LEU   A 1 107 ? -4.973  -3.889  -21.541 1 38.643 ? 119 LEU   B HD13 1 c 1 
ATOM   1549 H HD21 . LEU   A 1 107 ? -6.532  -2.788  -18.543 1 32.183 ? 119 LEU   B HD21 1 c 1 
ATOM   1550 H HD22 . LEU   A 1 107 ? -5.407  -2.354  -19.57  1 34.944 ? 119 LEU   B HD22 1 c 1 
ATOM   1551 H HD23 . LEU   A 1 107 ? -5.265  -3.715  -18.768 1 32.901 ? 119 LEU   B HD23 1 c 1 
ATOM   1552 N N    . PRO   A 1 108 ? -8.765  -0.038  -21.5   1 36.4   ? 120 PRO   B N    1 ? 1 
ATOM   1553 C CA   . PRO   A 1 108 ? -7.531  0.317   -20.797 1 36.769 ? 120 PRO   B CA   1 ? 1 
ATOM   1554 C C    . PRO   A 1 108 ? -7.707  0.86    -19.386 1 35.458 ? 120 PRO   B C    1 ? 1 
ATOM   1555 O O    . PRO   A 1 108 ? -6.76   1.197   -18.694 1 36.046 ? 120 PRO   B O    1 ? 1 
ATOM   1556 C CB   . PRO   A 1 108 ? -6.902  1.397   -21.654 1 39.453 ? 120 PRO   B CB   1 ? 1 
ATOM   1557 C CG   . PRO   A 1 108 ? -8.13   1.975   -22.355 1 40.323 ? 120 PRO   B CG   1 ? 1 
ATOM   1558 C CD   . PRO   A 1 108 ? -9.103  0.871   -22.592 1 38.645 ? 120 PRO   B CD   1 ? 1 
ATOM   1559 H HA   . PRO   A 1 108 ? -6.929  -0.45   -20.774 1 36.349 ? 120 PRO   B HA   1 c 1 
ATOM   1560 H HB2  . PRO   A 1 108 ? -6.452  2.072   -21.109 1 39.767 ? 120 PRO   B HB2  1 c 1 
ATOM   1561 H HB3  . PRO   A 1 108 ? -6.272  1.017   -22.297 1 40.769 ? 120 PRO   B HB3  1 c 1 
ATOM   1562 H HG2  . PRO   A 1 108 ? -8.541  2.667   -21.799 1 39.838 ? 120 PRO   B HG2  1 c 1 
ATOM   1563 H HG3  . PRO   A 1 108 ? -7.873  2.381   -23.206 1 42.577 ? 120 PRO   B HG3  1 c 1 
ATOM   1564 H HD2  . PRO   A 1 108 ? -10.027 1.18    -22.521 1 38.527 ? 120 PRO   B HD2  1 c 1 
ATOM   1565 H HD3  . PRO   A 1 108 ? -8.964  0.445   -23.461 1 40.096 ? 120 PRO   B HD3  1 c 1 
ATOM   1566 N N    . LYS   A 1 109 ? -8.924  0.996   -18.929 1 35.33  ? 121 LYS   B N    1 ? 1 
ATOM   1567 C CA   . LYS   A 1 109 ? -9.108  1.717   -17.676 1 35.14  ? 121 LYS   B CA   1 ? 1 
ATOM   1568 C C    . LYS   A 1 109 ? -8.707  0.787   -16.536 1 33.81  ? 121 LYS   B C    1 ? 1 
ATOM   1569 O O    . LYS   A 1 109 ? -8.017  1.204   -15.611 1 33.504 ? 121 LYS   B O    1 ? 1 
ATOM   1570 C CB   . LYS   A 1 109 ? -10.524 2.309   -17.51  1 35.37  ? 121 LYS   B CB   1 ? 1 
ATOM   1571 H H    . LYS   A 1 109 ? -9.646  0.65    -19.369 1 35.093 ? 121 LYS   B H    1 c 1 
ATOM   1572 H HA   . LYS   A 1 109 ? -8.481  2.485   -17.673 1 36.464 ? 121 LYS   B HA   1 c 1 
ATOM   1573 H HB2  . LYS   A 1 109 ? -10.495 3.17    -17.275 0 30     ? 121 LYS   B HB2  1 c 1 
ATOM   1574 H HB3  . LYS   A 1 109 ? -11.183 1.515   -17.767 0 30     ? 121 LYS   B HB3  1 c 1 
ATOM   1575 N N    . ILE   A 1 110 ? -9.098  -0.491  -16.647 1 32.834 ? 122 ILE   B N    1 ? 1 
ATOM   1576 C CA   . ILE   A 1 110 ? -8.851  -1.449  -15.594 1 30.685 ? 122 ILE   B CA   1 ? 1 
ATOM   1577 C C    . ILE   A 1 110 ? -7.97   -2.576  -16.089 1 30.894 ? 122 ILE   B C    1 ? 1 
ATOM   1578 O O    . ILE   A 1 110 ? -8.337  -3.265  -17.03  1 33.11  ? 122 ILE   B O    1 ? 1 
ATOM   1579 C CB   . ILE   A 1 110 ? -10.139 -2.053  -15.018 1 30.066 ? 122 ILE   B CB   1 ? 1 
ATOM   1580 C CG1  . ILE   A 1 110 ? -11.221 -1.057  -14.921 1 30.035 ? 122 ILE   B CG1  1 ? 1 
ATOM   1581 C CG2  . ILE   A 1 110 ? -9.838  -2.636  -13.629 1 29.23  ? 122 ILE   B CG2  1 ? 1 
ATOM   1582 C CD1  . ILE   A 1 110 ? -10.897 -0.013  -13.852 1 30.978 ? 122 ILE   B CD1  1 ? 1 
ATOM   1583 H H    . ILE   A 1 110 ? -9.539  -0.766  -17.398 1 33.109 ? 122 ILE   B H    1 c 1 
ATOM   1584 H HA   . ILE   A 1 110 ? -8.389  -0.99   -14.873 1 30.811 ? 122 ILE   B HA   1 c 1 
ATOM   1585 H HB   . ILE   A 1 110 ? -10.437 -2.776  -15.604 1 29.835 ? 122 ILE   B HB   1 c 1 
ATOM   1586 H HG12 . ILE   A 1 110 ? -11.34  -0.614  -15.785 1 31.589 ? 122 ILE   B HG12 1 c 1 
ATOM   1587 H HG13 . ILE   A 1 110 ? -12.057 -1.509  -14.688 1 29.472 ? 122 ILE   B HG13 1 c 1 
ATOM   1588 H HG21 . ILE   A 1 110 ? -10.665 -2.741  -13.132 1 28.067 ? 122 ILE   B HG21 1 c 1 
ATOM   1589 H HG22 . ILE   A 1 110 ? -9.244  -2.04   -13.142 1 29.24  ? 122 ILE   B HG22 1 c 1 
ATOM   1590 H HG23 . ILE   A 1 110 ? -9.411  -3.504  -13.727 1 28.753 ? 122 ILE   B HG23 1 c 1 
ATOM   1591 H HD11 . ILE   A 1 110 ? -11.062 -0.386  -12.965 1 29.446 ? 122 ILE   B HD11 1 c 1 
ATOM   1592 H HD12 . ILE   A 1 110 ? -11.472 0.763   -13.986 1 31.215 ? 122 ILE   B HD12 1 c 1 
ATOM   1593 H HD13 . ILE   A 1 110 ? -9.964  0.264   -13.917 1 31.373 ? 122 ILE   B HD13 1 c 1 
ATOM   1594 N N    . PRO   A 1 111 ? -6.849  -2.835  -15.382 1 29.846 ? 123 PRO   B N    1 ? 1 
ATOM   1595 C CA   . PRO   A 1 111 ? -5.989  -3.956  -15.678 1 28.737 ? 123 PRO   B CA   1 ? 1 
ATOM   1596 C C    . PRO   A 1 111 ? -6.415  -5.257  -15.024 1 26.786 ? 123 PRO   B C    1 ? 1 
ATOM   1597 O O    . PRO   A 1 111 ? -7.173  -5.336  -14.055 1 25.675 ? 123 PRO   B O    1 ? 1 
ATOM   1598 C CB   . PRO   A 1 111 ? -4.642  -3.517  -15.152 1 30     ? 123 PRO   B CB   1 ? 1 
ATOM   1599 C CG   . PRO   A 1 111 ? -4.904  -2.444  -14.131 1 30.091 ? 123 PRO   B CG   1 ? 1 
ATOM   1600 C CD   . PRO   A 1 111 ? -6.327  -2.004  -14.282 1 30.136 ? 123 PRO   B CD   1 ? 1 
ATOM   1601 H HA   . PRO   A 1 111 ? -5.936  -4.079  -16.646 1 30.067 ? 123 PRO   B HA   1 c 1 
ATOM   1602 H HB2  . PRO   A 1 111 ? -4.169  -4.268  -14.744 1 29.662 ? 123 PRO   B HB2  1 c 1 
ATOM   1603 H HB3  . PRO   A 1 111 ? -4.088  -3.17   -15.878 1 31.652 ? 123 PRO   B HB3  1 c 1 
ATOM   1604 H HG2  . PRO   A 1 111 ? -4.754  -2.79   -13.229 1 29.257 ? 123 PRO   B HG2  1 c 1 
ATOM   1605 H HG3  . PRO   A 1 111 ? -4.302  -1.686  -14.273 1 31.521 ? 123 PRO   B HG3  1 c 1 
ATOM   1606 H HD2  . PRO   A 1 111 ? -6.834  -2.159  -13.461 1 28.546 ? 123 PRO   B HD2  1 c 1 
ATOM   1607 H HD3  . PRO   A 1 111 ? -6.372  -1.056  -14.512 1 30.811 ? 123 PRO   B HD3  1 c 1 
ATOM   1608 N N    . SER   A 1 112 ? -5.892  -6.312  -15.604 1 26.254 ? 124 SER   B N    1 ? 1 
ATOM   1609 C CA   . SER   A 1 112 ? -6.143  -7.625  -15.104 1 24.649 ? 124 SER   B CA   1 ? 1 
ATOM   1610 C C    . SER   A 1 112 ? -5.87   -7.637  -13.593 1 23.252 ? 124 SER   B C    1 ? 1 
ATOM   1611 O O    . SER   A 1 112 ? -4.852  -7.203  -13.119 1 21.472 ? 124 SER   B O    1 ? 1 
ATOM   1612 C CB   . SER   A 1 112 ? -5.283  -8.588  -15.88  1 25.37  ? 124 SER   B CB   1 ? 1 
ATOM   1613 O OG   . SER   A 1 112 ? -5.29   -9.888  -15.306 1 25.057 ? 124 SER   B OG   1 ? 1 
ATOM   1614 H H    . SER   A 1 112 ? -5.358  -6.21   -16.339 1 27.687 ? 124 SER   B H    1 c 1 
ATOM   1615 H HA   . SER   A 1 112 ? -7.096  -7.846  -15.261 1 24.029 ? 124 SER   B HA   1 c 1 
ATOM   1616 H HB2  . SER   A 1 112 ? -5.61   -8.639  -16.796 1 26.344 ? 124 SER   B HB2  1 c 1 
ATOM   1617 H HB3  . SER   A 1 112 ? -4.366  -8.253  -15.904 1 26.531 ? 124 SER   B HB3  1 c 1 
ATOM   1618 H HG   . SER   A 1 112 ? -4.829  -10.429 -15.762 0 30     ? 124 SER   B HG   1 c 1 
ATOM   1619 N N    . ASN   A 1 113 ? -6.796  -8.2    -12.841 1 23.798 ? 125 ASN   B N    1 ? 1 
ATOM   1620 C CA   . ASN   A 1 113 ? -6.502  -8.608  -11.475 1 25.606 ? 125 ASN   B CA   1 ? 1 
ATOM   1621 C C    . ASN   A 1 113 ? -6.34   -7.416  -10.527 1 24.064 ? 125 ASN   B C    1 ? 1 
ATOM   1622 O O    . ASN   A 1 113 ? -5.585  -7.498  -9.577  1 21.966 ? 125 ASN   B O    1 ? 1 
ATOM   1623 C CB   . ASN   A 1 113 ? -5.261  -9.498  -11.455 1 26.297 ? 125 ASN   B CB   1 ? 1 
ATOM   1624 C CG   . ASN   A 1 113 ? -5.562  -10.935 -11.803 1 25.907 ? 125 ASN   B CG   1 ? 1 
ATOM   1625 O OD1  . ASN   A 1 113 ? -4.635  -11.693 -12.088 1 26.8   ? 125 ASN   B OD1  1 ? 1 
ATOM   1626 N ND2  . ASN   A 1 113 ? -6.819  -11.347 -11.779 1 25.16  ? 125 ASN   B ND2  1 ? 1 
ATOM   1627 H H    . ASN   A 1 113 ? -7.636  -8.337  -13.174 1 23.47  ? 125 ASN   B H    1 c 1 
ATOM   1628 H HA   . ASN   A 1 113 ? -7.255  -9.14   -11.151 1 24.038 ? 125 ASN   B HA   1 c 1 
ATOM   1629 H HB2  . ASN   A 1 113 ? -4.599  -9.154  -12.084 1 27.169 ? 125 ASN   B HB2  1 c 1 
ATOM   1630 H HB3  . ASN   A 1 113 ? -4.862  -9.472  -10.562 1 26.088 ? 125 ASN   B HB3  1 c 1 
ATOM   1631 H HD21 . ASN   A 1 113 ? -7      -12.18  -12.017 1 25.26  ? 125 ASN   B HD21 1 c 1 
ATOM   1632 H HD22 . ASN   A 1 113 ? -7.479  -10.823 -11.519 1 24.492 ? 125 ASN   B HD22 1 c 1 
ATOM   1633 N N    . ALA   A 1 114 ? -7.102  -6.353  -10.787 1 24.62  ? 126 ALA   B N    1 ? 1 
ATOM   1634 C CA   . ALA   A 1 114 ? -6.926  -5.076  -10.134 1 26.257 ? 126 ALA   B CA   1 ? 1 
ATOM   1635 C C    . ALA   A 1 114 ? -7.763  -5.08   -8.861  1 26.918 ? 126 ALA   B C    1 ? 1 
ATOM   1636 O O    . ALA   A 1 114 ? -8.928  -5.505  -8.863  1 29.384 ? 126 ALA   B O    1 ? 1 
ATOM   1637 C CB   . ALA   A 1 114 ? -7.379  -3.973  -11.064 1 27.61  ? 126 ALA   B CB   1 ? 1 
ATOM   1638 H H    . ALA   A 1 114 ? -7.775  -6.436  -11.399 1 24.638 ? 126 ALA   B H    1 c 1 
ATOM   1639 H HA   . ALA   A 1 114 ? -5.965  -4.955  -9.899  1 27.114 ? 126 ALA   B HA   1 c 1 
ATOM   1640 H HB1  . ALA   A 1 114 ? -6.788  -3.931  -11.834 1 28.377 ? 126 ALA   B HB1  1 c 1 
ATOM   1641 H HB2  . ALA   A 1 114 ? -8.287  -4.15   -11.365 1 26.876 ? 126 ALA   B HB2  1 c 1 
ATOM   1642 H HB3  . ALA   A 1 114 ? -7.357  -3.122  -10.596 1 27.638 ? 126 ALA   B HB3  1 c 1 
ATOM   1643 N N    . THR   A 1 115 ? -7.167  -4.597  -7.775  1 26.588 ? 127 THR   B N    1 ? 1 
ATOM   1644 C CA   . THR   A 1 115 ? -7.947  -4.165  -6.629  1 24.053 ? 127 THR   B CA   1 ? 1 
ATOM   1645 C C    . THR   A 1 115 ? -8.383  -2.706  -6.819  1 24.14  ? 127 THR   B C    1 ? 1 
ATOM   1646 O O    . THR   A 1 115 ? -7.594  -1.883  -7.299  1 25.633 ? 127 THR   B O    1 ? 1 
ATOM   1647 C CB   . THR   A 1 115 ? -7.142  -4.405  -5.359  1 23.02  ? 127 THR   B CB   1 ? 1 
ATOM   1648 O OG1  . THR   A 1 115 ? -7.109  -5.824  -5.384  1 20.764 ? 127 THR   B OG1  1 ? 1 
ATOM   1649 C CG2  . THR   A 1 115 ? -7.812  -3.928  -4.077  1 23.304 ? 127 THR   B CG2  1 ? 1 
ATOM   1650 H H    . THR   A 1 115 ? -6.256  -4.534  -7.743  1 26.993 ? 127 THR   B H    1 c 1 
ATOM   1651 H HA   . THR   A 1 115 ? -8.753  -4.723  -6.585  1 23.326 ? 127 THR   B HA   1 c 1 
ATOM   1652 H HB   . THR   A 1 115 ? -6.228  -4.041  -5.441  1 23.955 ? 127 THR   B HB   1 c 1 
ATOM   1653 H HG1  . THR   A 1 115 ? -7.908  -6.143  -5.341  0 30     ? 127 THR   B HG1  1 c 1 
ATOM   1654 H HG21 . THR   A 1 115 ? -7.231  -4.115  -3.32   1 23.626 ? 127 THR   B HG21 1 c 1 
ATOM   1655 H HG22 . THR   A 1 115 ? -8.654  -4.394  -3.957  1 22.423 ? 127 THR   B HG22 1 c 1 
ATOM   1656 H HG23 . THR   A 1 115 ? -7.974  -2.972  -4.128  1 23.502 ? 127 THR   B HG23 1 c 1 
ATOM   1657 N N    . LEU   A 1 116 ? -9.632  -2.427  -6.394  1 22.784 ? 128 LEU   B N    1 ? 1 
ATOM   1658 C CA   . LEU   A 1 116 ? -10.295 -1.132  -6.467  1 25.804 ? 128 LEU   B CA   1 ? 1 
ATOM   1659 C C    . LEU   A 1 116 ? -10.651 -0.61   -5.073  1 27.109 ? 128 LEU   B C    1 ? 1 
ATOM   1660 O O    . LEU   A 1 116 ? -11.074 -1.382  -4.202  1 26.869 ? 128 LEU   B O    1 ? 1 
ATOM   1661 C CB   . LEU   A 1 116 ? -11.558 -1.219  -7.331  1 24.343 ? 128 LEU   B CB   1 ? 1 
ATOM   1662 C CG   . LEU   A 1 116 ? -11.376 -1.828  -8.737  1 25.332 ? 128 LEU   B CG   1 ? 1 
ATOM   1663 C CD1  . LEU   A 1 116 ? -12.6   -1.427  -9.512  1 27.79  ? 128 LEU   B CD1  1 ? 1 
ATOM   1664 C CD2  . LEU   A 1 116 ? -10.164 -1.436  -9.603  1 24.921 ? 128 LEU   B CD2  1 ? 1 
ATOM   1665 H H    . LEU   A 1 116 ? -10.107 -3.115  -6.023  1 22.813 ? 128 LEU   B H    1 c 1 
ATOM   1666 H HA   . LEU   A 1 116 ? -9.667  -0.491  -6.887  1 26.224 ? 128 LEU   B HA   1 c 1 
ATOM   1667 H HB2  . LEU   A 1 116 ? -12.226 -1.755  -6.845  1 24.074 ? 128 LEU   B HB2  1 c 1 
ATOM   1668 H HB3  . LEU   A 1 116 ? -11.923 -0.309  -7.43   1 25.318 ? 128 LEU   B HB3  1 c 1 
ATOM   1669 H HG   . LEU   A 1 116 ? -11.381 -2.816  -8.647  1 24.653 ? 128 LEU   B HG   1 c 1 
ATOM   1670 H HD11 . LEU   A 1 116 ? -13.397 -1.673  -9.013  1 26.496 ? 128 LEU   B HD11 1 c 1 
ATOM   1671 H HD12 . LEU   A 1 116 ? -12.603 -1.882  -10.37  1 27.218 ? 128 LEU   B HD12 1 c 1 
ATOM   1672 H HD13 . LEU   A 1 116 ? -12.594 -0.466  -9.657  1 27.81  ? 128 LEU   B HD13 1 c 1 
ATOM   1673 H HD21 . LEU   A 1 116 ? -9.344  -1.706  -9.159  1 25.424 ? 128 LEU   B HD21 1 c 1 
ATOM   1674 H HD22 . LEU   A 1 116 ? -10.159 -0.473  -9.733  1 26.166 ? 128 LEU   B HD22 1 c 1 
ATOM   1675 H HD23 . LEU   A 1 116 ? -10.224 -1.878  -10.466 1 25.546 ? 128 LEU   B HD23 1 c 1 
ATOM   1676 N N    . PHE   A 1 117 ? -10.466 0.72    -4.896  1 28.729 ? 129 PHE   B N    1 ? 1 
ATOM   1677 C CA   . PHE   A 1 117 ? -10.981 1.444   -3.751  1 27.023 ? 129 PHE   B CA   1 ? 1 
ATOM   1678 C C    . PHE   A 1 117 ? -12.066 2.414   -4.191  1 26.846 ? 129 PHE   B C    1 ? 1 
ATOM   1679 O O    . PHE   A 1 117 ? -11.962 3.049   -5.215  1 28.978 ? 129 PHE   B O    1 ? 1 
ATOM   1680 C CB   . PHE   A 1 117 ? -9.819  2.141   -3.085  1 28.422 ? 129 PHE   B CB   1 ? 1 
ATOM   1681 C CG   . PHE   A 1 117 ? -10.318 2.994   -1.946  1 29.908 ? 129 PHE   B CG   1 ? 1 
ATOM   1682 C CD1  . PHE   A 1 117 ? -10.537 2.444   -0.694  1 30.384 ? 129 PHE   B CD1  1 ? 1 
ATOM   1683 C CD2  . PHE   A 1 117 ? -10.582 4.34    -2.132  1 33.283 ? 129 PHE   B CD2  1 ? 1 
ATOM   1684 C CE1  . PHE   A 1 117 ? -10.991 3.211   0.375   1 33.081 ? 129 PHE   B CE1  1 ? 1 
ATOM   1685 C CE2  . PHE   A 1 117 ? -11.085 5.098   -1.071  1 35.672 ? 129 PHE   B CE2  1 ? 1 
ATOM   1686 C CZ   . PHE   A 1 117 ? -11.291 4.528   0.191   1 33.984 ? 129 PHE   B CZ   1 ? 1 
ATOM   1687 H H    . PHE   A 1 117 ? -9.994  1.186   -5.525  1 28.834 ? 129 PHE   B H    1 c 1 
ATOM   1688 H HA   . PHE   A 1 117 ? -11.371 0.795   -3.111  1 26.673 ? 129 PHE   B HA   1 c 1 
ATOM   1689 H HB2  . PHE   A 1 117 ? -9.191  1.467   -2.741  1 28.445 ? 129 PHE   B HB2  1 c 1 
ATOM   1690 H HB3  . PHE   A 1 117 ? -9.359  2.707   -3.744  1 29.414 ? 129 PHE   B HB3  1 c 1 
ATOM   1691 H HD1  . PHE   A 1 117 ? -10.345 1.53    -0.556  1 29.965 ? 129 PHE   B HD1  1 c 1 
ATOM   1692 H HD2  . PHE   A 1 117 ? -10.467 4.731   -2.983  1 33.504 ? 129 PHE   B HD2  1 c 1 
ATOM   1693 H HE1  . PHE   A 1 117 ? -11.136 2.807   1.216   1 32.533 ? 129 PHE   B HE1  1 c 1 
ATOM   1694 H HE2  . PHE   A 1 117 ? -11.263 6.016   -1.202  1 35.905 ? 129 PHE   B HE2  1 c 1 
ATOM   1695 H HZ   . PHE   A 1 117 ? -11.601 5.055   0.91    1 34.907 ? 129 PHE   B HZ   1 c 1 
ATOM   1696 N N    . PHE   A 1 118 ? -13.14  2.508   -3.425  1 29.417 ? 130 PHE   B N    1 ? 1 
ATOM   1697 C CA   . PHE   A 1 118 ? -14.179 3.504   -3.662  1 30.924 ? 130 PHE   B CA   1 ? 1 
ATOM   1698 C C    . PHE   A 1 118 ? -14.606 4.178   -2.365  1 30.447 ? 130 PHE   B C    1 ? 1 
ATOM   1699 O O    . PHE   A 1 118 ? -14.764 3.514   -1.34   1 30.287 ? 130 PHE   B O    1 ? 1 
ATOM   1700 C CB   . PHE   A 1 118 ? -15.427 2.839   -4.25   1 30.409 ? 130 PHE   B CB   1 ? 1 
ATOM   1701 C CG   . PHE   A 1 118 ? -15.342 2.377   -5.701  1 31.436 ? 130 PHE   B CG   1 ? 1 
ATOM   1702 C CD1  . PHE   A 1 118 ? -15.677 3.234   -6.747  1 34     ? 130 PHE   B CD1  1 ? 1 
ATOM   1703 C CD2  . PHE   A 1 118 ? -14.97  1.072   -6.018  1 30.192 ? 130 PHE   B CD2  1 ? 1 
ATOM   1704 C CE1  . PHE   A 1 118 ? -15.648 2.794   -8.076  1 35.501 ? 130 PHE   B CE1  1 ? 1 
ATOM   1705 C CE2  . PHE   A 1 118 ? -14.939 0.644   -7.349  1 30.301 ? 130 PHE   B CE2  1 ? 1 
ATOM   1706 C CZ   . PHE   A 1 118 ? -15.302 1.496   -8.37   1 31.724 ? 130 PHE   B CZ   1 ? 1 
ATOM   1707 H H    . PHE   A 1 118 ? -13.24  1.932   -2.722  1 28.359 ? 130 PHE   B H    1 c 1 
ATOM   1708 H HA   . PHE   A 1 118 ? -13.843 4.188   -4.295  1 31.339 ? 130 PHE   B HA   1 c 1 
ATOM   1709 H HB2  . PHE   A 1 118 ? -15.649 2.061   -3.691  1 29.91  ? 130 PHE   B HB2  1 c 1 
ATOM   1710 H HB3  . PHE   A 1 118 ? -16.176 3.471   -4.171  1 31.175 ? 130 PHE   B HB3  1 c 1 
ATOM   1711 H HD1  . PHE   A 1 118 ? -15.949 4.117   -6.553  1 34.742 ? 130 PHE   B HD1  1 c 1 
ATOM   1712 H HD2  . PHE   A 1 118 ? -14.751 0.47    -5.326  1 29.684 ? 130 PHE   B HD2  1 c 1 
ATOM   1713 H HE1  . PHE   A 1 118 ? -15.881 3.388   -8.772  1 35.371 ? 130 PHE   B HE1  1 c 1 
ATOM   1714 H HE2  . PHE   A 1 118 ? -14.688 -0.244  -7.548  1 29.828 ? 130 PHE   B HE2  1 c 1 
ATOM   1715 H HZ   . PHE   A 1 118 ? -15.251 1.209   -9.264  1 32.232 ? 130 PHE   B HZ   1 c 1 
ATOM   1716 N N    . GLU   A 1 119 ? -14.851 5.483   -2.436  1 30.42  ? 131 GLU   B N    1 ? 1 
ATOM   1717 C CA   . GLU   A 1 119 ? -15.685 6.131   -1.435  1 30.924 ? 131 GLU   B CA   1 ? 1 
ATOM   1718 C C    . GLU   A 1 119 ? -17.081 6.382   -2.017  1 33.906 ? 131 GLU   B C    1 ? 1 
ATOM   1719 O O    . GLU   A 1 119 ? -17.235 7.008   -3.083  1 34.35  ? 131 GLU   B O    1 ? 1 
ATOM   1720 C CB   . GLU   A 1 119 ? -15.022 7.413   -0.963  1 31.792 ? 131 GLU   B CB   1 ? 1 
ATOM   1721 C CG   . GLU   A 1 119 ? -15.863 8.208   0.033   1 32.788 ? 131 GLU   B CG   1 ? 1 
ATOM   1722 C CD   . GLU   A 1 119 ? -15.116 9.377   0.658   1 33.466 ? 131 GLU   B CD   1 ? 1 
ATOM   1723 O OE1  . GLU   A 1 119 ? -14.306 9.245   1.586   1 32.128 ? 131 GLU   B OE1  1 ? 1 
ATOM   1724 O OE2  . GLU   A 1 119 ? -15.331 10.457  0.111   1 35.775 ? 131 GLU   B OE2  1 ? 1 
ATOM   1725 H H    . GLU   A 1 119 ? -14.494 5.982   -3.113  1 31.343 ? 131 GLU   B H    1 c 1 
ATOM   1726 H HA   . GLU   A 1 119 ? -15.771 5.525   -0.657  1 30.816 ? 131 GLU   B HA   1 c 1 
ATOM   1727 H HB2  . GLU   A 1 119 ? -14.164 7.189   -0.546  1 32.011 ? 131 GLU   B HB2  1 c 1 
ATOM   1728 H HB3  . GLU   A 1 119 ? -14.837 7.977   -1.742  1 32.616 ? 131 GLU   B HB3  1 c 1 
ATOM   1729 H HG2  . GLU   A 1 119 ? -16.66  8.554   -0.422  1 32.763 ? 131 GLU   B HG2  1 c 1 
ATOM   1730 H HG3  . GLU   A 1 119 ? -16.163 7.61    0.75    1 31.9   ? 131 GLU   B HG3  1 c 1 
ATOM   1731 N N    . ILE   A 1 120 ? -18.107 5.914   -1.283  1 34.865 ? 132 ILE   B N    1 ? 1 
ATOM   1732 C CA   . ILE   A 1 120 ? -19.48  6.03    -1.737  1 35.551 ? 132 ILE   B CA   1 ? 1 
ATOM   1733 C C    . ILE   A 1 120 ? -20.384 6.731   -0.722  1 35.866 ? 132 ILE   B C    1 ? 1 
ATOM   1734 O O    . ILE   A 1 120 ? -20.508 6.255   0.41    1 35.062 ? 132 ILE   B O    1 ? 1 
ATOM   1735 C CB   . ILE   A 1 120 ? -20.02  4.629   -2.06   1 32.903 ? 132 ILE   B CB   1 ? 1 
ATOM   1736 C CG1  . ILE   A 1 120 ? -19.152 3.953   -3.12   1 31.215 ? 132 ILE   B CG1  1 ? 1 
ATOM   1737 C CG2  . ILE   A 1 120 ? -21.487 4.729   -2.49   1 34.216 ? 132 ILE   B CG2  1 ? 1 
ATOM   1738 C CD1  . ILE   A 1 120 ? -19.486 2.494   -3.408  1 30.407 ? 132 ILE   B CD1  1 ? 1 
ATOM   1739 H H    . ILE   A 1 120 ? -17.942 5.515   -0.477  1 34.293 ? 132 ILE   B H    1 c 1 
ATOM   1740 H HA   . ILE   A 1 120 ? -19.486 6.551   -2.563  1 35.528 ? 132 ILE   B HA   1 c 1 
ATOM   1741 H HB   . ILE   A 1 120 ? -19.975 4.092   -1.244  1 32.73  ? 132 ILE   B HB   1 c 1 
ATOM   1742 H HG12 . ILE   A 1 120 ? -19.232 4.46    -3.954  1 31.988 ? 132 ILE   B HG12 1 c 1 
ATOM   1743 H HG13 . ILE   A 1 120 ? -18.217 4.002   -2.835  1 31.291 ? 132 ILE   B HG13 1 c 1 
ATOM   1744 H HG21 . ILE   A 1 120 ? -21.778 3.879   -2.86   1 33.386 ? 132 ILE   B HG21 1 c 1 
ATOM   1745 H HG22 . ILE   A 1 120 ? -21.582 5.422   -3.164  1 34.755 ? 132 ILE   B HG22 1 c 1 
ATOM   1746 H HG23 . ILE   A 1 120 ? -22.04  4.948   -1.722  1 34.603 ? 132 ILE   B HG23 1 c 1 
ATOM   1747 H HD11 . ILE   A 1 120 ? -19.599 2.013   -2.567  1 30.008 ? 132 ILE   B HD11 1 c 1 
ATOM   1748 H HD12 . ILE   A 1 120 ? -18.759 2.088   -3.917  1 29.732 ? 132 ILE   B HD12 1 c 1 
ATOM   1749 H HD13 . ILE   A 1 120 ? -20.311 2.441   -3.926  1 30.607 ? 132 ILE   B HD13 1 c 1 
ATOM   1750 N N    . GLU   A 1 121 ? -21.11  7.759   -1.215  1 35.526 ? 133 GLU   B N    1 ? 1 
ATOM   1751 C CA   . GLU   A 1 121 ? -22.266 8.342   -0.538  1 34.062 ? 133 GLU   B CA   1 ? 1 
ATOM   1752 C C    . GLU   A 1 121 ? -23.59  7.87    -1.153  1 34.582 ? 133 GLU   B C    1 ? 1 
ATOM   1753 O O    . GLU   A 1 121 ? -23.882 8.035   -2.336  1 33.215 ? 133 GLU   B O    1 ? 1 
ATOM   1754 C CB   . GLU   A 1 121 ? -22.203 9.866   -0.592  1 33.796 ? 133 GLU   B CB   1 ? 1 
ATOM   1755 C CG   . GLU   A 1 121 ? -23.216 10.525  0.345   1 34.943 ? 133 GLU   B CG   1 ? 1 
ATOM   1756 C CD   . GLU   A 1 121 ? -23.218 12.047  0.333   1 36.221 ? 133 GLU   B CD   1 ? 1 
ATOM   1757 O OE1  . GLU   A 1 121 ? -22.24  12.666  -0.119  1 35.467 ? 133 GLU   B OE1  1 ? 1 
ATOM   1758 O OE2  . GLU   A 1 121 ? -24.254 12.618  0.708   1 37.18  ? 133 GLU   B OE2  1 ? 1 
ATOM   1759 H H    . GLU   A 1 121 ? -20.863 8.116   -2.02   1 35.522 ? 133 GLU   B H    1 c 1 
ATOM   1760 H HA   . GLU   A 1 121 ? -22.24  8.067   0.411   1 34.141 ? 133 GLU   B HA   1 c 1 
ATOM   1761 H HB2  . GLU   A 1 121 ? -21.298 10.156  -0.352  1 34.193 ? 133 GLU   B HB2  1 c 1 
ATOM   1762 H HB3  . GLU   A 1 121 ? -22.377 10.159  -1.511  1 34.527 ? 133 GLU   B HB3  1 c 1 
ATOM   1763 H HG2  . GLU   A 1 121 ? -24.115 10.217  0.106   1 34.931 ? 133 GLU   B HG2  1 c 1 
ATOM   1764 H HG3  . GLU   A 1 121 ? -23.042 10.225  1.261   1 34.6   ? 133 GLU   B HG3  1 c 1 
ATOM   1765 N N    . LEU   A 1 122 ? -24.466 7.356   -0.296  1 37.031 ? 134 LEU   B N    1 ? 1 
ATOM   1766 C CA   . LEU   A 1 122 ? -25.813 7.033   -0.725  1 36.5   ? 134 LEU   B CA   1 ? 1 
ATOM   1767 C C    . LEU   A 1 122 ? -26.739 8.207   -0.47   1 39.028 ? 134 LEU   B C    1 ? 1 
ATOM   1768 O O    . LEU   A 1 122 ? -27.12  8.441   0.659   1 40.276 ? 134 LEU   B O    1 ? 1 
ATOM   1769 C CB   . LEU   A 1 122 ? -26.317 5.818   0.042   1 35.595 ? 134 LEU   B CB   1 ? 1 
ATOM   1770 C CG   . LEU   A 1 122 ? -27.705 5.316   -0.36   1 36.008 ? 134 LEU   B CG   1 ? 1 
ATOM   1771 C CD1  . LEU   A 1 122 ? -27.784 5.07    -1.885  1 35.771 ? 134 LEU   B CD1  1 ? 1 
ATOM   1772 C CD2  . LEU   A 1 122 ? -28.013 4.047   0.43    1 34.381 ? 134 LEU   B CD2  1 ? 1 
ATOM   1773 H H    . LEU   A 1 122 ? -24.224 7.2     0.571   1 36.047 ? 134 LEU   B H    1 c 1 
ATOM   1774 H HA   . LEU   A 1 122 ? -25.8   6.828   -1.692  1 36.318 ? 134 LEU   B HA   1 c 1 
ATOM   1775 H HB2  . LEU   A 1 122 ? -25.672 5.085   -0.087  1 34.245 ? 134 LEU   B HB2  1 c 1 
ATOM   1776 H HB3  . LEU   A 1 122 ? -26.33  6.04    1.002   1 36.097 ? 134 LEU   B HB3  1 c 1 
ATOM   1777 H HG   . LEU   A 1 122 ? -28.374 6.007   -0.117  1 37.359 ? 134 LEU   B HG   1 c 1 
ATOM   1778 H HD11 . LEU   A 1 122 ? -27.891 5.919   -2.346  1 36.631 ? 134 LEU   B HD11 1 c 1 
ATOM   1779 H HD12 . LEU   A 1 122 ? -28.544 4.498   -2.082  1 36.186 ? 134 LEU   B HD12 1 c 1 
ATOM   1780 H HD13 . LEU   A 1 122 ? -26.967 4.638   -2.188  1 34.433 ? 134 LEU   B HD13 1 c 1 
ATOM   1781 H HD21 . LEU   A 1 122 ? -27.808 4.191   1.368   1 34.981 ? 134 LEU   B HD21 1 c 1 
ATOM   1782 H HD22 . LEU   A 1 122 ? -27.472 3.314   0.091   1 33.471 ? 134 LEU   B HD22 1 c 1 
ATOM   1783 H HD23 . LEU   A 1 122 ? -28.954 3.825   0.335   1 35.724 ? 134 LEU   B HD23 1 c 1 
ATOM   1784 N N    . LEU   A 1 123 ? -27.196 8.821   -1.553  1 41.218 ? 135 LEU   B N    1 ? 1 
ATOM   1785 C CA   . LEU   A 1 123 ? -28.089 9.966   -1.512  1 43.374 ? 135 LEU   B CA   1 ? 1 
ATOM   1786 C C    . LEU   A 1 123 ? -29.553 9.537   -1.334  1 45.664 ? 135 LEU   B C    1 ? 1 
ATOM   1787 O O    . LEU   A 1 123 ? -30.331 10.192  -0.616  1 45.261 ? 135 LEU   B O    1 ? 1 
ATOM   1788 C CB   . LEU   A 1 123 ? -27.93  10.713  -2.838  1 43.201 ? 135 LEU   B CB   1 ? 1 
ATOM   1789 C CG   . LEU   A 1 123 ? -26.509 11.04   -3.293  1 41.662 ? 135 LEU   B CG   1 ? 1 
ATOM   1790 C CD1  . LEU   A 1 123 ? -26.453 11.858  -4.573  1 42.283 ? 135 LEU   B CD1  1 ? 1 
ATOM   1791 C CD2  . LEU   A 1 123 ? -25.821 11.758  -2.173  1 42.408 ? 135 LEU   B CD2  1 ? 1 
ATOM   1792 H H    . LEU   A 1 123 ? -26.951 8.496   -2.371  1 40.177 ? 135 LEU   B H    1 c 1 
ATOM   1793 H HA   . LEU   A 1 123 ? -27.825 10.555  -0.761  1 43.961 ? 135 LEU   B HA   1 c 1 
ATOM   1794 H HB2  . LEU   A 1 123 ? -28.364 10.179  -3.543  1 43.15  ? 135 LEU   B HB2  1 c 1 
ATOM   1795 H HB3  . LEU   A 1 123 ? -28.433 11.557  -2.771  1 45.03  ? 135 LEU   B HB3  1 c 1 
ATOM   1796 H HG   . LEU   A 1 123 ? -26.029 10.189  -3.454  1 40.08  ? 135 LEU   B HG   1 c 1 
ATOM   1797 H HD11 . LEU   A 1 123 ? -27.087 11.498  -5.216  1 42.832 ? 135 LEU   B HD11 1 c 1 
ATOM   1798 H HD12 . LEU   A 1 123 ? -25.556 11.816  -4.946  1 41.779 ? 135 LEU   B HD12 1 c 1 
ATOM   1799 H HD13 . LEU   A 1 123 ? -26.68  12.783  -4.379  1 44.143 ? 135 LEU   B HD13 1 c 1 
ATOM   1800 H HD21 . LEU   A 1 123 ? -25.544 11.116  -1.498  1 41.1   ? 135 LEU   B HD21 1 c 1 
ATOM   1801 H HD22 . LEU   A 1 123 ? -26.43  12.401  -1.776  1 43.798 ? 135 LEU   B HD22 1 c 1 
ATOM   1802 H HD23 . LEU   A 1 123 ? -25.038 12.222  -2.516  1 42.385 ? 135 LEU   B HD23 1 c 1 
ATOM   1803 N N    . ASP   A 1 124 ? -29.971 8.496   -2.075  1 43.925 ? 136 ASP   B N    1 ? 1 
ATOM   1804 C CA   . ASP   A 1 124 ? -31.386 8.153   -2.043  1 46.336 ? 136 ASP   B CA   1 ? 1 
ATOM   1805 C C    . ASP   A 1 124 ? -31.59  6.817   -2.735  1 43.557 ? 136 ASP   B C    1 ? 1 
ATOM   1806 O O    . ASP   A 1 124 ? -30.707 6.411   -3.464  1 39.08  ? 136 ASP   B O    1 ? 1 
ATOM   1807 C CB   . ASP   A 1 124 ? -32.228 9.214   -2.75   1 49.567 ? 136 ASP   B CB   1 ? 1 
ATOM   1808 C CG   . ASP   A 1 124 ? -33.687 9.335   -2.341  1 50.873 ? 136 ASP   B CG   1 ? 1 
ATOM   1809 O OD1  . ASP   A 1 124 ? -34.097 8.629   -1.409  1 51.401 ? 136 ASP   B OD1  1 ? 1 
ATOM   1810 O OD2  . ASP   A 1 124 ? -34.385 10.165  -2.949  1 53.959 ? 136 ASP   B OD2  1 ? 1 
ATOM   1811 H H    . ASP   A 1 124 ? -29.392 8.015   -2.593  1 43.041 ? 136 ASP   B H    1 c 1 
ATOM   1812 H HA   . ASP   A 1 124 ? -31.671 8.073   -1.104  1 46.35  ? 136 ASP   B HA   1 c 1 
ATOM   1813 H HB2  . ASP   A 1 124 ? -31.816 10.092  -2.623  1 49.516 ? 136 ASP   B HB2  1 c 1 
ATOM   1814 H HB3  . ASP   A 1 124 ? -32.211 9.025   -3.712  1 48.999 ? 136 ASP   B HB3  1 c 1 
ATOM   1815 N N    . PHE   A 1 125 ? -32.776 6.2     -2.543  1 45.884 ? 137 PHE   B N    1 ? 1 
ATOM   1816 C CA   . PHE   A 1 125 ? -33.204 5.049   -3.343  1 45.647 ? 137 PHE   B CA   1 ? 1 
ATOM   1817 C C    . PHE   A 1 125 ? -34.735 4.983   -3.397  1 48.491 ? 137 PHE   B C    1 ? 1 
ATOM   1818 O O    . PHE   A 1 125 ? -35.424 5.221   -2.401  1 49.304 ? 137 PHE   B O    1 ? 1 
ATOM   1819 C CB   . PHE   A 1 125 ? -32.512 3.759   -2.87   1 42.594 ? 137 PHE   B CB   1 ? 1 
ATOM   1820 C CG   . PHE   A 1 125 ? -32.724 3.374   -1.413  1 42.1   ? 137 PHE   B CG   1 ? 1 
ATOM   1821 C CD1  . PHE   A 1 125 ? -32.062 4.034   -0.383  1 40.971 ? 137 PHE   B CD1  1 ? 1 
ATOM   1822 C CD2  . PHE   A 1 125 ? -33.583 2.335   -1.066  1 43.722 ? 137 PHE   B CD2  1 ? 1 
ATOM   1823 C CE1  . PHE   A 1 125 ? -32.277 3.688   0.95    1 41.823 ? 137 PHE   B CE1  1 ? 1 
ATOM   1824 C CE2  . PHE   A 1 125 ? -33.807 2       0.277   1 43.817 ? 137 PHE   B CE2  1 ? 1 
ATOM   1825 C CZ   . PHE   A 1 125 ? -33.154 2.672   1.282   1 43.028 ? 137 PHE   B CZ   1 ? 1 
ATOM   1826 H H    . PHE   A 1 125 ? -33.332 6.506   -1.885  1 46.841 ? 137 PHE   B H    1 c 1 
ATOM   1827 H HA   . PHE   A 1 125 ? -32.89  5.219   -4.267  1 45.194 ? 137 PHE   B HA   1 c 1 
ATOM   1828 H HB2  . PHE   A 1 125 ? -32.825 3.019   -3.436  1 42.73  ? 137 PHE   B HB2  1 c 1 
ATOM   1829 H HB3  . PHE   A 1 125 ? -31.546 3.855   -3.029  1 41.112 ? 137 PHE   B HB3  1 c 1 
ATOM   1830 H HD1  . PHE   A 1 125 ? -31.473 4.741   -0.591  1 40.727 ? 137 PHE   B HD1  1 c 1 
ATOM   1831 H HD2  . PHE   A 1 125 ? -34.054 1.878   -1.745  1 44.06  ? 137 PHE   B HD2  1 c 1 
ATOM   1832 H HE1  . PHE   A 1 125 ? -31.822 4.155   1.632   1 41.605 ? 137 PHE   B HE1  1 c 1 
ATOM   1833 H HE2  . PHE   A 1 125 ? -34.398 1.296   0.491   1 44.743 ? 137 PHE   B HE2  1 c 1 
ATOM   1834 H HZ   . PHE   A 1 125 ? -33.286 2.429   2.185   1 43.575 ? 137 PHE   B HZ   1 c 1 
ATOM   1835 N N    . LYS   A 1 126 ? -35.257 4.707   -4.606  1 50.29  ? 138 LYS   B N    1 ? 1 
ATOM   1836 C CA   . LYS   A 1 126 ? -36.694 4.657   -4.888  1 53.102 ? 138 LYS   B CA   1 ? 1 
ATOM   1837 C C    . LYS   A 1 126 ? -37.044 3.242   -5.374  1 52.6   ? 138 LYS   B C    1 ? 1 
ATOM   1838 O O    . LYS   A 1 126 ? -36.211 2.533   -5.923  1 47.492 ? 138 LYS   B O    1 ? 1 
ATOM   1839 C CB   . LYS   A 1 126 ? -37.1   5.772   -5.869  1 53.833 ? 138 LYS   B CB   1 ? 1 
ATOM   1840 H H    . LYS   A 1 126 ? -34.681 4.534   -5.294  1 48.994 ? 138 LYS   B H    1 c 1 
ATOM   1841 H HA   . LYS   A 1 126 ? -37.18  4.815   -4.039  1 53.73  ? 138 LYS   B HA   1 c 1 
ATOM   1842 H HB2  . LYS   A 1 126 ? -36.222 6.181   -6.194  0 30     ? 138 LYS   B HB2  1 c 1 
ATOM   1843 H HB3  . LYS   A 1 126 ? -38.02  5.827   -5.88   0 30     ? 138 LYS   B HB3  1 c 1 
ATOM   1844 N N    . GLY   A 1 127 ? -38.278 2.787   -5.151  1 55.867 ? 139 GLY   B N    1 ? 1 
ATOM   1845 C CA   . GLY   A 1 127 ? -38.659 1.466   -5.626  1 56.311 ? 139 GLY   B CA   1 ? 1 
ATOM   1846 C C    . GLY   A 1 127 ? -39.006 1.504   -7.114  1 60.444 ? 139 GLY   B C    1 ? 1 
ATOM   1847 O O    . GLY   A 1 127 ? -39.731 2.406   -7.544  1 64.731 ? 139 GLY   B O    1 ? 1 
ATOM   1848 H H    . GLY   A 1 127 ? -38.887 3.298   -4.701  1 57.236 ? 139 GLY   B H    1 c 1 
ATOM   1849 H HA2  . GLY   A 1 127 ? -37.918 0.834   -5.471  1 54.834 ? 139 GLY   B HA2  1 c 1 
ATOM   1850 H HA3  . GLY   A 1 127 ? -39.44  1.151   -5.113  1 58.525 ? 139 GLY   B HA3  1 c 1 
ATOM   1851 N N    . GLU   A 1 128 ? -38.498 0.522   -7.887  1 61.636 ? 140 GLU   B N    1 ? 1 
ATOM   1852 C CA   . GLU   A 1 128 ? -38.926 0.307   -9.267  1 64.561 ? 140 GLU   B CA   1 ? 1 
ATOM   1853 C C    . GLU   A 1 128 ? -40.417 0.705   -9.391  1 69.382 ? 140 GLU   B C    1 ? 1 
ATOM   1854 O O    . GLU   A 1 128 ? -41.198 0.293   -8.51   1 71.962 ? 140 GLU   B O    1 ? 1 
ATOM   1855 C CB   . GLU   A 1 128 ? -38.678 -1.127  -9.753  1 61.941 ? 140 GLU   B CB   1 ? 1 
ATOM   1856 O OXT  . GLU   A 1 128 ? -40.745 1.461   -10.333 1 71.488 ? 140 GLU   B OXT  1 ? 1 
ATOM   1857 H H    . GLU   A 1 128 ? -37.861 -0.032  -7.536  1 59.316 ? 140 GLU   B H    1 c 1 
ATOM   1858 H HA   . GLU   A 1 128 ? -38.398 0.915   -9.845  1 63.452 ? 140 GLU   B HA   1 c 1 
ATOM   1859 H HB2  . GLU   A 1 128 ? -37.454 -0.738  -9.788  0 30     ? 140 GLU   B HB2  1 c 1 
ATOM   1860 H HB3  . GLU   A 1 128 ? -39.176 -1.352  -10.11  0 30     ? 140 GLU   B HB3  1 c 1 
ATOM   1861 N N    . GLY   B 1 1   ? 4.927   -20.392 -38.526 1 71.692 ? 13  GLY   A N    1 ? 2 
ATOM   1862 C CA   . GLY   B 1 1   ? 3.932   -20.461 -37.442 1 69.323 ? 13  GLY   A CA   1 ? 2 
ATOM   1863 C C    . GLY   B 1 1   ? 2.576   -19.895 -37.869 1 67.825 ? 13  GLY   A C    1 ? 2 
ATOM   1864 O O    . GLY   B 1 1   ? 2.472   -19.047 -38.761 1 67.483 ? 13  GLY   A O    1 ? 2 
ATOM   1865 H H1   . GLY   B 1 1   ? 5.697   -20.791 -38.265 1 73.086 ? 13  GLY   A H1   1 c 2 
ATOM   1866 H H2   . GLY   B 1 1   ? 5.1     -19.528 -38.732 1 71.583 ? 13  GLY   A H2   1 c 2 
ATOM   1867 H H3   . GLY   B 1 1   ? 4.613   -20.812 -39.263 1 73.594 ? 13  GLY   A H3   1 c 2 
ATOM   1868 H HA2  . GLY   B 1 1   ? 3.825   -21.401 -37.169 1 69.722 ? 13  GLY   A HA2  1 c 2 
ATOM   1869 H HA3  . GLY   B 1 1   ? 4.269   -19.957 -36.665 1 67.448 ? 13  GLY   A HA3  1 c 2 
ATOM   1870 N N    . ALA   B 1 2   ? 1.52    -20.371 -37.206 1 61.559 ? 14  ALA   A N    1 ? 2 
ATOM   1871 C CA   . ALA   B 1 2   ? 0.218   -19.761 -37.375 1 58.877 ? 14  ALA   A CA   1 ? 2 
ATOM   1872 C C    . ALA   B 1 2   ? 0.3     -18.283 -37.009 1 52.347 ? 14  ALA   A C    1 ? 2 
ATOM   1873 O O    . ALA   B 1 2   ? -0.259  -17.444 -37.707 1 47.445 ? 14  ALA   A O    1 ? 2 
ATOM   1874 C CB   . ALA   B 1 2   ? -0.807  -20.481 -36.537 1 59.229 ? 14  ALA   A CB   1 ? 2 
ATOM   1875 H H    . ALA   B 1 2   ? 1.611   -21.085 -36.644 1 62.381 ? 14  ALA   A H    1 c 2 
ATOM   1876 H HA   . ALA   B 1 2   ? -0.038  -19.832 -38.336 1 60.153 ? 14  ALA   A HA   1 c 2 
ATOM   1877 H HB1  . ALA   B 1 2   ? -0.825  -21.422 -36.78  1 60.364 ? 14  ALA   A HB1  1 c 2 
ATOM   1878 H HB2  . ALA   B 1 2   ? -0.581  -20.396 -35.596 1 57.207 ? 14  ALA   A HB2  1 c 2 
ATOM   1879 H HB3  . ALA   B 1 2   ? -1.685  -20.093 -36.691 1 57.718 ? 14  ALA   A HB3  1 c 2 
ATOM   1880 N N    . PRO   B 1 3   ? 1.01    -17.901 -35.921 1 49.404 ? 15  PRO   A N    1 ? 2 
ATOM   1881 C CA   . PRO   B 1 3   ? 1.048   -16.502 -35.536 1 46.76  ? 15  PRO   A CA   1 ? 2 
ATOM   1882 C C    . PRO   B 1 3   ? 1.51    -15.626 -36.69  1 48.218 ? 15  PRO   A C    1 ? 2 
ATOM   1883 O O    . PRO   B 1 3   ? 0.848   -14.652 -37.01  1 49.838 ? 15  PRO   A O    1 ? 2 
ATOM   1884 C CB   . PRO   B 1 3   ? 1.918   -16.485 -34.283 1 47.297 ? 15  PRO   A CB   1 ? 2 
ATOM   1885 C CG   . PRO   B 1 3   ? 1.795   -17.897 -33.749 1 47.395 ? 15  PRO   A CG   1 ? 2 
ATOM   1886 C CD   . PRO   B 1 3   ? 1.756   -18.759 -34.988 1 48.682 ? 15  PRO   A CD   1 ? 2 
ATOM   1887 H HA   . PRO   B 1 3   ? 0.143   -16.226 -35.28  1 45.672 ? 15  PRO   A HA   1 c 2 
ATOM   1888 H HB2  . PRO   B 1 3   ? 2.846   -16.273 -34.504 1 48.101 ? 15  PRO   A HB2  1 c 2 
ATOM   1889 H HB3  . PRO   B 1 3   ? 1.585   -15.835 -33.635 1 45.218 ? 15  PRO   A HB3  1 c 2 
ATOM   1890 H HG2  . PRO   B 1 3   ? 2.562   -18.129 -33.189 1 47.499 ? 15  PRO   A HG2  1 c 2 
ATOM   1891 H HG3  . PRO   B 1 3   ? 0.975   -18.005 -33.226 1 45.76  ? 15  PRO   A HG3  1 c 2 
ATOM   1892 H HD2  . PRO   B 1 3   ? 2.654   -18.944 -35.321 1 51.058 ? 15  PRO   A HD2  1 c 2 
ATOM   1893 H HD3  . PRO   B 1 3   ? 1.287   -19.598 -34.823 1 49.612 ? 15  PRO   A HD3  1 c 2 
ATOM   1894 N N    . ALA   B 1 4   ? 2.591   -16.012 -37.362 1 47.727 ? 16  ALA   A N    1 ? 2 
ATOM   1895 C CA   . ALA   B 1 4   ? 3.118   -15.218 -38.458 1 48.149 ? 16  ALA   A CA   1 ? 2 
ATOM   1896 C C    . ALA   B 1 4   ? 2.155   -15.194 -39.629 1 49.685 ? 16  ALA   A C    1 ? 2 
ATOM   1897 O O    . ALA   B 1 4   ? 2.09    -14.199 -40.345 1 48.874 ? 16  ALA   A O    1 ? 2 
ATOM   1898 C CB   . ALA   B 1 4   ? 4.432   -15.758 -38.931 1 52.044 ? 16  ALA   A CB   1 ? 2 
ATOM   1899 H H    . ALA   B 1 4   ? 3.018   -16.786 -37.13  1 48.726 ? 16  ALA   A H    1 c 2 
ATOM   1900 H HA   . ALA   B 1 4   ? 3.244   -14.283 -38.136 1 47.864 ? 16  ALA   A HA   1 c 2 
ATOM   1901 H HB1  . ALA   B 1 4   ? 5.069   -15.759 -38.197 1 51.214 ? 16  ALA   A HB1  1 c 2 
ATOM   1902 H HB2  . ALA   B 1 4   ? 4.314   -16.667 -39.255 1 52.914 ? 16  ALA   A HB2  1 c 2 
ATOM   1903 H HB3  . ALA   B 1 4   ? 4.774   -15.202 -39.652 1 53.412 ? 16  ALA   A HB3  1 c 2 
ATOM   1904 N N    . THR   B 1 5   ? 1.476   -16.313 -39.892 1 50.592 ? 17  THR   A N    1 ? 2 
ATOM   1905 C CA   . THR   B 1 5   ? 0.588   -16.335 -41.042 1 52.935 ? 17  THR   A CA   1 ? 2 
ATOM   1906 C C    . THR   B 1 5   ? -0.506  -15.285 -40.801 1 52.515 ? 17  THR   A C    1 ? 2 
ATOM   1907 O O    . THR   B 1 5   ? -0.858  -14.53  -41.711 1 52.938 ? 17  THR   A O    1 ? 2 
ATOM   1908 C CB   . THR   B 1 5   ? 0.034   -17.746 -41.251 1 55.436 ? 17  THR   A CB   1 ? 2 
ATOM   1909 O OG1  . THR   B 1 5   ? 1.156   -18.608 -41.392 1 60.106 ? 17  THR   A OG1  1 ? 2 
ATOM   1910 C CG2  . THR   B 1 5   ? -0.838  -17.886 -42.489 1 55.894 ? 17  THR   A CG2  1 ? 2 
ATOM   1911 H H    . THR   B 1 5   ? 1.566   -17.058 -39.369 1 50.308 ? 17  THR   A H    1 c 2 
ATOM   1912 H HA   . THR   B 1 5   ? 1.103   -16.08  -41.838 1 55.553 ? 17  THR   A HA   1 c 2 
ATOM   1913 H HB   . THR   B 1 5   ? -0.488  -18.016 -40.458 1 53.272 ? 17  THR   A HB   1 c 2 
ATOM   1914 H HG1  . THR   B 1 5   ? 1.635   -18.333 -42.042 0 30     ? 17  THR   A HG1  1 c 2 
ATOM   1915 H HG21 . THR   B 1 5   ? -1.06   -18.822 -42.626 1 57.495 ? 17  THR   A HG21 1 c 2 
ATOM   1916 H HG22 . THR   B 1 5   ? -0.357  -17.551 -43.265 1 58.466 ? 17  THR   A HG22 1 c 2 
ATOM   1917 H HG23 . THR   B 1 5   ? -1.656  -17.374 -42.371 1 54.909 ? 17  THR   A HG23 1 c 2 
ATOM   1918 N N    . VAL   B 1 6   ? -1      -15.199 -39.55  1 46.998 ? 18  VAL   A N    1 ? 2 
ATOM   1919 C CA   . VAL   B 1 6   ? -2.041  -14.244 -39.191 1 44.17  ? 18  VAL   A CA   1 ? 2 
ATOM   1920 C C    . VAL   B 1 6   ? -1.534  -12.821 -39.398 1 44.818 ? 18  VAL   A C    1 ? 2 
ATOM   1921 O O    . VAL   B 1 6   ? -2.226  -12.024 -40.023 1 44.416 ? 18  VAL   A O    1 ? 2 
ATOM   1922 C CB   . VAL   B 1 6   ? -2.624  -14.391 -37.767 1 40.362 ? 18  VAL   A CB   1 ? 2 
ATOM   1923 C CG1  . VAL   B 1 6   ? -3.524  -13.204 -37.388 1 38.438 ? 18  VAL   A CG1  1 ? 2 
ATOM   1924 C CG2  . VAL   B 1 6   ? -3.347  -15.731 -37.591 1 39.514 ? 18  VAL   A CG2  1 ? 2 
ATOM   1925 H H    . VAL   B 1 6   ? -0.681  -15.761 -38.904 1 46.72  ? 18  VAL   A H    1 c 2 
ATOM   1926 H HA   . VAL   B 1 6   ? -2.778  -14.38  -39.815 1 44.977 ? 18  VAL   A HA   1 c 2 
ATOM   1927 H HB   . VAL   B 1 6   ? -1.86   -14.388 -37.144 1 39.804 ? 18  VAL   A HB   1 c 2 
ATOM   1928 H HG11 . VAL   B 1 6   ? -4.087  -12.967 -38.144 1 39.393 ? 18  VAL   A HG11 1 c 2 
ATOM   1929 H HG12 . VAL   B 1 6   ? -2.973  -12.441 -37.143 1 38.216 ? 18  VAL   A HG12 1 c 2 
ATOM   1930 H HG13 . VAL   B 1 6   ? -4.085  -13.451 -36.633 1 36.962 ? 18  VAL   A HG13 1 c 2 
ATOM   1931 H HG21 . VAL   B 1 6   ? -3.663  -15.812 -36.676 1 38.074 ? 18  VAL   A HG21 1 c 2 
ATOM   1932 H HG22 . VAL   B 1 6   ? -2.734  -16.459 -37.787 1 41.065 ? 18  VAL   A HG22 1 c 2 
ATOM   1933 H HG23 . VAL   B 1 6   ? -4.104  -15.774 -38.199 1 40.406 ? 18  VAL   A HG23 1 c 2 
ATOM   1934 N N    . THR   B 1 7   ? -0.365  -12.509 -38.834 1 45.478 ? 19  THR   A N    1 ? 2 
ATOM   1935 C CA   . THR   B 1 7   ? 0.338   -11.287 -39.168 1 50.234 ? 19  THR   A CA   1 ? 2 
ATOM   1936 C C    . THR   B 1 7   ? 0.3     -11.088 -40.693 1 55.914 ? 19  THR   A C    1 ? 2 
ATOM   1937 O O    . THR   B 1 7   ? -0.275  -10.119 -41.161 1 55.905 ? 19  THR   A O    1 ? 2 
ATOM   1938 C CB   . THR   B 1 7   ? 1.739   -11.378 -38.564 1 53.035 ? 19  THR   A CB   1 ? 2 
ATOM   1939 O OG1  . THR   B 1 7   ? 1.578   -11.153 -37.164 1 50.094 ? 19  THR   A OG1  1 ? 2 
ATOM   1940 C CG2  . THR   B 1 7   ? 2.695   -10.319 -39.079 1 57.675 ? 19  THR   A CG2  1 ? 2 
ATOM   1941 H H    . THR   B 1 7   ? -0      -13.075 -38.217 1 45.416 ? 19  THR   A H    1 c 2 
ATOM   1942 H HA   . THR   B 1 7   ? -0.133  -10.537 -38.744 1 49.066 ? 19  THR   A HA   1 c 2 
ATOM   1943 H HB   . THR   B 1 7   ? 2.122   -12.275 -38.714 1 53.665 ? 19  THR   A HB   1 c 2 
ATOM   1944 H HG1  . THR   B 1 7   ? 1.232   -10.313 -37.025 0 30     ? 19  THR   A HG1  1 c 2 
ATOM   1945 H HG21 . THR   B 1 7   ? 3.47    -10.268 -38.493 1 56.768 ? 19  THR   A HG21 1 c 2 
ATOM   1946 H HG22 . THR   B 1 7   ? 2.247   -9.456  -39.096 1 56.542 ? 19  THR   A HG22 1 c 2 
ATOM   1947 H HG23 . THR   B 1 7   ? 2.985   -10.55  -39.977 1 59.142 ? 19  THR   A HG23 1 c 2 
ATOM   1948 N N    . GLU   B 1 8   ? 0.8     -12.048 -41.484 1 60.655 ? 20  GLU   A N    1 ? 2 
ATOM   1949 C CA   . GLU   B 1 8   ? 0.922   -11.885 -42.935 1 63.739 ? 20  GLU   A CA   1 ? 2 
ATOM   1950 C C    . GLU   B 1 8   ? -0.42   -11.551 -43.605 1 61.607 ? 20  GLU   A C    1 ? 2 
ATOM   1951 O O    . GLU   B 1 8   ? -0.501  -10.543 -44.289 1 58.689 ? 20  GLU   A O    1 ? 2 
ATOM   1952 C CB   . GLU   B 1 8   ? 1.526   -13.107 -43.636 1 63.619 ? 20  GLU   A CB   1 ? 2 
ATOM   1953 H H    . GLU   B 1 8   ? 1.077   -12.832 -41.105 1 59.436 ? 20  GLU   A H    1 c 2 
ATOM   1954 H HA   . GLU   B 1 8   ? 1.536   -11.125 -43.098 1 63.875 ? 20  GLU   A HA   1 c 2 
ATOM   1955 H HB2  . GLU   B 1 8   ? 2.587   -12.814 -43.506 0 30     ? 20  GLU   A HB2  1 c 2 
ATOM   1956 H HB3  . GLU   B 1 8   ? 0.933   -13.545 -43.93  0 30     ? 20  GLU   A HB3  1 c 2 
ATOM   1957 N N    . GLN   B 1 9   ? -1.458  -12.379 -43.407 1 59.267 ? 21  GLN   A N    1 ? 2 
ATOM   1958 C CA   . GLN   B 1 9   ? -2.632  -12.393 -44.276 1 58.444 ? 21  GLN   A CA   1 ? 2 
ATOM   1959 C C    . GLN   B 1 9   ? -3.93   -12.219 -43.458 1 53.932 ? 21  GLN   A C    1 ? 2 
ATOM   1960 O O    . GLN   B 1 9   ? -5.039  -12.409 -43.967 1 53.4   ? 21  GLN   A O    1 ? 2 
ATOM   1961 C CB   . GLN   B 1 9   ? -2.525  -13.682 -45.106 1 61.059 ? 21  GLN   A CB   1 ? 2 
ATOM   1962 H H    . GLN   B 1 9   ? -1.427  -12.964 -42.705 1 57.389 ? 21  GLN   A H    1 c 2 
ATOM   1963 H HA   . GLN   B 1 9   ? -2.563  -11.628 -44.902 1 60.154 ? 21  GLN   A HA   1 c 2 
ATOM   1964 H HB2  . GLN   B 1 9   ? -1.572  -13.942 -45.158 0 30     ? 21  GLN   A HB2  1 c 2 
ATOM   1965 H HB3  . GLN   B 1 9   ? -3.426  -14.032 -45.212 0 30     ? 21  GLN   A HB3  1 c 2 
ATOM   1966 N N    . GLY   B 1 10  ? -3.815  -11.824 -42.181 1 48.388 ? 22  GLY   A N    1 ? 2 
ATOM   1967 C CA   . GLY   B 1 10  ? -4.975  -11.739 -41.308 1 43.979 ? 22  GLY   A CA   1 ? 2 
ATOM   1968 C C    . GLY   B 1 10  ? -5.696  -10.401 -41.456 1 42.516 ? 22  GLY   A C    1 ? 2 
ATOM   1969 O O    . GLY   B 1 10  ? -5.078  -9.351  -41.627 1 40.576 ? 22  GLY   A O    1 ? 2 
ATOM   1970 H H    . GLY   B 1 10  ? -2.997  -11.59  -41.849 1 48.441 ? 22  GLY   A H    1 c 2 
ATOM   1971 H HA2  . GLY   B 1 10  ? -5.595  -12.473 -41.522 1 44.359 ? 22  GLY   A HA2  1 c 2 
ATOM   1972 H HA3  . GLY   B 1 10  ? -4.685  -11.852 -40.374 1 42.238 ? 22  GLY   A HA3  1 c 2 
ATOM   1973 N N    . GLU   B 1 11  ? -7.018  -10.475 -41.334 1 42.491 ? 23  GLU   A N    1 ? 2 
ATOM   1974 C CA   . GLU   B 1 11  ? -7.904  -9.325  -41.442 1 45.342 ? 23  GLU   A CA   1 ? 2 
ATOM   1975 C C    . GLU   B 1 11  ? -8.025  -8.544  -40.115 1 38.857 ? 23  GLU   A C    1 ? 2 
ATOM   1976 O O    . GLU   B 1 11  ? -8.197  -9.106  -39.051 1 31.044 ? 23  GLU   A O    1 ? 2 
ATOM   1977 C CB   . GLU   B 1 11  ? -9.221  -9.901  -41.964 1 51.857 ? 23  GLU   A CB   1 ? 2 
ATOM   1978 C CG   . GLU   B 1 11  ? -10.367 -8.898  -41.957 1 61.2   ? 23  GLU   A CG   1 ? 2 
ATOM   1979 C CD   . GLU   B 1 11  ? -11.758 -9.495  -42.144 1 71.29  ? 23  GLU   A CD   1 ? 2 
ATOM   1980 O OE1  . GLU   B 1 11  ? -11.943 -10.432 -42.952 1 75.996 ? 23  GLU   A OE1  1 ? 2 
ATOM   1981 O OE2  . GLU   B 1 11  ? -12.692 -8.965  -41.513 1 77.451 ? 23  GLU   A OE2  1 ? 2 
ATOM   1982 H H    . GLU   B 1 11  ? -7.391  -11.292 -41.164 1 42.526 ? 23  GLU   A H    1 c 2 
ATOM   1983 H HA   . GLU   B 1 11  ? -7.538  -8.717  -42.135 1 46.627 ? 23  GLU   A HA   1 c 2 
ATOM   1984 H HB2  . GLU   B 1 11  ? -9.085  -10.225 -42.879 1 54.325 ? 23  GLU   A HB2  1 c 2 
ATOM   1985 H HB3  . GLU   B 1 11  ? -9.475  -10.669 -41.41  1 50.81  ? 23  GLU   A HB3  1 c 2 
ATOM   1986 H HG2  . GLU   B 1 11  ? -10.358 -8.409  -41.107 1 58.941 ? 23  GLU   A HG2  1 c 2 
ATOM   1987 H HG3  . GLU   B 1 11  ? -10.216 -8.242  -42.671 1 62.52  ? 23  GLU   A HG3  1 c 2 
ATOM   1988 N N    . ASP   B 1 12  ? -7.907  -7.217  -40.229 1 38.806 ? 24  ASP   A N    1 ? 2 
ATOM   1989 C CA   . ASP   B 1 12  ? -7.991  -6.287  -39.129 1 36.339 ? 24  ASP   A CA   1 ? 2 
ATOM   1990 C C    . ASP   B 1 12  ? -9.457  -6.048  -38.804 1 36.56  ? 24  ASP   A C    1 ? 2 
ATOM   1991 O O    . ASP   B 1 12  ? -10.204 -5.475  -39.589 1 36.588 ? 24  ASP   A O    1 ? 2 
ATOM   1992 C CB   . ASP   B 1 12  ? -7.34   -4.952  -39.453 1 37.007 ? 24  ASP   A CB   1 ? 2 
ATOM   1993 C CG   . ASP   B 1 12  ? -7.2    -4.021  -38.251 1 36.699 ? 24  ASP   A CG   1 ? 2 
ATOM   1994 O OD1  . ASP   B 1 12  ? -7.769  -4.354  -37.174 1 32.744 ? 24  ASP   A OD1  1 ? 2 
ATOM   1995 O OD2  . ASP   B 1 12  ? -6.533  -2.969  -38.387 1 37.73  ? 24  ASP   A OD2  1 ? 2 
ATOM   1996 H H    . ASP   B 1 12  ? -7.765  -6.872  -41.064 1 40.816 ? 24  ASP   A H    1 c 2 
ATOM   1997 H HA   . ASP   B 1 12  ? -7.545  -6.682  -38.348 1 34.964 ? 24  ASP   A HA   1 c 2 
ATOM   1998 H HB2  . ASP   B 1 12  ? -6.445  -5.12   -39.815 1 38.444 ? 24  ASP   A HB2  1 c 2 
ATOM   1999 H HB3  . ASP   B 1 12  ? -7.863  -4.493  -40.143 1 39.051 ? 24  ASP   A HB3  1 c 2 
ATOM   2000 N N    . ILE   B 1 13  ? -9.864  -6.461  -37.604 1 35.526 ? 25  ILE   A N    1 ? 2 
ATOM   2001 C CA   . ILE   B 1 13  ? -11.28  -6.477  -37.303 1 33.54  ? 25  ILE   A CA   1 ? 2 
ATOM   2002 C C    . ILE   B 1 13  ? -11.572 -5.472  -36.209 1 32.703 ? 25  ILE   A C    1 ? 2 
ATOM   2003 O O    . ILE   B 1 13  ? -12.703 -5.434  -35.727 1 33.349 ? 25  ILE   A O    1 ? 2 
ATOM   2004 C CB   . ILE   B 1 13  ? -11.767 -7.886  -36.947 1 32.429 ? 25  ILE   A CB   1 ? 2 
ATOM   2005 C CG1  . ILE   B 1 13  ? -11.017 -8.504  -35.8   1 31.711 ? 25  ILE   A CG1  1 ? 2 
ATOM   2006 C CG2  . ILE   B 1 13  ? -11.701 -8.786  -38.167 1 35.11  ? 25  ILE   A CG2  1 ? 2 
ATOM   2007 C CD1  . ILE   B 1 13  ? -11.736 -9.695  -35.181 1 30.697 ? 25  ILE   A CD1  1 ? 2 
ATOM   2008 H H    . ILE   B 1 13  ? -9.263  -6.742  -36.976 1 33.745 ? 25  ILE   A H    1 c 2 
ATOM   2009 H HA   . ILE   B 1 13  ? -11.763 -6.194  -38.103 1 35.353 ? 25  ILE   A HA   1 c 2 
ATOM   2010 H HB   . ILE   B 1 13  ? -12.706 -7.816  -36.681 1 32.579 ? 25  ILE   A HB   1 c 2 
ATOM   2011 H HG12 . ILE   B 1 13  ? -10.139 -8.797  -36.119 1 31.776 ? 25  ILE   A HG12 1 c 2 
ATOM   2012 H HG13 . ILE   B 1 13  ? -10.875 -7.826  -35.109 1 30.677 ? 25  ILE   A HG13 1 c 2 
ATOM   2013 H HG21 . ILE   B 1 13  ? -12.139 -9.632  -37.973 1 34.422 ? 25  ILE   A HG21 1 c 2 
ATOM   2014 H HG22 . ILE   B 1 13  ? -10.773 -8.95   -38.401 1 35.159 ? 25  ILE   A HG22 1 c 2 
ATOM   2015 H HG23 . ILE   B 1 13  ? -12.15  -8.356  -38.914 1 36.399 ? 25  ILE   A HG23 1 c 2 
ATOM   2016 H HD11 . ILE   B 1 13  ? -12.652 -9.445  -34.957 1 30.578 ? 25  ILE   A HD11 1 c 2 
ATOM   2017 H HD12 . ILE   B 1 13  ? -11.268 -9.971  -34.369 1 29.592 ? 25  ILE   A HD12 1 c 2 
ATOM   2018 H HD13 . ILE   B 1 13  ? -11.749 -10.438 -35.814 1 31.518 ? 25  ILE   A HD13 1 c 2 
ATOM   2019 N N    . THR   B 1 14  ? -10.58  -4.622  -35.903 1 33.067 ? 26  THR   A N    1 ? 2 
ATOM   2020 C CA   . THR   B 1 14  ? -10.776 -3.528  -34.967 1 33.571 ? 26  THR   A CA   1 ? 2 
ATOM   2021 C C    . THR   B 1 14  ? -11.513 -2.39   -35.691 1 38.617 ? 26  THR   A C    1 ? 2 
ATOM   2022 O O    . THR   B 1 14  ? -11.482 -2.243  -36.926 1 40.141 ? 26  THR   A O    1 ? 2 
ATOM   2023 C CB   . THR   B 1 14  ? -9.471  -3.04   -34.33  1 32.014 ? 26  THR   A CB   1 ? 2 
ATOM   2024 O OG1  . THR   B 1 14  ? -8.662  -2.523  -35.375 1 34.813 ? 26  THR   A OG1  1 ? 2 
ATOM   2025 C CG2  . THR   B 1 14  ? -8.649  -4.127  -33.669 1 30.129 ? 26  THR   A CG2  1 ? 2 
ATOM   2026 H H    . THR   B 1 14  ? -9.758  -4.723  -36.289 1 33.738 ? 26  THR   A H    1 c 2 
ATOM   2027 H HA   . THR   B 1 14  ? -11.355 -3.856  -34.244 1 32.51  ? 26  THR   A HA   1 c 2 
ATOM   2028 H HB   . THR   B 1 14  ? -9.66   -2.325  -33.677 1 32.39  ? 26  THR   A HB   1 c 2 
ATOM   2029 H HG1  . THR   B 1 14  ? -8.509  -3.169  -35.978 0 30     ? 26  THR   A HG1  1 c 2 
ATOM   2030 H HG21 . THR   B 1 14  ? -7.879  -3.73   -33.229 1 30.171 ? 26  THR   A HG21 1 c 2 
ATOM   2031 H HG22 . THR   B 1 14  ? -8.346  -4.76   -34.341 1 30.504 ? 26  THR   A HG22 1 c 2 
ATOM   2032 H HG23 . THR   B 1 14  ? -9.193  -4.591  -33.01  1 28.962 ? 26  THR   A HG23 1 c 2 
ATOM   2033 N N    . SER   B 1 15  ? -12.228 -1.621  -34.87  1 41.103 ? 27  SER   A N    1 ? 2 
ATOM   2034 C CA   . SER   B 1 15  ? -12.9   -0.404  -35.286 1 45.384 ? 27  SER   A CA   1 ? 2 
ATOM   2035 C C    . SER   B 1 15  ? -11.9   0.679   -35.663 1 48.019 ? 27  SER   A C    1 ? 2 
ATOM   2036 O O    . SER   B 1 15  ? -12.096 1.395   -36.651 1 49.783 ? 27  SER   A O    1 ? 2 
ATOM   2037 C CB   . SER   B 1 15  ? -13.755 0.067   -34.168 1 46.601 ? 27  SER   A CB   1 ? 2 
ATOM   2038 O OG   . SER   B 1 15  ? -14.672 -0.957  -33.815 1 46.709 ? 27  SER   A OG   1 ? 2 
ATOM   2039 H H    . SER   B 1 15  ? -12.299 -1.872  -33.993 1 39.477 ? 27  SER   A H    1 c 2 
ATOM   2040 H HA   . SER   B 1 15  ? -13.471 -0.605  -36.071 1 46.283 ? 27  SER   A HA   1 c 2 
ATOM   2041 H HB2  . SER   B 1 15  ? -13.197 0.29    -33.4   1 45.89  ? 27  SER   A HB2  1 c 2 
ATOM   2042 H HB3  . SER   B 1 15  ? -14.243 0.866   -34.443 1 48.202 ? 27  SER   A HB3  1 c 2 
ATOM   2043 H HG   . SER   B 1 15  ? -15.164 -0.678  -33.168 0 30     ? 27  SER   A HG   1 c 2 
ATOM   2044 N N    . LYS   B 1 16  ? -10.856 0.803   -34.826 1 48.409 ? 28  LYS   A N    1 ? 2 
ATOM   2045 C CA   . LYS   B 1 16  ? -9.856  1.852   -34.964 1 49.082 ? 28  LYS   A CA   1 ? 2 
ATOM   2046 C C    . LYS   B 1 16  ? -8.84   1.525   -36.045 1 45.558 ? 28  LYS   A C    1 ? 2 
ATOM   2047 O O    . LYS   B 1 16  ? -7.967  2.342   -36.277 1 46.647 ? 28  LYS   A O    1 ? 2 
ATOM   2048 C CB   . LYS   B 1 16  ? -9.027  2.053   -33.696 1 48.999 ? 28  LYS   A CB   1 ? 2 
ATOM   2049 C CG   . LYS   B 1 16  ? -9.731  2.831   -32.6   1 50.475 ? 28  LYS   A CG   1 ? 2 
ATOM   2050 C CD   . LYS   B 1 16  ? -9.115  2.471   -31.257 1 50.795 ? 28  LYS   A CD   1 ? 2 
ATOM   2051 C CE   . LYS   B 1 16  ? -8.776  3.631   -30.397 1 57.167 ? 28  LYS   A CE   1 ? 2 
ATOM   2052 N NZ   . LYS   B 1 16  ? -9.676  3.754   -29.253 1 57.46  ? 28  LYS   A NZ   1 ? 2 
ATOM   2053 H H    . LYS   B 1 16  ? -10.77  0.21    -34.136 1 46.015 ? 28  LYS   A H    1 c 2 
ATOM   2054 H HA   . LYS   B 1 16  ? -10.314 2.699   -35.196 1 50.325 ? 28  LYS   A HA   1 c 2 
ATOM   2055 H HB2  . LYS   B 1 16  ? -8.778  1.171   -33.345 1 47.267 ? 28  LYS   A HB2  1 c 2 
ATOM   2056 H HB3  . LYS   B 1 16  ? -8.198  2.526   -33.924 1 50.28  ? 28  LYS   A HB3  1 c 2 
ATOM   2057 H HG2  . LYS   B 1 16  ? -9.633  3.793   -32.769 1 52.717 ? 28  LYS   A HG2  1 c 2 
ATOM   2058 H HG3  . LYS   B 1 16  ? -10.686 2.601   -32.6   1 50.163 ? 28  LYS   A HG3  1 c 2 
ATOM   2059 H HD2  . LYS   B 1 16  ? -9.743  1.892   -30.773 1 49.953 ? 28  LYS   A HD2  1 c 2 
ATOM   2060 H HD3  . LYS   B 1 16  ? -8.298  1.948   -31.411 1 50.662 ? 28  LYS   A HD3  1 c 2 
ATOM   2061 H HE2  . LYS   B 1 16  ? -7.865  3.526   -30.067 1 55.931 ? 28  LYS   A HE2  1 c 2 
ATOM   2062 H HE3  . LYS   B 1 16  ? -8.812  4.454   -30.915 1 58.162 ? 28  LYS   A HE3  1 c 2 
ATOM   2063 H HZ1  . LYS   B 1 16  ? -9.559  3.052   -28.693 1 55.497 ? 28  LYS   A HZ1  1 c 2 
ATOM   2064 H HZ2  . LYS   B 1 16  ? -10.536 3.767   -29.539 1 57.268 ? 28  LYS   A HZ2  1 c 2 
ATOM   2065 H HZ3  . LYS   B 1 16  ? -9.5    4.523   -28.808 1 58.494 ? 28  LYS   A HZ3  1 c 2 
ATOM   2066 N N    . LYS   B 1 17  ? -8.941  0.344   -36.661 1 43.318 ? 29  LYS   A N    1 ? 2 
ATOM   2067 C CA   . LYS   B 1 17  ? -7.999  -0.107  -37.683 1 45.022 ? 29  LYS   A CA   1 ? 2 
ATOM   2068 C C    . LYS   B 1 17  ? -6.545  0.037   -37.196 1 41.574 ? 29  LYS   A C    1 ? 2 
ATOM   2069 O O    . LYS   B 1 17  ? -5.689  0.614   -37.842 1 45.269 ? 29  LYS   A O    1 ? 2 
ATOM   2070 C CB   . LYS   B 1 17  ? -8.348  0.552   -39.027 1 48.719 ? 29  LYS   A CB   1 ? 2 
ATOM   2071 C CG   . LYS   B 1 17  ? -9.615  0.003   -39.648 1 52.52  ? 29  LYS   A CG   1 ? 2 
ATOM   2072 C CD   . LYS   B 1 17  ? -9.48   -1.348  -40.346 1 58.29  ? 29  LYS   A CD   1 ? 2 
ATOM   2073 C CE   . LYS   B 1 17  ? -10.726 -1.846  -41.063 1 64.331 ? 29  LYS   A CE   1 ? 2 
ATOM   2074 N NZ   . LYS   B 1 17  ? -11.622 -2.539  -40.128 1 65.949 ? 29  LYS   A NZ   1 ? 2 
ATOM   2075 H H    . LYS   B 1 17  ? -9.622  -0.218  -36.43  1 42.538 ? 29  LYS   A H    1 c 2 
ATOM   2076 H HA   . LYS   B 1 17  ? -8.161  -1.075  -37.811 1 43.266 ? 29  LYS   A HA   1 c 2 
ATOM   2077 H HB2  . LYS   B 1 17  ? -8.456  1.518   -38.894 1 50.69  ? 29  LYS   A HB2  1 c 2 
ATOM   2078 H HB3  . LYS   B 1 17  ? -7.607  0.414   -39.654 1 50.65  ? 29  LYS   A HB3  1 c 2 
ATOM   2079 H HG2  . LYS   B 1 17  ? -10.294 -0.075  -38.943 1 51.28  ? 29  LYS   A HG2  1 c 2 
ATOM   2080 H HG3  . LYS   B 1 17  ? -9.946  0.66    -40.299 1 55.044 ? 29  LYS   A HG3  1 c 2 
ATOM   2081 H HD2  . LYS   B 1 17  ? -8.748  -1.286  -40.998 1 59.444 ? 29  LYS   A HD2  1 c 2 
ATOM   2082 H HD3  . LYS   B 1 17  ? -9.215  -2.016  -39.678 1 55.729 ? 29  LYS   A HD3  1 c 2 
ATOM   2083 H HE2  . LYS   B 1 17  ? -11.199 -1.094  -41.461 1 65.741 ? 29  LYS   A HE2  1 c 2 
ATOM   2084 H HE3  . LYS   B 1 17  ? -10.471 -2.46   -41.775 1 64.859 ? 29  LYS   A HE3  1 c 2 
ATOM   2085 H HZ1  . LYS   B 1 17  ? -11.817 -1.995  -39.43  1 63.765 ? 29  LYS   A HZ1  1 c 2 
ATOM   2086 H HZ2  . LYS   B 1 17  ? -11.222 -3.29   -39.818 1 63.102 ? 29  LYS   A HZ2  1 c 2 
ATOM   2087 H HZ3  . LYS   B 1 17  ? -12.391 -2.765  -40.552 1 65.161 ? 29  LYS   A HZ3  1 c 2 
ATOM   2088 N N    . ASP   B 1 18  ? -6.232  -0.583  -36.075 1 37.097 ? 30  ASP   A N    1 ? 2 
ATOM   2089 C CA   . ASP   B 1 18  ? -4.937  -0.417  -35.467 1 36.1   ? 30  ASP   A CA   1 ? 2 
ATOM   2090 C C    . ASP   B 1 18  ? -4.207  -1.761  -35.408 1 36.357 ? 30  ASP   A C    1 ? 2 
ATOM   2091 O O    . ASP   B 1 18  ? -3.247  -1.906  -34.646 1 34.088 ? 30  ASP   A O    1 ? 2 
ATOM   2092 C CB   . ASP   B 1 18  ? -5.124  0.248   -34.124 1 34.43  ? 30  ASP   A CB   1 ? 2 
ATOM   2093 C CG   . ASP   B 1 18  ? -5.908  -0.557  -33.098 1 30.78  ? 30  ASP   A CG   1 ? 2 
ATOM   2094 O OD1  . ASP   B 1 18  ? -6.263  -1.716  -33.391 1 28.086 ? 30  ASP   A OD1  1 ? 2 
ATOM   2095 O OD2  . ASP   B 1 18  ? -6.113  -0.015  -32.007 1 29.702 ? 30  ASP   A OD2  1 ? 2 
ATOM   2096 H H    . ASP   B 1 18  ? -6.846  -1.128  -35.672 1 35.772 ? 30  ASP   A H    1 c 2 
ATOM   2097 H HA   . ASP   B 1 18  ? -4.407  0.197   -36.023 1 38.518 ? 30  ASP   A HA   1 c 2 
ATOM   2098 H HB2  . ASP   B 1 18  ? -4.242  0.445   -33.746 1 34.727 ? 30  ASP   A HB2  1 c 2 
ATOM   2099 H HB3  . ASP   B 1 18  ? -5.589  1.1     -34.259 1 35.657 ? 30  ASP   A HB3  1 c 2 
ATOM   2100 N N    . ARG   B 1 19  ? -4.678  -2.732  -36.219 1 38.187 ? 31  ARG   A N    1 ? 2 
ATOM   2101 C CA   . ARG   B 1 19  ? -4.099  -4.069  -36.34  1 37.161 ? 31  ARG   A CA   1 ? 2 
ATOM   2102 C C    . ARG   B 1 19  ? -3.956  -4.792  -34.99  1 35.547 ? 31  ARG   A C    1 ? 2 
ATOM   2103 O O    . ARG   B 1 19  ? -3.116  -5.683  -34.832 1 42.529 ? 31  ARG   A O    1 ? 2 
ATOM   2104 C CB   . ARG   B 1 19  ? -2.769  -3.992  -37.099 1 36.469 ? 31  ARG   A CB   1 ? 2 
ATOM   2105 C CG   . ARG   B 1 19  ? -2.909  -3.556  -38.549 1 39.283 ? 31  ARG   A CG   1 ? 2 
ATOM   2106 C CD   . ARG   B 1 19  ? -1.604  -3.616  -39.311 1 40.508 ? 31  ARG   A CD   1 ? 2 
ATOM   2107 N NE   . ARG   B 1 19  ? -0.83   -4.845  -39.077 1 39.031 ? 31  ARG   A NE   1 ? 2 
ATOM   2108 C CZ   . ARG   B 1 19  ? -1.042  -6.008  -39.68  1 39.152 ? 31  ARG   A CZ   1 ? 2 
ATOM   2109 N NH1  . ARG   B 1 19  ? -1.988  -6.103  -40.608 1 40.52  ? 31  ARG   A NH1  1 ? 2 
ATOM   2110 N NH2  . ARG   B 1 19  ? -0.287  -7.067  -39.41  1 38.721 ? 31  ARG   A NH2  1 ? 2 
ATOM   2111 H H    . ARG   B 1 19  ? -5.405  -2.541  -36.738 1 38.187 ? 31  ARG   A H    1 c 2 
ATOM   2112 H HA   . ARG   B 1 19  ? -4.715  -4.607  -36.898 1 36.819 ? 31  ARG   A HA   1 c 2 
ATOM   2113 H HB2  . ARG   B 1 19  ? -2.175  -3.363  -36.637 1 37.508 ? 31  ARG   A HB2  1 c 2 
ATOM   2114 H HB3  . ARG   B 1 19  ? -2.343  -4.875  -37.076 1 36.656 ? 31  ARG   A HB3  1 c 2 
ATOM   2115 H HG2  . ARG   B 1 19  ? -3.565  -4.134  -38.996 1 38.797 ? 31  ARG   A HG2  1 c 2 
ATOM   2116 H HG3  . ARG   B 1 19  ? -3.251  -2.636  -38.576 1 39.761 ? 31  ARG   A HG3  1 c 2 
ATOM   2117 H HD2  . ARG   B 1 19  ? -1.794  -3.535  -40.268 1 42.51  ? 31  ARG   A HD2  1 c 2 
ATOM   2118 H HD3  . ARG   B 1 19  ? -1.059  -2.845  -39.053 1 41.448 ? 31  ARG   A HD3  1 c 2 
ATOM   2119 H HE   . ARG   B 1 19  ? -0.181  -4.808  -38.496 1 38.713 ? 31  ARG   A HE   1 c 2 
ATOM   2120 H HH11 . ARG   B 1 19  ? -2.827  -5.901  -40.405 1 39.433 ? 31  ARG   A HH11 1 c 2 
ATOM   2121 H HH12 . ARG   B 1 19  ? -1.774  -6.372  -41.425 1 42.244 ? 31  ARG   A HH12 1 c 2 
ATOM   2122 H HH21 . ARG   B 1 19  ? 0.412   -6.987  -38.875 1 38.418 ? 31  ARG   A HH21 1 c 2 
ATOM   2123 H HH22 . ARG   B 1 19  ? -0.486  -7.851  -39.768 1 38.881 ? 31  ARG   A HH22 1 c 2 
ATOM   2124 N N    . GLY   B 1 20  ? -4.798  -4.474  -34.022 1 33.276 ? 32  GLY   A N    1 ? 2 
ATOM   2125 C CA   . GLY   B 1 20  ? -4.636  -5.016  -32.676 1 31.835 ? 32  GLY   A CA   1 ? 2 
ATOM   2126 C C    . GLY   B 1 20  ? -5.375  -6.336  -32.482 1 28.91  ? 32  GLY   A C    1 ? 2 
ATOM   2127 O O    . GLY   B 1 20  ? -5.189  -6.984  -31.477 1 29.747 ? 32  GLY   A O    1 ? 2 
ATOM   2128 H H    . GLY   B 1 20  ? -5.503  -3.919  -34.194 1 33.891 ? 32  GLY   A H    1 c 2 
ATOM   2129 H HA2  . GLY   B 1 20  ? -3.681  -5.152  -32.495 1 31.757 ? 32  GLY   A HA2  1 c 2 
ATOM   2130 H HA3  . GLY   B 1 20  ? -4.974  -4.357  -32.026 1 31.116 ? 32  GLY   A HA3  1 c 2 
ATOM   2131 N N    . VAL   B 1 21  ? -6.228  -6.708  -33.438 1 27.953 ? 33  VAL   A N    1 ? 2 
ATOM   2132 C CA   . VAL   B 1 21  ? -6.877  -8.002  -33.458 1 26.597 ? 33  VAL   A CA   1 ? 2 
ATOM   2133 C C    . VAL   B 1 21  ? -7.021  -8.39   -34.933 1 28.287 ? 33  VAL   A C    1 ? 2 
ATOM   2134 O O    . VAL   B 1 21  ? -7.768  -7.764  -35.691 1 27.377 ? 33  VAL   A O    1 ? 2 
ATOM   2135 C CB   . VAL   B 1 21  ? -8.253  -8.028  -32.757 1 26.513 ? 33  VAL   A CB   1 ? 2 
ATOM   2136 C CG1  . VAL   B 1 21  ? -8.807  -9.436  -32.627 1 24.964 ? 33  VAL   A CG1  1 ? 2 
ATOM   2137 C CG2  . VAL   B 1 21  ? -8.272  -7.309  -31.407 1 25.551 ? 33  VAL   A CG2  1 ? 2 
ATOM   2138 H H    . VAL   B 1 21  ? -6.423  -6.118  -34.108 1 29.294 ? 33  VAL   A H    1 c 2 
ATOM   2139 H HA   . VAL   B 1 21  ? -6.294  -8.648  -33.018 1 26.436 ? 33  VAL   A HA   1 c 2 
ATOM   2140 H HB   . VAL   B 1 21  ? -8.875  -7.536  -33.343 1 26.846 ? 33  VAL   A HB   1 c 2 
ATOM   2141 H HG11 . VAL   B 1 21  ? -8.149  -10.005 -32.193 1 24.84  ? 33  VAL   A HG11 1 c 2 
ATOM   2142 H HG12 . VAL   B 1 21  ? -9.008  -9.79   -33.509 1 26.129 ? 33  VAL   A HG12 1 c 2 
ATOM   2143 H HG13 . VAL   B 1 21  ? -9.619  -9.418  -32.093 1 24.67  ? 33  VAL   A HG13 1 c 2 
ATOM   2144 H HG21 . VAL   B 1 21  ? -9.152  -7.397  -31.005 1 25.055 ? 33  VAL   A HG21 1 c 2 
ATOM   2145 H HG22 . VAL   B 1 21  ? -8.069  -6.368  -31.536 1 26.18  ? 33  VAL   A HG22 1 c 2 
ATOM   2146 H HG23 . VAL   B 1 21  ? -7.608  -7.706  -30.819 1 25.017 ? 33  VAL   A HG23 1 c 2 
ATOM   2147 N N    . LEU   B 1 22  ? -6.253  -9.418  -35.321 1 29.961 ? 34  LEU   A N    1 ? 2 
ATOM   2148 C CA   . LEU   B 1 22  ? -6.222  -9.916  -36.674 1 32.692 ? 34  LEU   A CA   1 ? 2 
ATOM   2149 C C    . LEU   B 1 22  ? -6.847  -11.296 -36.68  1 30.467 ? 34  LEU   A C    1 ? 2 
ATOM   2150 O O    . LEU   B 1 22  ? -6.628  -12.048 -35.74  1 28.073 ? 34  LEU   A O    1 ? 2 
ATOM   2151 C CB   . LEU   B 1 22  ? -4.761  -9.93   -37.111 1 37.734 ? 34  LEU   A CB   1 ? 2 
ATOM   2152 C CG   . LEU   B 1 22  ? -4.076  -8.558  -37.161 1 38.776 ? 34  LEU   A CG   1 ? 2 
ATOM   2153 C CD1  . LEU   B 1 22  ? -2.566  -8.678  -37.232 1 40.452 ? 34  LEU   A CD1  1 ? 2 
ATOM   2154 C CD2  . LEU   B 1 22  ? -4.586  -7.77   -38.355 1 39.383 ? 34  LEU   A CD2  1 ? 2 
ATOM   2155 H H    . LEU   B 1 22  ? -5.722  -9.827  -34.7   1 29.172 ? 34  LEU   A H    1 c 2 
ATOM   2156 H HA   . LEU   B 1 22  ? -6.74   -9.31   -37.256 1 33.509 ? 34  LEU   A HA   1 c 2 
ATOM   2157 H HB2  . LEU   B 1 22  ? -4.259  -10.506 -36.489 1 36.137 ? 34  LEU   A HB2  1 c 2 
ATOM   2158 H HB3  . LEU   B 1 22  ? -4.711  -10.337 -38.007 1 38.438 ? 34  LEU   A HB3  1 c 2 
ATOM   2159 H HG   . LEU   B 1 22  ? -4.31   -8.061  -36.336 1 37.207 ? 34  LEU   A HG   1 c 2 
ATOM   2160 H HD11 . LEU   B 1 22  ? -2.24   -9.148  -36.447 1 39.11  ? 34  LEU   A HD11 1 c 2 
ATOM   2161 H HD12 . LEU   B 1 22  ? -2.171  -7.79   -37.265 1 40.966 ? 34  LEU   A HD12 1 c 2 
ATOM   2162 H HD13 . LEU   B 1 22  ? -2.316  -9.172  -38.031 1 41.758 ? 34  LEU   A HD13 1 c 2 
ATOM   2163 H HD21 . LEU   B 1 22  ? -5.538  -7.607  -38.255 1 39.098 ? 34  LEU   A HD21 1 c 2 
ATOM   2164 H HD22 . LEU   B 1 22  ? -4.428  -8.275  -39.17  1 41.227 ? 34  LEU   A HD22 1 c 2 
ATOM   2165 H HD23 . LEU   B 1 22  ? -4.118  -6.92   -38.407 1 40.566 ? 34  LEU   A HD23 1 c 2 
ATOM   2166 N N    . LYS   B 1 23  ? -7.541  -11.633 -37.777 1 30.742 ? 35  LYS   A N    1 ? 2 
ATOM   2167 C CA   . LYS   B 1 23  ? -8.274  -12.879 -37.85  1 29.742 ? 35  LYS   A CA   1 ? 2 
ATOM   2168 C C    . LYS   B 1 23  ? -8.131  -13.514 -39.212 1 33.512 ? 35  LYS   A C    1 ? 2 
ATOM   2169 O O    . LYS   B 1 23  ? -8.16   -12.829 -40.225 1 36.102 ? 35  LYS   A O    1 ? 2 
ATOM   2170 C CB   . LYS   B 1 23  ? -9.758  -12.607 -37.673 1 29.096 ? 35  LYS   A CB   1 ? 2 
ATOM   2171 C CG   . LYS   B 1 23  ? -10.716 -13.787 -37.812 1 29.692 ? 35  LYS   A CG   1 ? 2 
ATOM   2172 C CD   . LYS   B 1 23  ? -12.169 -13.422 -37.544 1 28.559 ? 35  LYS   A CD   1 ? 2 
ATOM   2173 C CE   . LYS   B 1 23  ? -13.166 -14.526 -37.749 1 30.127 ? 35  LYS   A CE   1 ? 2 
ATOM   2174 N NZ   . LYS   B 1 23  ? -14.523 -14.071 -38.142 1 31.246 ? 35  LYS   A NZ   1 ? 2 
ATOM   2175 H H    . LYS   B 1 23  ? -7.552  -11.069 -38.496 1 32.01  ? 35  LYS   A H    1 c 2 
ATOM   2176 H HA   . LYS   B 1 23  ? -7.945  -13.495 -37.153 1 29.344 ? 35  LYS   A HA   1 c 2 
ATOM   2177 H HB2  . LYS   B 1 23  ? -9.889  -12.216 -36.783 1 27.546 ? 35  LYS   A HB2  1 c 2 
ATOM   2178 H HB3  . LYS   B 1 23  ? -10.021 -11.926 -38.329 1 30.042 ? 35  LYS   A HB3  1 c 2 
ATOM   2179 H HG2  . LYS   B 1 23  ? -10.642 -14.148 -38.722 1 31.316 ? 35  LYS   A HG2  1 c 2 
ATOM   2180 H HG3  . LYS   B 1 23  ? -10.441 -14.49  -37.185 1 28.874 ? 35  LYS   A HG3  1 c 2 
ATOM   2181 H HD2  . LYS   B 1 23  ? -12.24  -13.103 -36.618 1 27.253 ? 35  LYS   A HD2  1 c 2 
ATOM   2182 H HD3  . LYS   B 1 23  ? -12.41  -12.67  -38.127 1 29.553 ? 35  LYS   A HD3  1 c 2 
ATOM   2183 H HE2  . LYS   B 1 23  ? -12.829 -15.126 -38.437 1 31.565 ? 35  LYS   A HE2  1 c 2 
ATOM   2184 H HE3  . LYS   B 1 23  ? -13.24  -15.038 -36.923 1 29.108 ? 35  LYS   A HE3  1 c 2 
ATOM   2185 H HZ1  . LYS   B 1 23  ? -14.47  -13.55  -38.882 1 32.159 ? 35  LYS   A HZ1  1 c 2 
ATOM   2186 H HZ2  . LYS   B 1 23  ? -14.892 -13.595 -37.467 1 29.977 ? 35  LYS   A HZ2  1 c 2 
ATOM   2187 H HZ3  . LYS   B 1 23  ? -15.046 -14.789 -38.321 1 32.07  ? 35  LYS   A HZ3  1 c 2 
ATOM   2188 N N    . ILE   B 1 24  ? -7.943  -14.836 -39.198 1 36.18  ? 36  ILE   A N    1 ? 2 
ATOM   2189 C CA   . ILE   B 1 24  ? -8.133  -15.678 -40.361 1 38.412 ? 36  ILE   A CA   1 ? 2 
ATOM   2190 C C    . ILE   B 1 24  ? -9.099  -16.755 -39.929 1 39.492 ? 36  ILE   A C    1 ? 2 
ATOM   2191 O O    . ILE   B 1 24  ? -8.902  -17.411 -38.894 1 39.429 ? 36  ILE   A O    1 ? 2 
ATOM   2192 C CB   . ILE   B 1 24  ? -6.855  -16.355 -40.864 1 41.313 ? 36  ILE   A CB   1 ? 2 
ATOM   2193 C CG1  . ILE   B 1 24  ? -5.721  -15.393 -41     1 42.408 ? 36  ILE   A CG1  1 ? 2 
ATOM   2194 C CG2  . ILE   B 1 24  ? -7.089  -17.106 -42.186 1 43.879 ? 36  ILE   A CG2  1 ? 2 
ATOM   2195 C CD1  . ILE   B 1 24  ? -4.476  -16.053 -41.581 1 45.612 ? 36  ILE   A CD1  1 ? 2 
ATOM   2196 H H    . ILE   B 1 24  ? -7.673  -15.232 -38.42  1 34.399 ? 36  ILE   A H    1 c 2 
ATOM   2197 H HA   . ILE   B 1 24  ? -8.527  -15.152 -41.083 1 39.989 ? 36  ILE   A HA   1 c 2 
ATOM   2198 H HB   . ILE   B 1 24  ? -6.593  -17.017 -40.193 1 40.407 ? 36  ILE   A HB   1 c 2 
ATOM   2199 H HG12 . ILE   B 1 24  ? -5.995  -14.658 -41.585 1 43.069 ? 36  ILE   A HG12 1 c 2 
ATOM   2200 H HG13 . ILE   B 1 24  ? -5.506  -15.021 -40.12  1 40.351 ? 36  ILE   A HG13 1 c 2 
ATOM   2201 H HG21 . ILE   B 1 24  ? -6.381  -17.759 -42.321 1 45.378 ? 36  ILE   A HG21 1 c 2 
ATOM   2202 H HG22 . ILE   B 1 24  ? -7.087  -16.473 -42.924 1 45.355 ? 36  ILE   A HG22 1 c 2 
ATOM   2203 H HG23 . ILE   B 1 24  ? -7.944  -17.563 -42.158 1 44.283 ? 36  ILE   A HG23 1 c 2 
ATOM   2204 H HD11 . ILE   B 1 24  ? -4.319  -16.905 -41.131 1 45.142 ? 36  ILE   A HD11 1 c 2 
ATOM   2205 H HD12 . ILE   B 1 24  ? -3.706  -15.47  -41.446 1 45.171 ? 36  ILE   A HD12 1 c 2 
ATOM   2206 H HD13 . ILE   B 1 24  ? -4.597  -16.209 -42.536 1 47.612 ? 36  ILE   A HD13 1 c 2 
ATOM   2207 N N    . VAL   B 1 25  ? -10.103 -16.927 -40.781 1 41.136 ? 37  VAL   A N    1 ? 2 
ATOM   2208 C CA   . VAL   B 1 25  ? -11.025 -18.029 -40.684 1 42.705 ? 37  VAL   A CA   1 ? 2 
ATOM   2209 C C    . VAL   B 1 25  ? -10.267 -19.269 -41.139 1 46.98  ? 37  VAL   A C    1 ? 2 
ATOM   2210 O O    . VAL   B 1 25  ? -9.681  -19.302 -42.228 1 52.19  ? 37  VAL   A O    1 ? 2 
ATOM   2211 C CB   . VAL   B 1 25  ? -12.254 -17.685 -41.55  1 44.051 ? 37  VAL   A CB   1 ? 2 
ATOM   2212 C CG1  . VAL   B 1 25  ? -13.258 -18.826 -41.652 1 45.769 ? 37  VAL   A CG1  1 ? 2 
ATOM   2213 C CG2  . VAL   B 1 25  ? -12.953 -16.435 -41.027 1 41.905 ? 37  VAL   A CG2  1 ? 2 
ATOM   2214 H H    . VAL   B 1 25  ? -10.209 -16.329 -41.464 1 42.259 ? 37  VAL   A H    1 c 2 
ATOM   2215 H HA   . VAL   B 1 25  ? -11.303 -18.136 -39.754 1 41.14  ? 37  VAL   A HA   1 c 2 
ATOM   2216 H HB   . VAL   B 1 25  ? -11.925 -17.491 -42.459 1 45.89  ? 37  VAL   A HB   1 c 2 
ATOM   2217 H HG11 . VAL   B 1 25  ? -13.474 -19.15  -40.761 1 44.321 ? 37  VAL   A HG11 1 c 2 
ATOM   2218 H HG12 . VAL   B 1 25  ? -12.876 -19.551 -42.176 1 47.707 ? 37  VAL   A HG12 1 c 2 
ATOM   2219 H HG13 . VAL   B 1 25  ? -14.068 -18.509 -42.085 1 46.54  ? 37  VAL   A HG13 1 c 2 
ATOM   2220 H HG21 . VAL   B 1 25  ? -13.725 -16.238 -41.584 1 43.082 ? 37  VAL   A HG21 1 c 2 
ATOM   2221 H HG22 . VAL   B 1 25  ? -12.34  -15.682 -41.049 1 41.245 ? 37  VAL   A HG22 1 c 2 
ATOM   2222 H HG23 . VAL   B 1 25  ? -13.246 -16.587 -40.113 1 40.217 ? 37  VAL   A HG23 1 c 2 
ATOM   2223 N N    . LYS   B 1 26  ? -10.236 -20.287 -40.281 1 46.073 ? 38  LYS   A N    1 ? 2 
ATOM   2224 C CA   . LYS   B 1 26  ? -9.623  -21.541 -40.703 1 46.872 ? 38  LYS   A CA   1 ? 2 
ATOM   2225 C C    . LYS   B 1 26  ? -10.717 -22.529 -41.078 1 47.44  ? 38  LYS   A C    1 ? 2 
ATOM   2226 O O    . LYS   B 1 26  ? -10.482 -23.355 -41.922 1 47.204 ? 38  LYS   A O    1 ? 2 
ATOM   2227 C CB   . LYS   B 1 26  ? -8.635  -22.051 -39.647 1 44.741 ? 38  LYS   A CB   1 ? 2 
ATOM   2228 C CG   . LYS   B 1 26  ? -7.586  -21.007 -39.241 1 41.603 ? 38  LYS   A CG   1 ? 2 
ATOM   2229 C CD   . LYS   B 1 26  ? -6.636  -20.542 -40.341 1 40.958 ? 38  LYS   A CD   1 ? 2 
ATOM   2230 C CE   . LYS   B 1 26  ? -5.689  -21.579 -40.663 1 42.736 ? 38  LYS   A CE   1 ? 2 
ATOM   2231 N NZ   . LYS   B 1 26  ? -4.849  -21.156 -41.769 1 45.004 ? 38  LYS   A NZ   1 ? 2 
ATOM   2232 H H    . LYS   B 1 26  ? -10.581 -20.209 -39.439 1 43.916 ? 38  LYS   A H    1 c 2 
ATOM   2233 H HA   . LYS   B 1 26  ? -9.096  -21.363 -41.521 1 48.2   ? 38  LYS   A HA   1 c 2 
ATOM   2234 H HB2  . LYS   B 1 26  ? -9.135  -22.321 -38.848 1 43.552 ? 38  LYS   A HB2  1 c 2 
ATOM   2235 H HB3  . LYS   B 1 26  ? -8.175  -22.843 -39.996 1 46.723 ? 38  LYS   A HB3  1 c 2 
ATOM   2236 H HG2  . LYS   B 1 26  ? -8.056  -20.224 -38.883 1 39.352 ? 38  LYS   A HG2  1 c 2 
ATOM   2237 H HG3  . LYS   B 1 26  ? -7.053  -21.383 -38.507 1 40.477 ? 38  LYS   A HG3  1 c 2 
ATOM   2238 H HD2  . LYS   B 1 26  ? -7.148  -20.308 -41.144 1 42.525 ? 38  LYS   A HD2  1 c 2 
ATOM   2239 H HD3  . LYS   B 1 26  ? -6.151  -19.744 -40.037 1 39.79  ? 38  LYS   A HD3  1 c 2 
ATOM   2240 H HE2  . LYS   B 1 26  ? -5.129  -21.77  -39.889 1 41.878 ? 38  LYS   A HE2  1 c 2 
ATOM   2241 H HE3  . LYS   B 1 26  ? -6.157  -22.394 -40.915 1 44.583 ? 38  LYS   A HE3  1 c 2 
ATOM   2242 H HZ1  . LYS   B 1 26  ? -4.401  -20.401 -41.543 1 43.692 ? 38  LYS   A HZ1  1 c 2 
ATOM   2243 H HZ2  . LYS   B 1 26  ? -5.359  -20.993 -42.5   1 46.21  ? 38  LYS   A HZ2  1 c 2 
ATOM   2244 H HZ3  . LYS   B 1 26  ? -4.252  -21.808 -41.964 1 46.746 ? 38  LYS   A HZ3  1 c 2 
ATOM   2245 N N    . ARG   B 1 27  ? -11.888 -22.439 -40.433 1 47.292 ? 39  ARG   A N    1 ? 2 
ATOM   2246 C CA   . ARG   B 1 27  ? -13.021 -23.261 -40.821 1 50.94  ? 39  ARG   A CA   1 ? 2 
ATOM   2247 C C    . ARG   B 1 27  ? -14.306 -22.432 -40.721 1 50.001 ? 39  ARG   A C    1 ? 2 
ATOM   2248 O O    . ARG   B 1 27  ? -14.657 -21.92  -39.673 1 44.734 ? 39  ARG   A O    1 ? 2 
ATOM   2249 C CB   . ARG   B 1 27  ? -13.157 -24.568 -40.021 1 52.335 ? 39  ARG   A CB   1 ? 2 
ATOM   2250 C CG   . ARG   B 1 27  ? -14.16  -25.56  -40.617 1 56.278 ? 39  ARG   A CG   1 ? 2 
ATOM   2251 C CD   . ARG   B 1 27  ? -14.513 -26.763 -39.726 1 59.183 ? 39  ARG   A CD   1 ? 2 
ATOM   2252 N NE   . ARG   B 1 27  ? -15.078 -26.372 -38.424 1 58.506 ? 39  ARG   A NE   1 ? 2 
ATOM   2253 C CZ   . ARG   B 1 27  ? -15.277 -27.15  -37.347 1 58.707 ? 39  ARG   A CZ   1 ? 2 
ATOM   2254 N NH1  . ARG   B 1 27  ? -14.896 -28.431 -37.365 1 60.219 ? 39  ARG   A NH1  1 ? 2 
ATOM   2255 N NH2  . ARG   B 1 27  ? -15.82  -26.608 -36.256 1 54.106 ? 39  ARG   A NH2  1 ? 2 
ATOM   2256 H H    . ARG   B 1 27  ? -11.98  -21.864 -39.729 1 44.995 ? 39  ARG   A H    1 c 2 
ATOM   2257 H HA   . ARG   B 1 27  ? -12.898 -23.515 -41.77  1 53.25  ? 39  ARG   A HA   1 c 2 
ATOM   2258 H HB2  . ARG   B 1 27  ? -12.278 -25     -39.971 1 52.873 ? 39  ARG   A HB2  1 c 2 
ATOM   2259 H HB3  . ARG   B 1 27  ? -13.435 -24.349 -39.106 1 50.288 ? 39  ARG   A HB3  1 c 2 
ATOM   2260 H HG2  . ARG   B 1 27  ? -14.989 -25.081 -40.832 1 56.357 ? 39  ARG   A HG2  1 c 2 
ATOM   2261 H HG3  . ARG   B 1 27  ? -13.799 -25.898 -41.466 1 58.938 ? 39  ARG   A HG3  1 c 2 
ATOM   2262 H HD2  . ARG   B 1 27  ? -15.158 -27.328 -40.198 1 61.755 ? 39  ARG   A HD2  1 c 2 
ATOM   2263 H HD3  . ARG   B 1 27  ? -13.704 -27.294 -39.577 1 59.889 ? 39  ARG   A HD3  1 c 2 
ATOM   2264 H HE   . ARG   B 1 27  ? -15.317 -25.539 -38.338 1 56.068 ? 39  ARG   A HE   1 c 2 
ATOM   2265 H HH11 . ARG   B 1 27  ? -15.129 -28.95  -38.042 1 63.169 ? 39  ARG   A HH11 1 c 2 
ATOM   2266 H HH12 . ARG   B 1 27  ? -14.415 -28.754 -36.696 1 60.199 ? 39  ARG   A HH12 1 c 2 
ATOM   2267 H HH21 . ARG   B 1 27  ? -15.657 -25.762 -36.056 1 52.484 ? 39  ARG   A HH21 1 c 2 
ATOM   2268 H HH22 . ARG   B 1 27  ? -16.34  -27.099 -35.735 1 55.431 ? 39  ARG   A HH22 1 c 2 
ATOM   2269 N N    . VAL   B 1 28  ? -15.042 -22.408 -41.83  1 54.474 ? 40  VAL   A N    1 ? 2 
ATOM   2270 C CA   . VAL   B 1 28  ? -16.321 -21.741 -41.958 1 55.579 ? 40  VAL   A CA   1 ? 2 
ATOM   2271 C C    . VAL   B 1 28  ? -17.389 -22.429 -41.107 1 56.374 ? 40  VAL   A C    1 ? 2 
ATOM   2272 O O    . VAL   B 1 28  ? -17.442 -23.656 -41.021 1 58.054 ? 40  VAL   A O    1 ? 2 
ATOM   2273 C CB   . VAL   B 1 28  ? -16.69  -21.764 -43.455 1 59.124 ? 40  VAL   A CB   1 ? 2 
ATOM   2274 C CG1  . VAL   B 1 28  ? -18.025 -21.088 -43.692 1 60.844 ? 40  VAL   A CG1  1 ? 2 
ATOM   2275 C CG2  . VAL   B 1 28  ? -15.613 -21.111 -44.312 1 59.889 ? 40  VAL   A CG2  1 ? 2 
ATOM   2276 H H    . VAL   B 1 28  ? -14.725 -22.865 -42.555 1 56.553 ? 40  VAL   A H    1 c 2 
ATOM   2277 H HA   . VAL   B 1 28  ? -16.224 -20.813 -41.667 1 53.396 ? 40  VAL   A HA   1 c 2 
ATOM   2278 H HB   . VAL   B 1 28  ? -16.77  -22.709 -43.725 1 61.677 ? 40  VAL   A HB   1 c 2 
ATOM   2279 H HG11 . VAL   B 1 28  ? -18.071 -20.268 -43.171 1 58.037 ? 40  VAL   A HG11 1 c 2 
ATOM   2280 H HG12 . VAL   B 1 28  ? -18.743 -21.683 -43.422 1 61.217 ? 40  VAL   A HG12 1 c 2 
ATOM   2281 H HG13 . VAL   B 1 28  ? -18.121 -20.876 -44.636 1 62.442 ? 40  VAL   A HG13 1 c 2 
ATOM   2282 H HG21 . VAL   B 1 28  ? -15.969 -20.922 -45.196 1 61.942 ? 40  VAL   A HG21 1 c 2 
ATOM   2283 H HG22 . VAL   B 1 28  ? -14.852 -21.71  -44.394 1 60.631 ? 40  VAL   A HG22 1 c 2 
ATOM   2284 H HG23 . VAL   B 1 28  ? -15.326 -20.281 -43.895 1 57.483 ? 40  VAL   A HG23 1 c 2 
ATOM   2285 N N    . GLY   B 1 29  ? -18.251 -21.613 -40.496 1 56.164 ? 41  GLY   A N    1 ? 2 
ATOM   2286 C CA   . GLY   B 1 29  ? -19.366 -22.114 -39.706 1 58.278 ? 41  GLY   A CA   1 ? 2 
ATOM   2287 C C    . GLY   B 1 29  ? -20.64  -22.209 -40.541 1 62.14  ? 41  GLY   A C    1 ? 2 
ATOM   2288 O O    . GLY   B 1 29  ? -20.585 -22.377 -41.756 1 63.269 ? 41  GLY   A O    1 ? 2 
ATOM   2289 H H    . GLY   B 1 29  ? -18.143 -20.709 -40.575 1 54.806 ? 41  GLY   A H    1 c 2 
ATOM   2290 H HA2  . GLY   B 1 29  ? -19.139 -23.003 -39.346 1 58.614 ? 41  GLY   A HA2  1 c 2 
ATOM   2291 H HA3  . GLY   B 1 29  ? -19.516 -21.507 -38.944 1 55.767 ? 41  GLY   A HA3  1 c 2 
ATOM   2292 N N    . ASN   B 1 30  ? -21.794 -22.08  -39.875 1 65.257 ? 42  ASN   A N    1 ? 2 
ATOM   2293 C CA   . ASN   B 1 30  ? -23.074 -22.085 -40.571 1 70.86  ? 42  ASN   A CA   1 ? 2 
ATOM   2294 C C    . ASN   B 1 30  ? -23.948 -20.909 -40.162 1 69.399 ? 42  ASN   A C    1 ? 2 
ATOM   2295 O O    . ASN   B 1 30  ? -23.76  -20.298 -39.102 1 67.023 ? 42  ASN   A O    1 ? 2 
ATOM   2296 C CB   . ASN   B 1 30  ? -23.896 -23.331 -40.282 1 75.423 ? 42  ASN   A CB   1 ? 2 
ATOM   2297 C CG   . ASN   B 1 30  ? -23.06  -24.574 -40.421 1 77.91  ? 42  ASN   A CG   1 ? 2 
ATOM   2298 O OD1  . ASN   B 1 30  ? -22.564 -25.071 -39.409 1 74.59  ? 42  ASN   A OD1  1 ? 2 
ATOM   2299 N ND2  . ASN   B 1 30  ? -22.851 -25.05  -41.645 1 84.065 ? 42  ASN   A ND2  1 ? 2 
ATOM   2300 H H    . ASN   B 1 30  ? -21.785 -21.988 -38.966 1 63.182 ? 42  ASN   A H    1 c 2 
ATOM   2301 H HA   . ASN   B 1 30  ? -22.914 -22.045 -41.541 1 72.187 ? 42  ASN   A HA   1 c 2 
ATOM   2302 H HB2  . ASN   B 1 30  ? -24.253 -23.282 -39.373 1 73.901 ? 42  ASN   A HB2  1 c 2 
ATOM   2303 H HB3  . ASN   B 1 30  ? -24.648 -23.376 -40.905 1 77.373 ? 42  ASN   A HB3  1 c 2 
ATOM   2304 H HD21 . ASN   B 1 30  ? -22.354 -25.776 -41.758 1 84.281 ? 42  ASN   A HD21 1 c 2 
ATOM   2305 H HD22 . ASN   B 1 30  ? -23.208 -24.642 -42.347 1 84.085 ? 42  ASN   A HD22 1 c 2 
ATOM   2306 N N    . GLY   B 1 31  ? -24.932 -20.652 -41.029 1 70.405 ? 43  GLY   A N    1 ? 2 
ATOM   2307 C CA   . GLY   B 1 31  ? -25.848 -19.542 -40.846 1 69.885 ? 43  GLY   A CA   1 ? 2 
ATOM   2308 C C    . GLY   B 1 31  ? -25.21  -18.236 -41.292 1 66.595 ? 43  GLY   A C    1 ? 2 
ATOM   2309 O O    . GLY   B 1 31  ? -24.051 -18.203 -41.691 1 65.476 ? 43  GLY   A O    1 ? 2 
ATOM   2310 H H    . GLY   B 1 31  ? -25.036 -21.188 -41.762 1 73.237 ? 43  GLY   A H    1 c 2 
ATOM   2311 H HA2  . GLY   B 1 31  ? -26.666 -19.708 -41.37  1 71.886 ? 43  GLY   A HA2  1 c 2 
ATOM   2312 H HA3  . GLY   B 1 31  ? -26.101 -19.481 -39.894 1 68.04  ? 43  GLY   A HA3  1 c 2 
ATOM   2313 N N    . GLU   B 1 32  ? -26.015 -17.176 -41.291 1 66.653 ? 44  GLU   A N    1 ? 2 
ATOM   2314 C CA   . GLU   B 1 32  ? -25.475 -15.83  -41.266 1 61.584 ? 44  GLU   A CA   1 ? 2 
ATOM   2315 C C    . GLU   B 1 32  ? -25.223 -15.477 -39.795 1 55.141 ? 44  GLU   A C    1 ? 2 
ATOM   2316 O O    . GLU   B 1 32  ? -24.296 -14.743 -39.487 1 50.403 ? 44  GLU   A O    1 ? 2 
ATOM   2317 C CB   . GLU   B 1 32  ? -26.439 -14.912 -42.03  1 63.999 ? 44  GLU   A CB   1 ? 2 
ATOM   2318 C CG   . GLU   B 1 32  ? -26.65  -15.181 -43.527 1 66.751 ? 44  GLU   A CG   1 ? 2 
ATOM   2319 C CD   . GLU   B 1 32  ? -27.751 -14.286 -44.15  1 69.667 ? 44  GLU   A CD   1 ? 2 
ATOM   2320 O OE1  . GLU   B 1 32  ? -28.832 -14.749 -44.608 1 68.312 ? 44  GLU   A OE1  1 ? 2 
ATOM   2321 O OE2  . GLU   B 1 32  ? -27.536 -13.053 -44.167 1 70.758 ? 44  GLU   A OE2  1 ? 2 
ATOM   2322 H H    . GLU   B 1 32  ? -26.921 -17.293 -41.313 1 67.322 ? 44  GLU   A H    1 c 2 
ATOM   2323 H HA   . GLU   B 1 32  ? -24.606 -15.831 -41.742 1 61.442 ? 44  GLU   A HA   1 c 2 
ATOM   2324 H HB2  . GLU   B 1 32  ? -27.316 -14.967 -41.598 1 64.193 ? 44  GLU   A HB2  1 c 2 
ATOM   2325 H HB3  . GLU   B 1 32  ? -26.123 -13.989 -41.936 1 62.499 ? 44  GLU   A HB3  1 c 2 
ATOM   2326 H HG2  . GLU   B 1 32  ? -25.808 -15.023 -44.006 1 66.887 ? 44  GLU   A HG2  1 c 2 
ATOM   2327 H HG3  . GLU   B 1 32  ? -26.899 -16.121 -43.654 1 68.496 ? 44  GLU   A HG3  1 c 2 
ATOM   2328 N N    . GLU   B 1 33  ? -25.996 -16.081 -38.877 1 54.882 ? 45  GLU   A N    1 ? 2 
ATOM   2329 C CA   . GLU   B 1 33  ? -26.127 -15.587 -37.515 1 53.882 ? 45  GLU   A CA   1 ? 2 
ATOM   2330 C C    . GLU   B 1 33  ? -24.746 -15.58  -36.878 1 48.708 ? 45  GLU   A C    1 ? 2 
ATOM   2331 O O    . GLU   B 1 33  ? -23.986 -16.524 -37.033 1 46.886 ? 45  GLU   A O    1 ? 2 
ATOM   2332 C CB   . GLU   B 1 33  ? -27.036 -16.373 -36.557 1 58.569 ? 45  GLU   A CB   1 ? 2 
ATOM   2333 C CG   . GLU   B 1 33  ? -28.223 -17.05  -37.244 1 69.013 ? 45  GLU   A CG   1 ? 2 
ATOM   2334 C CD   . GLU   B 1 33  ? -29.477 -17.326 -36.423 1 71.556 ? 45  GLU   A CD   1 ? 2 
ATOM   2335 O OE1  . GLU   B 1 33  ? -29.963 -16.416 -35.695 1 72.313 ? 45  GLU   A OE1  1 ? 2 
ATOM   2336 O OE2  . GLU   B 1 33  ? -29.982 -18.46  -36.568 1 69.907 ? 45  GLU   A OE2  1 ? 2 
ATOM   2337 H H    . GLU   B 1 33  ? -26.451 -16.838 -39.11  1 57.292 ? 45  GLU   A H    1 c 2 
ATOM   2338 H HA   . GLU   B 1 33  ? -26.453 -14.658 -37.562 1 53.644 ? 45  GLU   A HA   1 c 2 
ATOM   2339 H HB2  . GLU   B 1 33  ? -26.504 -17.063 -36.109 1 58.17  ? 45  GLU   A HB2  1 c 2 
ATOM   2340 H HB3  . GLU   B 1 33  ? -27.371 -15.761 -35.869 1 58.171 ? 45  GLU   A HB3  1 c 2 
ATOM   2341 H HG2  . GLU   B 1 33  ? -28.488 -16.501 -38.012 1 68.326 ? 45  GLU   A HG2  1 c 2 
ATOM   2342 H HG3  . GLU   B 1 33  ? -27.915 -17.906 -37.611 1 68.34  ? 45  GLU   A HG3  1 c 2 
ATOM   2343 N N    . THR   B 1 34  ? -24.455 -14.482 -36.184 1 44.892 ? 46  THR   A N    1 ? 2 
ATOM   2344 C CA   . THR   B 1 34  ? -23.345 -14.395 -35.262 1 40.783 ? 46  THR   A CA   1 ? 2 
ATOM   2345 C C    . THR   B 1 34  ? -23.868 -13.801 -33.971 1 39.123 ? 46  THR   A C    1 ? 2 
ATOM   2346 O O    . THR   B 1 34  ? -24.838 -13.045 -34.01  1 41.899 ? 46  THR   A O    1 ? 2 
ATOM   2347 C CB   . THR   B 1 34  ? -22.268 -13.513 -35.871 1 38.437 ? 46  THR   A CB   1 ? 2 
ATOM   2348 O OG1  . THR   B 1 34  ? -22.895 -12.241 -35.896 1 37.396 ? 46  THR   A OG1  1 ? 2 
ATOM   2349 C CG2  . THR   B 1 34  ? -21.886 -13.981 -37.258 1 40.496 ? 46  THR   A CG2  1 ? 2 
ATOM   2350 H H    . THR   B 1 34  ? -24.979 -13.742 -36.298 1 45.384 ? 46  THR   A H    1 c 2 
ATOM   2351 H HA   . THR   B 1 34  ? -22.984 -15.292 -35.095 1 40.702 ? 46  THR   A HA   1 c 2 
ATOM   2352 H HB   . THR   B 1 34  ? -21.467 -13.48  -35.296 1 36.896 ? 46  THR   A HB   1 c 2 
ATOM   2353 H HG1  . THR   B 1 34  ? -23.566 -12.262 -36.429 0 30     ? 46  THR   A HG1  1 c 2 
ATOM   2354 H HG21 . THR   B 1 34  ? -21.019 -13.612 -37.497 1 39.697 ? 46  THR   A HG21 1 c 2 
ATOM   2355 H HG22 . THR   B 1 34  ? -22.552 -13.679 -37.897 1 41.952 ? 46  THR   A HG22 1 c 2 
ATOM   2356 H HG23 . THR   B 1 34  ? -21.839 -14.952 -37.272 1 40.994 ? 46  THR   A HG23 1 c 2 
ATOM   2357 N N    . PRO   B 1 35  ? -23.166 -14.008 -32.835 1 37.32  ? 47  PRO   A N    1 ? 2 
ATOM   2358 C CA   . PRO   B 1 35  ? -23.717 -13.7   -31.519 1 36.221 ? 47  PRO   A CA   1 ? 2 
ATOM   2359 C C    . PRO   B 1 35  ? -23.782 -12.214 -31.244 1 34.616 ? 47  PRO   A C    1 ? 2 
ATOM   2360 O O    . PRO   B 1 35  ? -22.965 -11.467 -31.737 1 35.345 ? 47  PRO   A O    1 ? 2 
ATOM   2361 C CB   . PRO   B 1 35  ? -22.768 -14.356 -30.542 1 35.237 ? 47  PRO   A CB   1 ? 2 
ATOM   2362 C CG   . PRO   B 1 35  ? -21.448 -14.524 -31.297 1 34.026 ? 47  PRO   A CG   1 ? 2 
ATOM   2363 C CD   . PRO   B 1 35  ? -21.766 -14.446 -32.773 1 36.057 ? 47  PRO   A CD   1 ? 2 
ATOM   2364 H HA   . PRO   B 1 35  ? -24.609 -14.095 -31.438 1 37.612 ? 47  PRO   A HA   1 c 2 
ATOM   2365 H HB2  . PRO   B 1 35  ? -22.648 -13.801 -29.749 1 34.092 ? 47  PRO   A HB2  1 c 2 
ATOM   2366 H HB3  . PRO   B 1 35  ? -23.114 -15.224 -30.257 1 35.9   ? 47  PRO   A HB3  1 c 2 
ATOM   2367 H HG2  . PRO   B 1 35  ? -20.821 -13.817 -31.051 1 32.906 ? 47  PRO   A HG2  1 c 2 
ATOM   2368 H HG3  . PRO   B 1 35  ? -21.04  -15.387 -31.085 1 34.199 ? 47  PRO   A HG3  1 c 2 
ATOM   2369 H HD2  . PRO   B 1 35  ? -21.185 -13.802 -33.219 1 35.299 ? 47  PRO   A HD2  1 c 2 
ATOM   2370 H HD3  . PRO   B 1 35  ? -21.661 -15.318 -33.198 1 36.746 ? 47  PRO   A HD3  1 c 2 
ATOM   2371 N N    . MET   B 1 36  ? -24.798 -11.82  -30.496 1 36.166 ? 48  MET   A N    1 ? 2 
ATOM   2372 C CA   . MET   B 1 36  ? -25.01  -10.454 -30.067 1 34.824 ? 48  MET   A CA   1 ? 2 
ATOM   2373 C C    . MET   B 1 36  ? -24.478 -10.295 -28.662 1 31.846 ? 48  MET   A C    1 ? 2 
ATOM   2374 O O    . MET   B 1 36  ? -24.453 -11.263 -27.907 1 31.028 ? 48  MET   A O    1 ? 2 
ATOM   2375 C CB   . MET   B 1 36  ? -26.504 -10.177 -29.943 1 37.308 ? 48  MET   A CB   1 ? 2 
ATOM   2376 C CG   . MET   B 1 36  ? -27.254 -10.356 -31.229 1 40.541 ? 48  MET   A CG   1 ? 2 
ATOM   2377 S SD   . MET   B 1 36  ? -26.693 -9.156  -32.445 1 41.513 ? 48  MET   A SD   1 ? 2 
ATOM   2378 C CE   . MET   B 1 36  ? -27.208 -9.857  -34.019 1 49.198 ? 48  MET   A CE   1 ? 2 
ATOM   2379 H H    . MET   B 1 36  ? -25.412 -12.447 -30.241 1 36.666 ? 48  MET   A H    1 c 2 
ATOM   2380 H HA   . MET   B 1 36  ? -24.572 -9.82   -30.69  1 34.498 ? 48  MET   A HA   1 c 2 
ATOM   2381 H HB2  . MET   B 1 36  ? -26.881 -10.779 -29.267 1 37.898 ? 48  MET   A HB2  1 c 2 
ATOM   2382 H HB3  . MET   B 1 36  ? -26.628 -9.256  -29.628 1 37.594 ? 48  MET   A HB3  1 c 2 
ATOM   2383 H HG2  . MET   B 1 36  ? -27.11  -11.259 -31.576 1 40.496 ? 48  MET   A HG2  1 c 2 
ATOM   2384 H HG3  . MET   B 1 36  ? -28.212 -10.235 -31.074 1 41.864 ? 48  MET   A HG3  1 c 2 
ATOM   2385 H HE1  . MET   B 1 36  ? -26.992 -9.235  -34.737 1 48.095 ? 48  MET   A HE1  1 c 2 
ATOM   2386 H HE2  . MET   B 1 36  ? -26.743 -10.701 -34.167 1 47.161 ? 48  MET   A HE2  1 c 2 
ATOM   2387 H HE3  . MET   B 1 36  ? -28.17  -10.015 -34.004 1 49.212 ? 48  MET   A HE3  1 c 2 
ATOM   2388 N N    . ILE   B 1 37  ? -24.159 -9.06   -28.306 1 30.71  ? 49  ILE   A N    1 ? 2 
ATOM   2389 C CA   . ILE   B 1 37  ? -23.772 -8.776  -26.941 1 32.084 ? 49  ILE   A CA   1 ? 2 
ATOM   2390 C C    . ILE   B 1 37  ? -24.773 -9.443  -25.985 1 33.395 ? 49  ILE   A C    1 ? 2 
ATOM   2391 O O    . ILE   B 1 37  ? -25.985 -9.421  -26.228 1 36.471 ? 49  ILE   A O    1 ? 2 
ATOM   2392 C CB   . ILE   B 1 37  ? -23.733 -7.267  -26.692 1 34.669 ? 49  ILE   A CB   1 ? 2 
ATOM   2393 C CG1  . ILE   B 1 37  ? -22.859 -6.51   -27.704 1 34.797 ? 49  ILE   A CG1  1 ? 2 
ATOM   2394 C CG2  . ILE   B 1 37  ? -23.374 -6.957  -25.235 1 34.057 ? 49  ILE   A CG2  1 ? 2 
ATOM   2395 C CD1  . ILE   B 1 37  ? -21.386 -6.767  -27.596 1 34.546 ? 49  ILE   A CD1  1 ? 2 
ATOM   2396 H H    . ILE   B 1 37  ? -24.199 -8.383  -28.917 1 31.775 ? 49  ILE   A H    1 c 2 
ATOM   2397 H HA   . ILE   B 1 37  ? -22.882 -9.146  -26.782 1 30.841 ? 49  ILE   A HA   1 c 2 
ATOM   2398 H HB   . ILE   B 1 37  ? -24.646 -6.944  -26.827 1 35.672 ? 49  ILE   A HB   1 c 2 
ATOM   2399 H HG12 . ILE   B 1 37  ? -23.143 -6.746  -28.606 1 35.359 ? 49  ILE   A HG12 1 c 2 
ATOM   2400 H HG13 . ILE   B 1 37  ? -23.014 -5.55   -27.589 1 35.651 ? 49  ILE   A HG13 1 c 2 
ATOM   2401 H HG21 . ILE   B 1 37  ? -23.02  -6.054  -25.171 1 34.141 ? 49  ILE   A HG21 1 c 2 
ATOM   2402 H HG22 . ILE   B 1 37  ? -22.703 -7.588  -24.923 1 33.091 ? 49  ILE   A HG22 1 c 2 
ATOM   2403 H HG23 . ILE   B 1 37  ? -24.169 -7.03   -24.68  1 35.276 ? 49  ILE   A HG23 1 c 2 
ATOM   2404 H HD11 . ILE   B 1 37  ? -21.061 -6.465  -26.727 1 33.7   ? 49  ILE   A HD11 1 c 2 
ATOM   2405 H HD12 . ILE   B 1 37  ? -20.92  -6.282  -28.303 1 33.959 ? 49  ILE   A HD12 1 c 2 
ATOM   2406 H HD13 . ILE   B 1 37  ? -21.213 -7.723  -27.693 1 33.462 ? 49  ILE   A HD13 1 c 2 
ATOM   2407 N N    . GLY   B 1 38  ? -24.268 -10.017 -24.889 1 31.269 ? 50  GLY   A N    1 ? 2 
ATOM   2408 C CA   . GLY   B 1 38  ? -25.112 -10.628 -23.878 1 33.376 ? 50  GLY   A CA   1 ? 2 
ATOM   2409 C C    . GLY   B 1 38  ? -25.479 -12.078 -24.22  1 35.749 ? 50  GLY   A C    1 ? 2 
ATOM   2410 O O    . GLY   B 1 38  ? -26.062 -12.769 -23.394 1 39.003 ? 50  GLY   A O    1 ? 2 
ATOM   2411 H H    . GLY   B 1 38  ? -23.362 -10.027 -24.767 1 30.542 ? 50  GLY   A H    1 c 2 
ATOM   2412 H HA2  . GLY   B 1 38  ? -24.639 -10.608 -23.014 1 33.213 ? 50  GLY   A HA2  1 c 2 
ATOM   2413 H HA3  . GLY   B 1 38  ? -25.937 -10.096 -23.781 1 34.867 ? 50  GLY   A HA3  1 c 2 
ATOM   2414 N N    . ASP   B 1 39  ? -25.204 -12.532 -25.454 1 36.299 ? 51  ASP   A N    1 ? 2 
ATOM   2415 C CA   . ASP   B 1 39  ? -25.449 -13.915 -25.836 1 36.7   ? 51  ASP   A CA   1 ? 2 
ATOM   2416 C C    . ASP   B 1 39  ? -24.489 -14.787 -25.041 1 37.341 ? 51  ASP   A C    1 ? 2 
ATOM   2417 O O    . ASP   B 1 39  ? -23.344 -14.365 -24.831 1 34.551 ? 51  ASP   A O    1 ? 2 
ATOM   2418 C CB   . ASP   B 1 39  ? -25.153 -14.165 -27.3   1 35.877 ? 51  ASP   A CB   1 ? 2 
ATOM   2419 C CG   . ASP   B 1 39  ? -26.294 -13.794 -28.233 1 39.242 ? 51  ASP   A CG   1 ? 2 
ATOM   2420 O OD1  . ASP   B 1 39  ? -27.391 -13.5   -27.71  1 40.244 ? 51  ASP   A OD1  1 ? 2 
ATOM   2421 O OD2  . ASP   B 1 39  ? -26.093 -13.827 -29.48  1 40.501 ? 51  ASP   A OD2  1 ? 2 
ATOM   2422 H H    . ASP   B 1 39  ? -24.853 -11.964 -26.077 1 35.099 ? 51  ASP   A H    1 c 2 
ATOM   2423 H HA   . ASP   B 1 39  ? -26.377 -14.153 -25.613 1 38.604 ? 51  ASP   A HA   1 c 2 
ATOM   2424 H HB2  . ASP   B 1 39  ? -24.351 -13.669 -27.563 1 34.958 ? 51  ASP   A HB2  1 c 2 
ATOM   2425 H HB3  . ASP   B 1 39  ? -24.967 -15.12  -27.427 1 36.742 ? 51  ASP   A HB3  1 c 2 
ATOM   2426 N N    . LYS   B 1 40  ? -24.993 -15.952 -24.592 1 38.674 ? 52  LYS   A N    1 ? 2 
ATOM   2427 C CA   . LYS   B 1 40  ? -24.185 -16.977 -23.961 1 38.834 ? 52  LYS   A CA   1 ? 2 
ATOM   2428 C C    . LYS   B 1 40  ? -23.491 -17.776 -25.054 1 36.884 ? 52  LYS   A C    1 ? 2 
ATOM   2429 O O    . LYS   B 1 40  ? -24.116 -18.243 -25.994 1 35.078 ? 52  LYS   A O    1 ? 2 
ATOM   2430 C CB   . LYS   B 1 40  ? -25.056 -17.881 -23.08  1 44.084 ? 52  LYS   A CB   1 ? 2 
ATOM   2431 C CG   . LYS   B 1 40  ? -24.378 -18.36  -21.804 1 45.974 ? 52  LYS   A CG   1 ? 2 
ATOM   2432 C CD   . LYS   B 1 40  ? -25.372 -19.017 -20.869 1 52.429 ? 52  LYS   A CD   1 ? 2 
ATOM   2433 C CE   . LYS   B 1 40  ? -25.808 -20.364 -21.36  1 57.113 ? 52  LYS   A CE   1 ? 2 
ATOM   2434 N NZ   . LYS   B 1 40  ? -24.812 -21.373 -20.99  1 58.331 ? 52  LYS   A NZ   1 ? 2 
ATOM   2435 H H    . LYS   B 1 40  ? -25.888 -16.11  -24.694 1 40.345 ? 52  LYS   A H    1 c 2 
ATOM   2436 H HA   . LYS   B 1 40  ? -23.501 -16.534 -23.397 1 37.815 ? 52  LYS   A HA   1 c 2 
ATOM   2437 H HB2  . LYS   B 1 40  ? -25.871 -17.393 -22.833 1 44.732 ? 52  LYS   A HB2  1 c 2 
ATOM   2438 H HB3  . LYS   B 1 40  ? -25.326 -18.665 -23.604 1 44.951 ? 52  LYS   A HB3  1 c 2 
ATOM   2439 H HG2  . LYS   B 1 40  ? -23.673 -19.002 -22.038 1 45.937 ? 52  LYS   A HG2  1 c 2 
ATOM   2440 H HG3  . LYS   B 1 40  ? -23.964 -17.592 -21.354 1 45.098 ? 52  LYS   A HG3  1 c 2 
ATOM   2441 H HD2  . LYS   B 1 40  ? -24.963 -19.113 -19.981 1 52.326 ? 52  LYS   A HD2  1 c 2 
ATOM   2442 H HD3  . LYS   B 1 40  ? -26.16  -18.438 -20.778 1 52.766 ? 52  LYS   A HD3  1 c 2 
ATOM   2443 H HE2  . LYS   B 1 40  ? -26.663 -20.598 -20.957 1 58.814 ? 52  LYS   A HE2  1 c 2 
ATOM   2444 H HE3  . LYS   B 1 40  ? -25.917 -20.358 -22.327 1 56.214 ? 52  LYS   A HE3  1 c 2 
ATOM   2445 H HZ1  . LYS   B 1 40  ? -24.66  -21.346 -20.097 1 58.333 ? 52  LYS   A HZ1  1 c 2 
ATOM   2446 H HZ2  . LYS   B 1 40  ? -24.036 -21.217 -21.428 1 56.195 ? 52  LYS   A HZ2  1 c 2 
ATOM   2447 H HZ3  . LYS   B 1 40  ? -25.12  -22.196 -21.207 1 59.647 ? 52  LYS   A HZ3  1 c 2 
ATOM   2448 N N    . VAL   B 1 41  ? -22.174 -17.904 -24.927 1 39.449 ? 53  VAL   A N    1 ? 2 
ATOM   2449 C CA   . VAL   B 1 41  ? -21.337 -18.463 -25.983 1 40.201 ? 53  VAL   A CA   1 ? 2 
ATOM   2450 C C    . VAL   B 1 41  ? -20.583 -19.697 -25.491 1 39.493 ? 53  VAL   A C    1 ? 2 
ATOM   2451 O O    . VAL   B 1 41  ? -20.135 -19.72  -24.345 1 39.578 ? 53  VAL   A O    1 ? 2 
ATOM   2452 C CB   . VAL   B 1 41  ? -20.378 -17.36  -26.453 1 39.708 ? 53  VAL   A CB   1 ? 2 
ATOM   2453 C CG1  . VAL   B 1 41  ? -19.333 -17.873 -27.432 1 40.989 ? 53  VAL   A CG1  1 ? 2 
ATOM   2454 C CG2  . VAL   B 1 41  ? -21.141 -16.197 -27.067 1 40.989 ? 53  VAL   A CG2  1 ? 2 
ATOM   2455 H H    . VAL   B 1 41  ? -21.774 -17.638 -24.149 1 37.981 ? 53  VAL   A H    1 c 2 
ATOM   2456 H HA   . VAL   B 1 41  ? -21.907 -18.72  -26.733 1 40.9   ? 53  VAL   A HA   1 c 2 
ATOM   2457 H HB   . VAL   B 1 41  ? -19.906 -17.024 -25.654 1 39.095 ? 53  VAL   A HB   1 c 2 
ATOM   2458 H HG11 . VAL   B 1 41  ? -19.759 -18.449 -28.087 1 41.614 ? 53  VAL   A HG11 1 c 2 
ATOM   2459 H HG12 . VAL   B 1 41  ? -18.656 -18.377 -26.95  1 40.214 ? 53  VAL   A HG12 1 c 2 
ATOM   2460 H HG13 . VAL   B 1 41  ? -18.914 -17.122 -27.884 1 39.343 ? 53  VAL   A HG13 1 c 2 
ATOM   2461 H HG21 . VAL   B 1 41  ? -20.515 -15.577 -27.477 1 39.308 ? 53  VAL   A HG21 1 c 2 
ATOM   2462 H HG22 . VAL   B 1 41  ? -21.644 -15.737 -26.375 1 40.598 ? 53  VAL   A HG22 1 c 2 
ATOM   2463 H HG23 . VAL   B 1 41  ? -21.753 -16.532 -27.743 1 41.628 ? 53  VAL   A HG23 1 c 2 
ATOM   2464 N N    . TYR   B 1 42  ? -20.44  -20.694 -26.388 1 40.043 ? 54  TYR   A N    1 ? 2 
ATOM   2465 C CA   . TYR   B 1 42  ? -19.719 -21.928 -26.097 1 42.036 ? 54  TYR   A CA   1 ? 2 
ATOM   2466 C C    . TYR   B 1 42  ? -18.565 -22.108 -27.069 1 38.897 ? 54  TYR   A C    1 ? 2 
ATOM   2467 O O    . TYR   B 1 42  ? -18.799 -22.174 -28.27  1 41.014 ? 54  TYR   A O    1 ? 2 
ATOM   2468 C CB   . TYR   B 1 42  ? -20.649 -23.137 -26.222 1 46.514 ? 54  TYR   A CB   1 ? 2 
ATOM   2469 C CG   . TYR   B 1 42  ? -21.865 -23.078 -25.31  1 51.624 ? 54  TYR   A CG   1 ? 2 
ATOM   2470 C CD1  . TYR   B 1 42  ? -22.987 -22.308 -25.659 1 54.221 ? 54  TYR   A CD1  1 ? 2 
ATOM   2471 C CD2  . TYR   B 1 42  ? -21.905 -23.778 -24.107 1 53.786 ? 54  TYR   A CD2  1 ? 2 
ATOM   2472 C CE1  . TYR   B 1 42  ? -24.108 -22.234 -24.845 1 52.897 ? 54  TYR   A CE1  1 ? 2 
ATOM   2473 C CE2  . TYR   B 1 42  ? -23.031 -23.726 -23.292 1 56.388 ? 54  TYR   A CE2  1 ? 2 
ATOM   2474 C CZ   . TYR   B 1 42  ? -24.122 -22.951 -23.665 1 55.547 ? 54  TYR   A CZ   1 ? 2 
ATOM   2475 O OH   . TYR   B 1 42  ? -25.226 -22.863 -22.893 1 58.554 ? 54  TYR   A OH   1 ? 2 
ATOM   2476 H H    . TYR   B 1 42  ? -20.808 -20.594 -27.219 1 40.781 ? 54  TYR   A H    1 c 2 
ATOM   2477 H HA   . TYR   B 1 42  ? -19.363 -21.888 -25.17  1 41.2   ? 54  TYR   A HA   1 c 2 
ATOM   2478 H HB2  . TYR   B 1 42  ? -20.954 -23.202 -27.154 1 47.488 ? 54  TYR   A HB2  1 c 2 
ATOM   2479 H HB3  . TYR   B 1 42  ? -20.135 -23.949 -26.014 1 47.874 ? 54  TYR   A HB3  1 c 2 
ATOM   2480 H HD1  . TYR   B 1 42  ? -22.976 -21.822 -26.468 1 52.066 ? 54  TYR   A HD1  1 c 2 
ATOM   2481 H HD2  . TYR   B 1 42  ? -21.168 -24.311 -23.852 1 54.01  ? 54  TYR   A HD2  1 c 2 
ATOM   2482 H HE1  . TYR   B 1 42  ? -24.851 -21.714 -25.098 1 54.002 ? 54  TYR   A HE1  1 c 2 
ATOM   2483 H HE2  . TYR   B 1 42  ? -23.048 -24.203 -22.48  1 57.24  ? 54  TYR   A HE2  1 c 2 
ATOM   2484 H HH   . TYR   B 1 42  ? -25.816 -22.394 -23.233 0 30     ? 54  TYR   A HH   1 c 2 
ATOM   2485 N N    . VAL   B 1 43  ? -17.337 -22.226 -26.543 1 36.741 ? 55  VAL   A N    1 ? 2 
ATOM   2486 C CA   . VAL   B 1 43  ? -16.171 -22.396 -27.397 1 36.61  ? 55  VAL   A CA   1 ? 2 
ATOM   2487 C C    . VAL   B 1 43  ? -15.243 -23.5   -26.889 1 38.491 ? 55  VAL   A C    1 ? 2 
ATOM   2488 O O    . VAL   B 1 43  ? -15.228 -23.824 -25.699 1 38.833 ? 55  VAL   A O    1 ? 2 
ATOM   2489 C CB   . VAL   B 1 43  ? -15.341 -21.113 -27.494 1 36.068 ? 55  VAL   A CB   1 ? 2 
ATOM   2490 C CG1  . VAL   B 1 43  ? -16.141 -19.943 -28.04  1 35.774 ? 55  VAL   A CG1  1 ? 2 
ATOM   2491 C CG2  . VAL   B 1 43  ? -14.711 -20.779 -26.154 1 34.447 ? 55  VAL   A CG2  1 ? 2 
ATOM   2492 H H    . VAL   B 1 43  ? -17.224 -22.206 -25.637 1 36.962 ? 55  VAL   A H    1 c 2 
ATOM   2493 H HA   . VAL   B 1 43  ? -16.476 -22.635 -28.29  1 37.959 ? 55  VAL   A HA   1 c 2 
ATOM   2494 H HB   . VAL   B 1 43  ? -14.607 -21.291 -28.127 1 35.739 ? 55  VAL   A HB   1 c 2 
ATOM   2495 H HG11 . VAL   B 1 43  ? -16.855 -19.72  -27.42  1 35.627 ? 55  VAL   A HG11 1 c 2 
ATOM   2496 H HG12 . VAL   B 1 43  ? -16.524 -20.185 -28.9   1 36.503 ? 55  VAL   A HG12 1 c 2 
ATOM   2497 H HG13 . VAL   B 1 43  ? -15.558 -19.174 -28.152 1 34.256 ? 55  VAL   A HG13 1 c 2 
ATOM   2498 H HG21 . VAL   B 1 43  ? -14.332 -19.886 -26.19  1 33.121 ? 55  VAL   A HG21 1 c 2 
ATOM   2499 H HG22 . VAL   B 1 43  ? -14.007 -21.418 -25.953 1 35.103 ? 55  VAL   A HG22 1 c 2 
ATOM   2500 H HG23 . VAL   B 1 43  ? -15.386 -20.813 -25.458 1 34.946 ? 55  VAL   A HG23 1 c 2 
ATOM   2501 N N    . HIS   B 1 44  ? -14.45  -24.043 -27.831 1 37.438 ? 56  HIS   A N    1 ? 2 
ATOM   2502 C CA   . HIS   B 1 44  ? -13.165 -24.646 -27.518 1 38.04  ? 56  HIS   A CA   1 ? 2 
ATOM   2503 C C    . HIS   B 1 44  ? -12.107 -23.7   -28.072 1 35.529 ? 56  HIS   A C    1 ? 2 
ATOM   2504 O O    . HIS   B 1 44  ? -12.349 -22.983 -29.033 1 33.388 ? 56  HIS   A O    1 ? 2 
ATOM   2505 C CB   . HIS   B 1 44  ? -13.032 -26.099 -28.036 1 41.072 ? 56  HIS   A CB   1 ? 2 
ATOM   2506 C CG   . HIS   B 1 44  ? -13.663 -27.151 -27.162 1 42.958 ? 56  HIS   A CG   1 ? 2 
ATOM   2507 N ND1  . HIS   B 1 44  ? -13.36  -27.338 -25.824 1 41.015 ? 56  HIS   A ND1  1 ? 2 
ATOM   2508 C CD2  . HIS   B 1 44  ? -14.587 -28.097 -27.469 1 45.504 ? 56  HIS   A CD2  1 ? 2 
ATOM   2509 C CE1  . HIS   B 1 44  ? -14.123 -28.305 -25.342 1 44.069 ? 56  HIS   A CE1  1 ? 2 
ATOM   2510 N NE2  . HIS   B 1 44  ? -14.865 -28.792 -26.326 1 46.068 ? 56  HIS   A NE2  1 ? 2 
ATOM   2511 H H    . HIS   B 1 44  ? -14.728 -24.036 -28.702 1 38.393 ? 56  HIS   A H    1 c 2 
ATOM   2512 H HA   . HIS   B 1 44  ? -13.074 -24.662 -26.535 1 37.69  ? 56  HIS   A HA   1 c 2 
ATOM   2513 H HB2  . HIS   B 1 44  ? -13.437 -26.149 -28.929 1 41.651 ? 56  HIS   A HB2  1 c 2 
ATOM   2514 H HB3  . HIS   B 1 44  ? -12.078 -26.307 -28.139 1 41.101 ? 56  HIS   A HB3  1 c 2 
ATOM   2515 H HD1  . HIS   B 1 44  ? -12.711 -26.893 -25.387 0 30     ? 56  HIS   A HD1  1 c 2 
ATOM   2516 H HD2  . HIS   B 1 44  ? -14.999 -28.226 -28.301 1 46.148 ? 56  HIS   A HD2  1 c 2 
ATOM   2517 H HE1  . HIS   B 1 44  ? -14.094 -28.632 -24.462 1 45.006 ? 56  HIS   A HE1  1 c 2 
ATOM   2518 H HE2  . HIS   B 1 44  ? -15.438 -29.419 -26.23  0 30     ? 56  HIS   A HE2  1 c 2 
ATOM   2519 N N    . TYR   B 1 45  ? -10.946 -23.689 -27.419 1 36.144 ? 57  TYR   A N    1 ? 2 
ATOM   2520 C CA   . TYR   B 1 45  ? -9.854  -22.827 -27.837 1 33.98  ? 57  TYR   A CA   1 ? 2 
ATOM   2521 C C    . TYR   B 1 45  ? -8.505  -23.409 -27.427 1 34.695 ? 57  TYR   A C    1 ? 2 
ATOM   2522 O O    . TYR   B 1 45  ? -8.414  -24.326 -26.618 1 36.39  ? 57  TYR   A O    1 ? 2 
ATOM   2523 C CB   . TYR   B 1 45  ? -9.958  -21.438 -27.221 1 29.937 ? 57  TYR   A CB   1 ? 2 
ATOM   2524 C CG   . TYR   B 1 45  ? -9.615  -21.362 -25.74  1 28.024 ? 57  TYR   A CG   1 ? 2 
ATOM   2525 C CD1  . TYR   B 1 45  ? -10.534 -21.626 -24.763 1 28.534 ? 57  TYR   A CD1  1 ? 2 
ATOM   2526 C CD2  . TYR   B 1 45  ? -8.384  -21.007 -25.279 1 26.681 ? 57  TYR   A CD2  1 ? 2 
ATOM   2527 C CE1  . TYR   B 1 45  ? -10.24  -21.576 -23.398 1 28.448 ? 57  TYR   A CE1  1 ? 2 
ATOM   2528 C CE2  . TYR   B 1 45  ? -8.073  -20.937 -23.923 1 27.445 ? 57  TYR   A CE2  1 ? 2 
ATOM   2529 C CZ   . TYR   B 1 45  ? -9.008  -21.193 -22.944 1 27.639 ? 57  TYR   A CZ   1 ? 2 
ATOM   2530 O OH   . TYR   B 1 45  ? -8.755  -21.13  -21.602 1 25.262 ? 57  TYR   A OH   1 ? 2 
ATOM   2531 H H    . TYR   B 1 45  ? -10.829 -24.233 -26.694 1 36.489 ? 57  TYR   A H    1 c 2 
ATOM   2532 H HA   . TYR   B 1 45  ? -9.878  -22.743 -28.825 1 34.067 ? 57  TYR   A HA   1 c 2 
ATOM   2533 H HB2  . TYR   B 1 45  ? -9.359  -20.835 -27.713 1 29.173 ? 57  TYR   A HB2  1 c 2 
ATOM   2534 H HB3  . TYR   B 1 45  ? -10.877 -21.112 -27.348 1 29.657 ? 57  TYR   A HB3  1 c 2 
ATOM   2535 H HD1  . TYR   B 1 45  ? -11.404 -21.881 -25.023 1 29.118 ? 57  TYR   A HD1  1 c 2 
ATOM   2536 H HD2  . TYR   B 1 45  ? -7.708  -20.806 -25.907 1 26.864 ? 57  TYR   A HD2  1 c 2 
ATOM   2537 H HE1  . TYR   B 1 45  ? -10.922 -21.76  -22.774 1 29.011 ? 57  TYR   A HE1  1 c 2 
ATOM   2538 H HE2  . TYR   B 1 45  ? -7.205  -20.677 -23.667 1 26.87  ? 57  TYR   A HE2  1 c 2 
ATOM   2539 H HH   . TYR   B 1 45  ? -9.433  -21.319 -21.152 0 30     ? 57  TYR   A HH   1 c 2 
ATOM   2540 N N    . LYS   B 1 46  ? -7.455  -22.842 -28.016 1 35.639 ? 58  LYS   A N    1 ? 2 
ATOM   2541 C CA   . LYS   B 1 46  ? -6.1    -23.063 -27.546 1 36.794 ? 58  LYS   A CA   1 ? 2 
ATOM   2542 C C    . LYS   B 1 46  ? -5.42   -21.707 -27.655 1 33.357 ? 58  LYS   A C    1 ? 2 
ATOM   2543 O O    . LYS   B 1 46  ? -5.721  -20.932 -28.531 1 33.843 ? 58  LYS   A O    1 ? 2 
ATOM   2544 C CB   . LYS   B 1 46  ? -5.244  -24.127 -28.241 1 39.698 ? 58  LYS   A CB   1 ? 2 
ATOM   2545 C CG   . LYS   B 1 46  ? -5.961  -25.011 -29.234 1 45.362 ? 58  LYS   A CG   1 ? 2 
ATOM   2546 C CD   . LYS   B 1 46  ? -5.448  -26.448 -29.397 1 48.585 ? 58  LYS   A CD   1 ? 2 
ATOM   2547 C CE   . LYS   B 1 46  ? -4.418  -26.645 -30.445 1 49.62  ? 58  LYS   A CE   1 ? 2 
ATOM   2548 N NZ   . LYS   B 1 46  ? -4.659  -27.952 -31.056 1 53.515 ? 58  LYS   A NZ   1 ? 2 
ATOM   2549 H H    . LYS   B 1 46  ? -7.587  -22.299 -28.74  1 34.828 ? 58  LYS   A H    1 c 2 
ATOM   2550 H HA   . LYS   B 1 46  ? -6.15   -23.304 -26.588 1 36.493 ? 58  LYS   A HA   1 c 2 
ATOM   2551 H HB2  . LYS   B 1 46  ? -4.508  -23.678 -28.708 1 40.048 ? 58  LYS   A HB2  1 c 2 
ATOM   2552 H HB3  . LYS   B 1 46  ? -4.846  -24.7   -27.551 1 41.27  ? 58  LYS   A HB3  1 c 2 
ATOM   2553 H HG2  . LYS   B 1 46  ? -6.906  -25.055 -28.974 1 44.141 ? 58  LYS   A HG2  1 c 2 
ATOM   2554 H HG3  . LYS   B 1 46  ? -5.928  -24.569 -30.11  1 44.214 ? 58  LYS   A HG3  1 c 2 
ATOM   2555 H HD2  . LYS   B 1 46  ? -5.08   -26.745 -28.536 1 48.682 ? 58  LYS   A HD2  1 c 2 
ATOM   2556 H HD3  . LYS   B 1 46  ? -6.217  -27.026 -29.595 1 49.673 ? 58  LYS   A HD3  1 c 2 
ATOM   2557 H HE2  . LYS   B 1 46  ? -4.485  -25.953 -31.127 1 48.919 ? 58  LYS   A HE2  1 c 2 
ATOM   2558 H HE3  . LYS   B 1 46  ? -3.526  -26.619 -30.058 1 49.874 ? 58  LYS   A HE3  1 c 2 
ATOM   2559 H HZ1  . LYS   B 1 46  ? -5.442  -27.941 -31.512 1 53.488 ? 58  LYS   A HZ1  1 c 2 
ATOM   2560 H HZ2  . LYS   B 1 46  ? -4.693  -28.594 -30.417 1 54.364 ? 58  LYS   A HZ2  1 c 2 
ATOM   2561 H HZ3  . LYS   B 1 46  ? -3.987  -28.145 -31.632 1 54.629 ? 58  LYS   A HZ3  1 c 2 
ATOM   2562 N N    . GLY   B 1 47  ? -4.579  -21.421 -26.676 1 32.344 ? 59  GLY   A N    1 ? 2 
ATOM   2563 C CA   . GLY   B 1 47  ? -4.01   -20.112 -26.485 1 30.874 ? 59  GLY   A CA   1 ? 2 
ATOM   2564 C C    . GLY   B 1 47  ? -2.531  -20.223 -26.124 1 30.139 ? 59  GLY   A C    1 ? 2 
ATOM   2565 O O    . GLY   B 1 47  ? -2.099  -21.188 -25.513 1 34.822 ? 59  GLY   A O    1 ? 2 
ATOM   2566 H H    . GLY   B 1 47  ? -4.343  -22.084 -26.092 1 33.445 ? 59  GLY   A H    1 c 2 
ATOM   2567 H HA2  . GLY   B 1 47  ? -4.114  -19.585 -27.31  1 30.062 ? 59  GLY   A HA2  1 c 2 
ATOM   2568 H HA3  . GLY   B 1 47  ? -4.495  -19.649 -25.762 1 29.549 ? 59  GLY   A HA3  1 c 2 
ATOM   2569 N N    . LYS   B 1 48  ? -1.751  -19.271 -26.604 1 28.019 ? 60  LYS   A N    1 ? 2 
ATOM   2570 C CA   . LYS   B 1 48  ? -0.368  -19.133 -26.225 1 29.75  ? 60  LYS   A CA   1 ? 2 
ATOM   2571 C C    . LYS   B 1 48  ? 0.006   -17.657 -26.339 1 28.697 ? 60  LYS   A C    1 ? 2 
ATOM   2572 O O    . LYS   B 1 48  ? -0.696  -16.876 -26.998 1 27.908 ? 60  LYS   A O    1 ? 2 
ATOM   2573 C CB   . LYS   B 1 48  ? 0.564   -20.048 -27.03  1 33.992 ? 60  LYS   A CB   1 ? 2 
ATOM   2574 C CG   . LYS   B 1 48  ? 0.559   -19.86  -28.559 1 36.869 ? 60  LYS   A CG   1 ? 2 
ATOM   2575 C CD   . LYS   B 1 48  ? 1.711   -20.567 -29.281 1 39.587 ? 60  LYS   A CD   1 ? 2 
ATOM   2576 C CE   . LYS   B 1 48  ? 1.669   -20.409 -30.782 1 41.824 ? 60  LYS   A CE   1 ? 2 
ATOM   2577 N NZ   . LYS   B 1 48  ? 2.703   -21.179 -31.493 1 45.207 ? 60  LYS   A NZ   1 ? 2 
ATOM   2578 H H    . LYS   B 1 48  ? -2.098  -18.675 -27.203 1 27.992 ? 60  LYS   A H    1 c 2 
ATOM   2579 H HA   . LYS   B 1 48  ? -0.29   -19.392 -25.273 1 30.127 ? 60  LYS   A HA   1 c 2 
ATOM   2580 H HB2  . LYS   B 1 48  ? 1.481   -19.91  -26.709 1 34.489 ? 60  LYS   A HB2  1 c 2 
ATOM   2581 H HB3  . LYS   B 1 48  ? 0.323   -20.979 -26.836 1 34.918 ? 60  LYS   A HB3  1 c 2 
ATOM   2582 H HG2  . LYS   B 1 48  ? -0.293  -20.199 -28.911 1 36.316 ? 60  LYS   A HG2  1 c 2 
ATOM   2583 H HG3  . LYS   B 1 48  ? 0.603   -18.9   -28.756 1 35.412 ? 60  LYS   A HG3  1 c 2 
ATOM   2584 H HD2  . LYS   B 1 48  ? 2.561   -20.208 -28.947 1 40.102 ? 60  LYS   A HD2  1 c 2 
ATOM   2585 H HD3  . LYS   B 1 48  ? 1.683   -21.523 -29.061 1 41.085 ? 60  LYS   A HD3  1 c 2 
ATOM   2586 H HE2  . LYS   B 1 48  ? 0.795   -20.692 -31.105 1 41.507 ? 60  LYS   A HE2  1 c 2 
ATOM   2587 H HE3  . LYS   B 1 48  ? 1.776   -19.467 -31.004 1 40.826 ? 60  LYS   A HE3  1 c 2 
ATOM   2588 H HZ1  . LYS   B 1 48  ? 2.598   -22.062 -31.323 1 46.027 ? 60  LYS   A HZ1  1 c 2 
ATOM   2589 H HZ2  . LYS   B 1 48  ? 3.525   -20.917 -31.215 1 45.317 ? 60  LYS   A HZ2  1 c 2 
ATOM   2590 H HZ3  . LYS   B 1 48  ? 2.631   -21.037 -32.385 1 45.726 ? 60  LYS   A HZ3  1 c 2 
ATOM   2591 N N    . LEU   B 1 49  ? 1.027   -17.283 -25.558 1 30.044 ? 61  LEU   A N    1 ? 2 
ATOM   2592 C CA   . LEU   B 1 49  ? 1.896   -16.15  -25.836 1 31.794 ? 61  LEU   A CA   1 ? 2 
ATOM   2593 C C    . LEU   B 1 49  ? 2.556   -16.401 -27.186 1 36.847 ? 61  LEU   A C    1 ? 2 
ATOM   2594 O O    . LEU   B 1 49  ? 2.847   -17.542 -27.523 1 38.312 ? 61  LEU   A O    1 ? 2 
ATOM   2595 C CB   . LEU   B 1 49  ? 2.957   -16.005 -24.752 1 30.891 ? 61  LEU   A CB   1 ? 2 
ATOM   2596 C CG   . LEU   B 1 49  ? 2.433   -15.95  -23.315 1 29.954 ? 61  LEU   A CG   1 ? 2 
ATOM   2597 C CD1  . LEU   B 1 49  ? 3.498   -15.663 -22.244 1 30.609 ? 61  LEU   A CD1  1 ? 2 
ATOM   2598 C CD2  . LEU   B 1 49  ? 1.313   -14.898 -23.29  1 27.09  ? 61  LEU   A CD2  1 ? 2 
ATOM   2599 H H    . LEU   B 1 49  ? 1.195   -17.779 -24.809 1 30.603 ? 61  LEU   A H    1 c 2 
ATOM   2600 H HA   . LEU   B 1 49  ? 1.347   -15.327 -25.885 1 30.719 ? 61  LEU   A HA   1 c 2 
ATOM   2601 H HB2  . LEU   B 1 49  ? 3.58    -16.765 -24.826 1 32.454 ? 61  LEU   A HB2  1 c 2 
ATOM   2602 H HB3  . LEU   B 1 49  ? 3.467   -15.181 -24.928 1 31.27  ? 61  LEU   A HB3  1 c 2 
ATOM   2603 H HG   . LEU   B 1 49  ? 2.027   -16.829 -23.102 1 29.979 ? 61  LEU   A HG   1 c 2 
ATOM   2604 H HD11 . LEU   B 1 49  ? 4.18    -16.355 -22.269 1 31.935 ? 61  LEU   A HD11 1 c 2 
ATOM   2605 H HD12 . LEU   B 1 49  ? 3.082   -15.651 -21.366 1 30.479 ? 61  LEU   A HD12 1 c 2 
ATOM   2606 H HD13 . LEU   B 1 49  ? 3.91    -14.799 -22.418 1 30.66  ? 61  LEU   A HD13 1 c 2 
ATOM   2607 H HD21 . LEU   B 1 49  ? 0.484   -15.302 -23.594 1 26.946 ? 61  LEU   A HD21 1 c 2 
ATOM   2608 H HD22 . LEU   B 1 49  ? 1.547   -14.157 -23.875 1 27.31  ? 61  LEU   A HD22 1 c 2 
ATOM   2609 H HD23 . LEU   B 1 49  ? 1.197   -14.568 -22.383 1 27.284 ? 61  LEU   A HD23 1 c 2 
ATOM   2610 N N    . SER   B 1 50  ? 2.753   -15.348 -27.97  1 42.782 ? 62  SER   A N    1 ? 2 
ATOM   2611 C CA   . SER   B 1 50  ? 3.319   -15.504 -29.295 1 52.168 ? 62  SER   A CA   1 ? 2 
ATOM   2612 C C    . SER   B 1 50  ? 4.779   -15.951 -29.158 1 55.647 ? 62  SER   A C    1 ? 2 
ATOM   2613 O O    . SER   B 1 50  ? 5.304   -16.638 -30.039 1 55.887 ? 62  SER   A O    1 ? 2 
ATOM   2614 C CB   . SER   B 1 50  ? 3.166   -14.225 -30.081 1 54.925 ? 62  SER   A CB   1 ? 2 
ATOM   2615 O OG   . SER   B 1 50  ? 4.214   -13.322 -29.763 1 56.218 ? 62  SER   A OG   1 ? 2 
ATOM   2616 H H    . SER   B 1 50  ? 2.535   -14.511 -27.673 1 41.848 ? 62  SER   A H    1 c 2 
ATOM   2617 H HA   . SER   B 1 50  ? 2.818   -16.219 -29.763 1 51.361 ? 62  SER   A HA   1 c 2 
ATOM   2618 H HB2  . SER   B 1 50  ? 3.184   -14.426 -31.037 1 55.329 ? 62  SER   A HB2  1 c 2 
ATOM   2619 H HB3  . SER   B 1 50  ? 2.305   -13.814 -29.869 1 52.916 ? 62  SER   A HB3  1 c 2 
ATOM   2620 H HG   . SER   B 1 50  ? 4.103   -12.738 -30.572 0 30     ? 62  SER   A HG   1 c 2 
ATOM   2621 N N    . ASN   B 1 51  ? 5.396   -15.583 -28.014 1 60.21  ? 63  ASN   A N    1 ? 2 
ATOM   2622 C CA   . ASN   B 1 51  ? 6.659   -16.151 -27.533 1 64.063 ? 63  ASN   A CA   1 ? 2 
ATOM   2623 C C    . ASN   B 1 51  ? 6.592   -17.686 -27.463 1 63.105 ? 63  ASN   A C    1 ? 2 
ATOM   2624 O O    . ASN   B 1 51  ? 7.583   -18.369 -27.677 1 67.775 ? 63  ASN   A O    1 ? 2 
ATOM   2625 C CB   . ASN   B 1 51  ? 7.068   -15.545 -26.186 1 55.771 ? 63  ASN   A CB   1 ? 2 
ATOM   2626 H H    . ASN   B 1 51  ? 5.01    -14.922 -27.515 1 57.955 ? 63  ASN   A H    1 c 2 
ATOM   2627 H HA   . ASN   B 1 51  ? 7.359   -15.91  -28.181 1 63.009 ? 63  ASN   A HA   1 c 2 
ATOM   2628 H HB2  . ASN   B 1 51  ? 8.076   -15.561 -26.196 0 30     ? 63  ASN   A HB2  1 c 2 
ATOM   2629 H HB3  . ASN   B 1 51  ? 6.305   -15.348 -25.716 0 30     ? 63  ASN   A HB3  1 c 2 
ATOM   2630 N N    . GLY   B 1 52  ? 5.417   -18.23  -27.147 1 62.752 ? 64  GLY   A N    1 ? 2 
ATOM   2631 C CA   . GLY   B 1 52  ? 5.18    -19.662 -27.12  1 61.988 ? 64  GLY   A CA   1 ? 2 
ATOM   2632 C C    . GLY   B 1 52  ? 5.419   -20.233 -25.724 1 63.522 ? 64  GLY   A C    1 ? 2 
ATOM   2633 O O    . GLY   B 1 52  ? 5.426   -21.453 -25.559 1 68.087 ? 64  GLY   A O    1 ? 2 
ATOM   2634 H H    . GLY   B 1 52  ? 4.728   -17.677 -26.915 1 60.334 ? 64  GLY   A H    1 c 2 
ATOM   2635 H HA2  . GLY   B 1 52  ? 4.25    -19.84  -27.394 1 61.548 ? 64  GLY   A HA2  1 c 2 
ATOM   2636 H HA3  . GLY   B 1 52  ? 5.778   -20.105 -27.767 1 64.302 ? 64  GLY   A HA3  1 c 2 
ATOM   2637 N N    . LYS   B 1 53  ? 5.609   -19.348 -24.73  1 58.658 ? 65  LYS   A N    1 ? 2 
ATOM   2638 C CA   . LYS   B 1 53  ? 6.291   -19.728 -23.495 1 56.775 ? 65  LYS   A CA   1 ? 2 
ATOM   2639 C C    . LYS   B 1 53  ? 5.253   -20.135 -22.42  1 52.697 ? 65  LYS   A C    1 ? 2 
ATOM   2640 O O    . LYS   B 1 53  ? 5.574   -20.836 -21.476 1 51.129 ? 65  LYS   A O    1 ? 2 
ATOM   2641 C CB   . LYS   B 1 53  ? 7.375   -18.68  -23.161 1 50.778 ? 65  LYS   A CB   1 ? 2 
ATOM   2642 H H    . LYS   B 1 53  ? 5.294   -18.494 -24.815 1 57.445 ? 65  LYS   A H    1 c 2 
ATOM   2643 H HA   . LYS   B 1 53  ? 6.809   -20.549 -23.696 1 57.232 ? 65  LYS   A HA   1 c 2 
ATOM   2644 H HB2  . LYS   B 1 53  ? 8.252   -19.04  -23.227 0 30     ? 65  LYS   A HB2  1 c 2 
ATOM   2645 H HB3  . LYS   B 1 53  ? 6.88    -17.851 -22.828 0 30     ? 65  LYS   A HB3  1 c 2 
ATOM   2646 N N    . LYS   B 1 54  ? 3.97    -19.78  -22.578 1 48.436 ? 66  LYS   A N    1 ? 2 
ATOM   2647 C CA   . LYS   B 1 54  ? 2.879   -20.401 -21.833 1 44.306 ? 66  LYS   A CA   1 ? 2 
ATOM   2648 C C    . LYS   B 1 54  ? 1.782   -20.782 -22.831 1 43.203 ? 66  LYS   A C    1 ? 2 
ATOM   2649 O O    . LYS   B 1 54  ? 1.663   -20.151 -23.867 1 41.932 ? 66  LYS   A O    1 ? 2 
ATOM   2650 C CB   . LYS   B 1 54  ? 2.329   -19.522 -20.699 1 40.939 ? 66  LYS   A CB   1 ? 2 
ATOM   2651 H H    . LYS   B 1 54  ? 3.767   -19.113 -23.168 1 47.096 ? 66  LYS   A H    1 c 2 
ATOM   2652 H HA   . LYS   B 1 54  ? 3.221   -21.236 -21.425 1 46.148 ? 66  LYS   A HA   1 c 2 
ATOM   2653 H HB2  . LYS   B 1 54  ? 3.065   -19.051 -20.256 0 30     ? 66  LYS   A HB2  1 c 2 
ATOM   2654 H HB3  . LYS   B 1 54  ? 1.336   -19.49  -20.78  0 30     ? 66  LYS   A HB3  1 c 2 
ATOM   2655 N N    . PHE   B 1 55  ? 1.017   -21.837 -22.52  1 45.418 ? 67  PHE   A N    1 ? 2 
ATOM   2656 C CA   . PHE   B 1 55  ? -0.042  -22.4   -23.344 1 44.069 ? 67  PHE   A CA   1 ? 2 
ATOM   2657 C C    . PHE   B 1 55  ? -1.275  -22.705 -22.5   1 42.177 ? 67  PHE   A C    1 ? 2 
ATOM   2658 O O    . PHE   B 1 55  ? -1.168  -22.921 -21.295 1 41.426 ? 67  PHE   A O    1 ? 2 
ATOM   2659 C CB   . PHE   B 1 55  ? 0.361   -23.783 -23.841 1 53.028 ? 67  PHE   A CB   1 ? 2 
ATOM   2660 C CG   . PHE   B 1 55  ? 0.698   -23.876 -25.312 1 60.943 ? 67  PHE   A CG   1 ? 2 
ATOM   2661 C CD1  . PHE   B 1 55  ? -0.293  -24.212 -26.235 1 66.596 ? 67  PHE   A CD1  1 ? 2 
ATOM   2662 C CD2  . PHE   B 1 55  ? 2.002   -23.649 -25.75  1 68.877 ? 67  PHE   A CD2  1 ? 2 
ATOM   2663 C CE1  . PHE   B 1 55  ? 0.004   -24.283 -27.59  1 74.442 ? 67  PHE   A CE1  1 ? 2 
ATOM   2664 C CE2  . PHE   B 1 55  ? 2.303   -23.731 -27.103 1 80.591 ? 67  PHE   A CE2  1 ? 2 
ATOM   2665 C CZ   . PHE   B 1 55  ? 1.305   -24.046 -28.024 1 81.719 ? 67  PHE   A CZ   1 ? 2 
ATOM   2666 H H    . PHE   B 1 55  ? 1.173   -22.237 -21.713 1 45.678 ? 67  PHE   A H    1 c 2 
ATOM   2667 H HA   . PHE   B 1 55  ? -0.265  -21.8   -24.101 1 43.906 ? 67  PHE   A HA   1 c 2 
ATOM   2668 H HB2  . PHE   B 1 55  ? 1.142   -24.074 -23.324 1 54.034 ? 67  PHE   A HB2  1 c 2 
ATOM   2669 H HB3  . PHE   B 1 55  ? -0.369  -24.412 -23.647 1 53.458 ? 67  PHE   A HB3  1 c 2 
ATOM   2670 H HD1  . PHE   B 1 55  ? -1.177  -24.361 -25.939 1 66.389 ? 67  PHE   A HD1  1 c 2 
ATOM   2671 H HD2  . PHE   B 1 55  ? 2.676   -23.425 -25.128 1 69.505 ? 67  PHE   A HD2  1 c 2 
ATOM   2672 H HE1  . PHE   B 1 55  ? -0.67   -24.505 -28.212 1 74.215 ? 67  PHE   A HE1  1 c 2 
ATOM   2673 H HE2  . PHE   B 1 55  ? 3.184   -23.568 -27.399 1 78.607 ? 67  PHE   A HE2  1 c 2 
ATOM   2674 H HZ   . PHE   B 1 55  ? 1.514   -24.108 -28.943 1 80.487 ? 67  PHE   A HZ   1 c 2 
ATOM   2675 N N    . ASP   B 1 56  ? -2.443  -22.773 -23.142 1 37.787 ? 68  ASP   A N    1 ? 2 
ATOM   2676 C CA   . ASP   B 1 56  ? -3.673  -23.053 -22.437 1 36.81  ? 68  ASP   A CA   1 ? 2 
ATOM   2677 C C    . ASP   B 1 56  ? -4.72   -23.549 -23.42  1 38.909 ? 68  ASP   A C    1 ? 2 
ATOM   2678 O O    . ASP   B 1 56  ? -4.724  -23.167 -24.58  1 37.498 ? 68  ASP   A O    1 ? 2 
ATOM   2679 C CB   . ASP   B 1 56  ? -4.198  -21.835 -21.691 1 35.582 ? 68  ASP   A CB   1 ? 2 
ATOM   2680 C CG   . ASP   B 1 56  ? -5.587  -21.951 -21.058 1 36.743 ? 68  ASP   A CG   1 ? 2 
ATOM   2681 O OD1  . ASP   B 1 56  ? -5.92   -23.016 -20.46  1 43.384 ? 68  ASP   A OD1  1 ? 2 
ATOM   2682 O OD2  . ASP   B 1 56  ? -6.349  -20.991 -21.149 1 33.235 ? 68  ASP   A OD2  1 ? 2 
ATOM   2683 H H    . ASP   B 1 56  ? -2.47   -22.639 -24.046 1 38.154 ? 68  ASP   A H    1 c 2 
ATOM   2684 H HA   . ASP   B 1 56  ? -3.499  -23.765 -21.78  1 39.021 ? 68  ASP   A HA   1 c 2 
ATOM   2685 H HB2  . ASP   B 1 56  ? -3.562  -21.617 -20.978 1 35.835 ? 68  ASP   A HB2  1 c 2 
ATOM   2686 H HB3  . ASP   B 1 56  ? -4.214  -21.079 -22.314 1 34.357 ? 68  ASP   A HB3  1 c 2 
ATOM   2687 N N    . SER   B 1 57  ? -5.645  -24.356 -22.896 1 43.866 ? 69  SER   A N    1 ? 2 
ATOM   2688 C CA   . SER   B 1 57  ? -6.622  -25.074 -23.694 1 49.774 ? 69  SER   A CA   1 ? 2 
ATOM   2689 C C    . SER   B 1 57  ? -7.859  -25.404 -22.857 1 51.634 ? 69  SER   A C    1 ? 2 
ATOM   2690 O O    . SER   B 1 57  ? -7.772  -25.907 -21.728 1 50.601 ? 69  SER   A O    1 ? 2 
ATOM   2691 C CB   . SER   B 1 57  ? -6.03   -26.36  -24.262 1 54.391 ? 69  SER   A CB   1 ? 2 
ATOM   2692 O OG   . SER   B 1 57  ? -6.87   -26.898 -25.276 1 56.378 ? 69  SER   A OG   1 ? 2 
ATOM   2693 H H    . SER   B 1 57  ? -5.66   -24.474 -21.99  1 44.314 ? 69  SER   A H    1 c 2 
ATOM   2694 H HA   . SER   B 1 57  ? -6.897  -24.493 -24.448 1 47.914 ? 69  SER   A HA   1 c 2 
ATOM   2695 H HB2  . SER   B 1 57  ? -5.148  -26.173 -24.636 1 53.9   ? 69  SER   A HB2  1 c 2 
ATOM   2696 H HB3  . SER   B 1 57  ? -5.926  -27.014 -23.545 1 55.696 ? 69  SER   A HB3  1 c 2 
ATOM   2697 H HG   . SER   B 1 57  ? -6.588  -27.565 -25.627 0 30     ? 69  SER   A HG   1 c 2 
ATOM   2698 N N    . SER   B 1 58  ? -9.021  -25.18  -23.474 1 49.672 ? 70  SER   A N    1 ? 2 
ATOM   2699 C CA   . SER   B 1 58  ? -10.264 -25.699 -22.938 1 50.184 ? 70  SER   A CA   1 ? 2 
ATOM   2700 C C    . SER   B 1 58  ? -10.185 -27.215 -22.827 1 53.808 ? 70  SER   A C    1 ? 2 
ATOM   2701 O O    . SER   B 1 58  ? -10.663 -27.762 -21.845 1 61.507 ? 70  SER   A O    1 ? 2 
ATOM   2702 C CB   . SER   B 1 58  ? -11.458 -25.278 -23.754 1 46.905 ? 70  SER   A CB   1 ? 2 
ATOM   2703 O OG   . SER   B 1 58  ? -11.287 -25.583 -25.125 1 45.758 ? 70  SER   A OG   1 ? 2 
ATOM   2704 H H    . SER   B 1 58  ? -9.041  -24.691 -24.245 1 48.725 ? 70  SER   A H    1 c 2 
ATOM   2705 H HA   . SER   B 1 58  ? -10.374 -25.333 -22.024 1 49.513 ? 70  SER   A HA   1 c 2 
ATOM   2706 H HB2  . SER   B 1 58  ? -12.253 -25.733 -23.419 1 48.384 ? 70  SER   A HB2  1 c 2 
ATOM   2707 H HB3  . SER   B 1 58  ? -11.594 -24.317 -23.652 1 45.24  ? 70  SER   A HB3  1 c 2 
ATOM   2708 H HG   . SER   B 1 58  ? -12.017 -25.418 -25.507 0 30     ? 70  SER   A HG   1 c 2 
ATOM   2709 N N    . HIS   B 1 59  ? -9.55   -27.875 -23.799 1 53.648 ? 71  HIS   A N    1 ? 2 
ATOM   2710 C CA   . HIS   B 1 59  ? -9.456  -29.326 -23.802 1 58.511 ? 71  HIS   A CA   1 ? 2 
ATOM   2711 C C    . HIS   B 1 59  ? -9.024  -29.829 -22.423 1 62.951 ? 71  HIS   A C    1 ? 2 
ATOM   2712 O O    . HIS   B 1 59  ? -9.706  -30.675 -21.844 1 64.956 ? 71  HIS   A O    1 ? 2 
ATOM   2713 C CB   . HIS   B 1 59  ? -8.623  -29.769 -25.006 1 59.064 ? 71  HIS   A CB   1 ? 2 
ATOM   2714 C CG   . HIS   B 1 59  ? -9.238  -29.307 -26.289 1 63.65  ? 71  HIS   A CG   1 ? 2 
ATOM   2715 N ND1  . HIS   B 1 59  ? -10.398 -29.868 -26.796 1 69.577 ? 71  HIS   A ND1  1 ? 2 
ATOM   2716 C CD2  . HIS   B 1 59  ? -8.917  -28.303 -27.138 1 63.341 ? 71  HIS   A CD2  1 ? 2 
ATOM   2717 C CE1  . HIS   B 1 59  ? -10.748 -29.231 -27.918 1 67.159 ? 71  HIS   A CE1  1 ? 2 
ATOM   2718 N NE2  . HIS   B 1 59  ? -9.862  -28.277 -28.147 1 63.173 ? 71  HIS   A NE2  1 ? 2 
ATOM   2719 H H    . HIS   B 1 59  ? -9.163  -27.405 -24.481 1 53.136 ? 71  HIS   A H    1 c 2 
ATOM   2720 H HA   . HIS   B 1 59  ? -10.375 -29.656 -23.961 1 59.758 ? 71  HIS   A HA   1 c 2 
ATOM   2721 H HB2  . HIS   B 1 59  ? -7.719  -29.395 -24.926 1 59.372 ? 71  HIS   A HB2  1 c 2 
ATOM   2722 H HB3  . HIS   B 1 59  ? -8.562  -30.749 -25.01  1 63.026 ? 71  HIS   A HB3  1 c 2 
ATOM   2723 H HD1  . HIS   B 1 59  ? -10.86  -30.494 -26.36  0 30     ? 71  HIS   A HD1  1 c 2 
ATOM   2724 H HD2  . HIS   B 1 59  ? -8.184  -27.724 -27.071 1 61.258 ? 71  HIS   A HD2  1 c 2 
ATOM   2725 H HE1  . HIS   B 1 59  ? -11.491 -29.439 -28.46  1 67.997 ? 71  HIS   A HE1  1 c 2 
ATOM   2726 H HE2  . HIS   B 1 59  ? -9.855  -27.749 -28.814 0 30     ? 71  HIS   A HE2  1 c 2 
ATOM   2727 N N    . ASP   B 1 60  ? -7.938  -29.24  -21.897 1 64.481 ? 72  ASP   A N    1 ? 2 
ATOM   2728 C CA   . ASP   B 1 60  ? -7.347  -29.55  -20.601 1 68.016 ? 72  ASP   A CA   1 ? 2 
ATOM   2729 C C    . ASP   B 1 60  ? -8.399  -29.713 -19.511 1 68.659 ? 72  ASP   A C    1 ? 2 
ATOM   2730 O O    . ASP   B 1 60  ? -8.225  -30.513 -18.606 1 78.85  ? 72  ASP   A O    1 ? 2 
ATOM   2731 C CB   . ASP   B 1 60  ? -6.407  -28.454 -20.1   1 69.565 ? 72  ASP   A CB   1 ? 2 
ATOM   2732 C CG   . ASP   B 1 60  ? -5.195  -28.136 -20.968 1 71.629 ? 72  ASP   A CG   1 ? 2 
ATOM   2733 O OD1  . ASP   B 1 60  ? -4.648  -29.107 -21.55  1 68.796 ? 72  ASP   A OD1  1 ? 2 
ATOM   2734 O OD2  . ASP   B 1 60  ? -4.788  -26.929 -21.018 1 71.706 ? 72  ASP   A OD2  1 ? 2 
ATOM   2735 H H    . ASP   B 1 60  ? -7.533  -28.592 -22.399 1 62.407 ? 72  ASP   A H    1 c 2 
ATOM   2736 H HA   . ASP   B 1 60  ? -6.84   -30.389 -20.683 1 70.374 ? 72  ASP   A HA   1 c 2 
ATOM   2737 H HB2  . ASP   B 1 60  ? -6.923  -27.629 -19.988 1 67.261 ? 72  ASP   A HB2  1 c 2 
ATOM   2738 H HB3  . ASP   B 1 60  ? -6.074  -28.716 -19.216 1 70.477 ? 72  ASP   A HB3  1 c 2 
ATOM   2739 N N    . ARG   B 1 61  ? -9.464  -28.924 -19.549 1 68.469 ? 73  ARG   A N    1 ? 2 
ATOM   2740 C CA   . ARG   B 1 61  ? -10.446 -28.956 -18.475 1 73.788 ? 73  ARG   A CA   1 ? 2 
ATOM   2741 C C    . ARG   B 1 61  ? -11.572 -29.981 -18.774 1 78.728 ? 73  ARG   A C    1 ? 2 
ATOM   2742 O O    . ARG   B 1 61  ? -12.46  -30.185 -17.935 1 83.006 ? 73  ARG   A O    1 ? 2 
ATOM   2743 C CB   . ARG   B 1 61  ? -10.786 -27.478 -18.184 1 66.533 ? 73  ARG   A CB   1 ? 2 
ATOM   2744 H H    . ARG   B 1 61  ? -9.585  -28.347 -20.247 1 66.951 ? 73  ARG   A H    1 c 2 
ATOM   2745 H HA   . ARG   B 1 61  ? -9.982  -29.277 -17.66  1 73.93  ? 73  ARG   A HA   1 c 2 
ATOM   2746 H HB2  . ARG   B 1 61  ? -9.807  -27.304 -17.686 0 30     ? 73  ARG   A HB2  1 c 2 
ATOM   2747 H HB3  . ARG   B 1 61  ? -11.636 -27.604 -17.827 0 30     ? 73  ARG   A HB3  1 c 2 
ATOM   2748 N N    . ASN   B 1 62  ? -11.517 -30.684 -19.933 1 73.439 ? 74  ASN   A N    1 ? 2 
ATOM   2749 C CA   . ASN   B 1 62  ? -12.519 -31.668 -20.355 1 71.767 ? 74  ASN   A CA   1 ? 2 
ATOM   2750 C C    . ASN   B 1 62  ? -13.475 -31.043 -21.377 1 69.781 ? 74  ASN   A C    1 ? 2 
ATOM   2751 O O    . ASN   B 1 62  ? -13.62  -31.499 -22.508 1 68.65  ? 74  ASN   A O    1 ? 2 
ATOM   2752 C CB   . ASN   B 1 62  ? -13.307 -32.25  -19.184 1 70.386 ? 74  ASN   A CB   1 ? 2 
ATOM   2753 H H    . ASN   B 1 62  ? -10.802 -30.548 -20.485 1 72.689 ? 74  ASN   A H    1 c 2 
ATOM   2754 H HA   . ASN   B 1 62  ? -12.047 -32.414 -20.79  1 73.455 ? 74  ASN   A HA   1 c 2 
ATOM   2755 H HB2  . ASN   B 1 62  ? -12.977 -33.319 -18.766 0 30     ? 74  ASN   A HB2  1 c 2 
ATOM   2756 H HB3  . ASN   B 1 62  ? -14.465 -32.516 -19.51  0 30     ? 74  ASN   A HB3  1 c 2 
ATOM   2757 N N    . GLU   B 1 63  ? -14.047 -29.913 -20.969 1 65.648 ? 75  GLU   A N    1 ? 2 
ATOM   2758 C CA   . GLU   B 1 63  ? -15.347 -29.44  -21.392 1 62.056 ? 75  GLU   A CA   1 ? 2 
ATOM   2759 C C    . GLU   B 1 63  ? -15.202 -28.079 -22.071 1 57.338 ? 75  GLU   A C    1 ? 2 
ATOM   2760 O O    . GLU   B 1 63  ? -14.118 -27.496 -22.111 1 51.157 ? 75  GLU   A O    1 ? 2 
ATOM   2761 C CB   . GLU   B 1 63  ? -16.115 -29.276 -20.08  1 63.847 ? 75  GLU   A CB   1 ? 2 
ATOM   2762 C CG   . GLU   B 1 63  ? -15.677 -28.018 -19.324 1 61.686 ? 75  GLU   A CG   1 ? 2 
ATOM   2763 C CD   . GLU   B 1 63  ? -15.618 -28.054 -17.804 1 66.233 ? 75  GLU   A CD   1 ? 2 
ATOM   2764 O OE1  . GLU   B 1 63  ? -15.508 -26.959 -17.195 1 59.406 ? 75  GLU   A OE1  1 ? 2 
ATOM   2765 O OE2  . GLU   B 1 63  ? -15.657 -29.175 -17.235 1 77.438 ? 75  GLU   A OE2  1 ? 2 
ATOM   2766 H H    . GLU   B 1 63  ? -13.577 -29.389 -20.387 1 64.046 ? 75  GLU   A H    1 c 2 
ATOM   2767 H HA   . GLU   B 1 63  ? -15.768 -30.099 -22     1 64.44  ? 75  GLU   A HA   1 c 2 
ATOM   2768 H HB2  . GLU   B 1 63  ? -17.074 -29.228 -20.271 1 64.44  ? 75  GLU   A HB2  1 c 2 
ATOM   2769 H HB3  . GLU   B 1 63  ? -15.962 -30.067 -19.523 1 66.305 ? 75  GLU   A HB3  1 c 2 
ATOM   2770 H HG2  . GLU   B 1 63  ? -14.787 -27.76  -19.64  1 60.593 ? 75  GLU   A HG2  1 c 2 
ATOM   2771 H HG3  . GLU   B 1 63  ? -16.28  -27.287 -19.577 1 60.704 ? 75  GLU   A HG3  1 c 2 
ATOM   2772 N N    . PRO   B 1 64  ? -16.303 -27.478 -22.571 1 56.286 ? 76  PRO   A N    1 ? 2 
ATOM   2773 C CA   . PRO   B 1 64  ? -16.225 -26.206 -23.262 1 52.571 ? 76  PRO   A CA   1 ? 2 
ATOM   2774 C C    . PRO   B 1 64  ? -16.071 -25.017 -22.323 1 48.539 ? 76  PRO   A C    1 ? 2 
ATOM   2775 O O    . PRO   B 1 64  ? -16.393 -25.091 -21.13  1 51.575 ? 76  PRO   A O    1 ? 2 
ATOM   2776 C CB   . PRO   B 1 64  ? -17.523 -26.109 -24.053 1 55.02  ? 76  PRO   A CB   1 ? 2 
ATOM   2777 C CG   . PRO   B 1 64  ? -18.293 -27.376 -23.729 1 59.709 ? 76  PRO   A CG   1 ? 2 
ATOM   2778 C CD   . PRO   B 1 64  ? -17.675 -27.991 -22.511 1 61.539 ? 76  PRO   A CD   1 ? 2 
ATOM   2779 H HA   . PRO   B 1 64  ? -15.47  -26.226 -23.887 1 51.839 ? 76  PRO   A HA   1 c 2 
ATOM   2780 H HB2  . PRO   B 1 64  ? -18.033 -25.318 -23.789 1 53.648 ? 76  PRO   A HB2  1 c 2 
ATOM   2781 H HB3  . PRO   B 1 64  ? -17.34  -26.052 -25.011 1 54.386 ? 76  PRO   A HB3  1 c 2 
ATOM   2782 H HG2  . PRO   B 1 64  ? -19.234 -27.168 -23.559 1 60.115 ? 76  PRO   A HG2  1 c 2 
ATOM   2783 H HG3  . PRO   B 1 64  ? -18.249 -28.002 -24.479 1 60.912 ? 76  PRO   A HG3  1 c 2 
ATOM   2784 H HD2  . PRO   B 1 64  ? -18.123 -27.696 -21.694 1 60.833 ? 76  PRO   A HD2  1 c 2 
ATOM   2785 H HD3  . PRO   B 1 64  ? -17.69  -28.966 -22.557 1 63.18  ? 76  PRO   A HD3  1 c 2 
ATOM   2786 N N    . PHE   B 1 65  ? -15.536 -23.942 -22.912 1 42.531 ? 77  PHE   A N    1 ? 2 
ATOM   2787 C CA   . PHE   B 1 65  ? -15.433 -22.653 -22.259 1 41.155 ? 77  PHE   A CA   1 ? 2 
ATOM   2788 C C    . PHE   B 1 65  ? -16.639 -21.785 -22.623 1 36.972 ? 77  PHE   A C    1 ? 2 
ATOM   2789 O O    . PHE   B 1 65  ? -17.004 -21.62  -23.79  1 32.282 ? 77  PHE   A O    1 ? 2 
ATOM   2790 C CB   . PHE   B 1 65  ? -14.137 -21.912 -22.592 1 38.959 ? 77  PHE   A CB   1 ? 2 
ATOM   2791 C CG   . PHE   B 1 65  ? -14.018 -20.585 -21.853 1 38.863 ? 77  PHE   A CG   1 ? 2 
ATOM   2792 C CD1  . PHE   B 1 65  ? -13.909 -20.548 -20.461 1 43.044 ? 77  PHE   A CD1  1 ? 2 
ATOM   2793 C CD2  . PHE   B 1 65  ? -13.963 -19.371 -22.543 1 37.554 ? 77  PHE   A CD2  1 ? 2 
ATOM   2794 C CE1  . PHE   B 1 65  ? -13.79  -19.337 -19.779 1 42.26  ? 77  PHE   A CE1  1 ? 2 
ATOM   2795 C CE2  . PHE   B 1 65  ? -13.845 -18.157 -21.862 1 36.079 ? 77  PHE   A CE2  1 ? 2 
ATOM   2796 C CZ   . PHE   B 1 65  ? -13.777 -18.141 -20.481 1 39.739 ? 77  PHE   A CZ   1 ? 2 
ATOM   2797 H H    . PHE   B 1 65  ? -15.22  -24.02  -23.766 1 43.208 ? 77  PHE   A H    1 c 2 
ATOM   2798 H HA   . PHE   B 1 65  ? -15.447 -22.808 -21.278 1 41.111 ? 77  PHE   A HA   1 c 2 
ATOM   2799 H HB2  . PHE   B 1 65  ? -13.374 -22.484 -22.352 1 39.935 ? 77  PHE   A HB2  1 c 2 
ATOM   2800 H HB3  . PHE   B 1 65  ? -14.107 -21.746 -23.56  1 38.78  ? 77  PHE   A HB3  1 c 2 
ATOM   2801 H HD1  . PHE   B 1 65  ? -13.937 -21.356 -19.973 1 43.739 ? 77  PHE   A HD1  1 c 2 
ATOM   2802 H HD2  . PHE   B 1 65  ? -14.029 -19.372 -23.485 1 37.134 ? 77  PHE   A HD2  1 c 2 
ATOM   2803 H HE1  . PHE   B 1 65  ? -13.737 -19.331 -18.837 1 42.623 ? 77  PHE   A HE1  1 c 2 
ATOM   2804 H HE2  . PHE   B 1 65  ? -13.829 -17.346 -22.346 1 35.804 ? 77  PHE   A HE2  1 c 2 
ATOM   2805 H HZ   . PHE   B 1 65  ? -13.682 -17.322 -20.021 1 38.538 ? 77  PHE   A HZ   1 c 2 
ATOM   2806 N N    . VAL   B 1 66  ? -17.233 -21.235 -21.571 1 37.347 ? 78  VAL   A N    1 ? 2 
ATOM   2807 C CA   . VAL   B 1 66  ? -18.527 -20.595 -21.666 1 39.725 ? 78  VAL   A CA   1 ? 2 
ATOM   2808 C C    . VAL   B 1 66  ? -18.445 -19.225 -21.004 1 39.089 ? 78  VAL   A C    1 ? 2 
ATOM   2809 O O    . VAL   B 1 66  ? -17.896 -19.067 -19.909 1 45.366 ? 78  VAL   A O    1 ? 2 
ATOM   2810 C CB   . VAL   B 1 66  ? -19.616 -21.458 -21.01  1 44.528 ? 78  VAL   A CB   1 ? 2 
ATOM   2811 C CG1  . VAL   B 1 66  ? -20.955 -20.738 -21.046 1 43.688 ? 78  VAL   A CG1  1 ? 2 
ATOM   2812 C CG2  . VAL   B 1 66  ? -19.704 -22.867 -21.614 1 46.068 ? 78  VAL   A CG2  1 ? 2 
ATOM   2813 H H    . VAL   B 1 66  ? -16.813 -21.253 -20.759 1 37.948 ? 78  VAL   A H    1 c 2 
ATOM   2814 H HA   . VAL   B 1 66  ? -18.748 -20.477 -22.606 1 39.33  ? 78  VAL   A HA   1 c 2 
ATOM   2815 H HB   . VAL   B 1 66  ? -19.366 -21.562 -20.062 1 44.349 ? 78  VAL   A HB   1 c 2 
ATOM   2816 H HG11 . VAL   B 1 66  ? -21.082 -20.33  -21.919 1 43.104 ? 78  VAL   A HG11 1 c 2 
ATOM   2817 H HG12 . VAL   B 1 66  ? -20.973 -20.048 -20.361 1 43.574 ? 78  VAL   A HG12 1 c 2 
ATOM   2818 H HG13 . VAL   B 1 66  ? -21.671 -21.374 -20.88  1 46.029 ? 78  VAL   A HG13 1 c 2 
ATOM   2819 H HG21 . VAL   B 1 66  ? -20.499 -23.316 -21.28  1 48.123 ? 78  VAL   A HG21 1 c 2 
ATOM   2820 H HG22 . VAL   B 1 66  ? -18.916 -23.377 -21.364 1 46.407 ? 78  VAL   A HG22 1 c 2 
ATOM   2821 H HG23 . VAL   B 1 66  ? -19.753 -22.802 -22.583 1 45.702 ? 78  VAL   A HG23 1 c 2 
ATOM   2822 N N    . PHE   B 1 67  ? -18.989 -18.222 -21.691 1 37.153 ? 79  PHE   A N    1 ? 2 
ATOM   2823 C CA   . PHE   B 1 67  ? -18.956 -16.854 -21.198 1 33.772 ? 79  PHE   A CA   1 ? 2 
ATOM   2824 C C    . PHE   B 1 67  ? -20.075 -16.058 -21.849 1 32.578 ? 79  PHE   A C    1 ? 2 
ATOM   2825 O O    . PHE   B 1 67  ? -20.659 -16.472 -22.871 1 31.45  ? 79  PHE   A O    1 ? 2 
ATOM   2826 C CB   . PHE   B 1 67  ? -17.604 -16.187 -21.477 1 33.836 ? 79  PHE   A CB   1 ? 2 
ATOM   2827 C CG   . PHE   B 1 67  ? -17.325 -15.816 -22.93  1 32.671 ? 79  PHE   A CG   1 ? 2 
ATOM   2828 C CD1  . PHE   B 1 67  ? -17.051 -16.788 -23.888 1 34.238 ? 79  PHE   A CD1  1 ? 2 
ATOM   2829 C CD2  . PHE   B 1 67  ? -17.303 -14.481 -23.332 1 32.593 ? 79  PHE   A CD2  1 ? 2 
ATOM   2830 C CE1  . PHE   B 1 67  ? -16.781 -16.42  -25.209 1 34.178 ? 79  PHE   A CE1  1 ? 2 
ATOM   2831 C CE2  . PHE   B 1 67  ? -17.04  -14.121 -24.659 1 32.389 ? 79  PHE   A CE2  1 ? 2 
ATOM   2832 C CZ   . PHE   B 1 67  ? -16.779 -15.091 -25.596 1 32.426 ? 79  PHE   A CZ   1 ? 2 
ATOM   2833 H H    . PHE   B 1 67  ? -19.394 -18.392 -22.492 1 37.031 ? 79  PHE   A H    1 c 2 
ATOM   2834 H HA   . PHE   B 1 67  ? -19.106 -16.867 -20.216 1 35.158 ? 79  PHE   A HA   1 c 2 
ATOM   2835 H HB2  . PHE   B 1 67  ? -17.548 -15.372 -20.93  1 33.017 ? 79  PHE   A HB2  1 c 2 
ATOM   2836 H HB3  . PHE   B 1 67  ? -16.894 -16.792 -21.168 1 33.451 ? 79  PHE   A HB3  1 c 2 
ATOM   2837 H HD1  . PHE   B 1 67  ? -17.05  -17.699 -23.643 1 35.018 ? 79  PHE   A HD1  1 c 2 
ATOM   2838 H HD2  . PHE   B 1 67  ? -17.484 -13.806 -22.698 1 32.477 ? 79  PHE   A HD2  1 c 2 
ATOM   2839 H HE1  . PHE   B 1 67  ? -16.606 -17.091 -25.85  1 34.301 ? 79  PHE   A HE1  1 c 2 
ATOM   2840 H HE2  . PHE   B 1 67  ? -17.039 -13.211 -24.908 1 31.691 ? 79  PHE   A HE2  1 c 2 
ATOM   2841 H HZ   . PHE   B 1 67  ? -16.598 -14.854 -26.491 1 32.407 ? 79  PHE   A HZ   1 c 2 
ATOM   2842 N N    . SER   B 1 68  ? -20.378 -14.918 -21.22  1 31.634 ? 80  SER   A N    1 ? 2 
ATOM   2843 C CA   . SER   B 1 68  ? -21.328 -13.971 -21.786 1 30.8   ? 80  SER   A CA   1 ? 2 
ATOM   2844 C C    . SER   B 1 68  ? -20.585 -12.972 -22.664 1 28.038 ? 80  SER   A C    1 ? 2 
ATOM   2845 O O    . SER   B 1 68  ? -19.75  -12.197 -22.181 1 26.193 ? 80  SER   A O    1 ? 2 
ATOM   2846 C CB   . SER   B 1 68  ? -22.084 -13.253 -20.74  1 32.203 ? 80  SER   A CB   1 ? 2 
ATOM   2847 O OG   . SER   B 1 68  ? -23.236 -13.982 -20.381 1 36.22  ? 80  SER   A OG   1 ? 2 
ATOM   2848 H H    . SER   B 1 68  ? -19.982 -14.725 -20.42  1 31.6   ? 80  SER   A H    1 c 2 
ATOM   2849 H HA   . SER   B 1 68  ? -21.971 -14.47  -22.35  1 31.612 ? 80  SER   A HA   1 c 2 
ATOM   2850 H HB2  . SER   B 1 68  ? -21.52  -13.128 -19.958 1 32.454 ? 80  SER   A HB2  1 c 2 
ATOM   2851 H HB3  . SER   B 1 68  ? -22.346 -12.373 -21.072 1 32.363 ? 80  SER   A HB3  1 c 2 
ATOM   2852 H HG   . SER   B 1 68  ? -23.628 -13.634 -19.727 0 30     ? 80  SER   A HG   1 c 2 
ATOM   2853 N N    . LEU   B 1 69  ? -20.951 -12.961 -23.945 1 27.206 ? 81  LEU   A N    1 ? 2 
ATOM   2854 C CA   . LEU   B 1 69  ? -20.27  -12.128 -24.919 1 25.114 ? 81  LEU   A CA   1 ? 2 
ATOM   2855 C C    . LEU   B 1 69  ? -20.503 -10.656 -24.591 1 25.668 ? 81  LEU   A C    1 ? 2 
ATOM   2856 O O    . LEU   B 1 69  ? -21.59  -10.189 -24.208 1 23.546 ? 81  LEU   A O    1 ? 2 
ATOM   2857 C CB   . LEU   B 1 69  ? -20.695 -12.503 -26.338 1 25.36  ? 81  LEU   A CB   1 ? 2 
ATOM   2858 C CG   . LEU   B 1 69  ? -20.036 -11.733 -27.496 1 25.272 ? 81  LEU   A CG   1 ? 2 
ATOM   2859 C CD1  . LEU   B 1 69  ? -18.506 -11.75  -27.65  1 23.453 ? 81  LEU   A CD1  1 ? 2 
ATOM   2860 C CD2  . LEU   B 1 69  ? -20.674 -12.245 -28.765 1 26.226 ? 81  LEU   A CD2  1 ? 2 
ATOM   2861 H H    . LEU   B 1 69  ? -21.647 -13.485 -24.222 1 28.173 ? 81  LEU   A H    1 c 2 
ATOM   2862 H HA   . LEU   B 1 69  ? -19.299 -12.308 -24.83  1 24.456 ? 81  LEU   A HA   1 c 2 
ATOM   2863 H HB2  . LEU   B 1 69  ? -20.515 -13.462 -26.465 1 25.87  ? 81  LEU   A HB2  1 c 2 
ATOM   2864 H HB3  . LEU   B 1 69  ? -21.671 -12.382 -26.405 1 26.647 ? 81  LEU   A HB3  1 c 2 
ATOM   2865 H HG   . LEU   B 1 69  ? -20.301 -10.782 -27.406 1 25.13  ? 81  LEU   A HG   1 c 2 
ATOM   2866 H HD11 . LEU   B 1 69  ? -18.096 -11.418 -26.835 1 23.052 ? 81  LEU   A HD11 1 c 2 
ATOM   2867 H HD12 . LEU   B 1 69  ? -18.25  -11.185 -28.396 1 23.529 ? 81  LEU   A HD12 1 c 2 
ATOM   2868 H HD13 . LEU   B 1 69  ? -18.206 -12.66  -27.816 1 23.639 ? 81  LEU   A HD13 1 c 2 
ATOM   2869 H HD21 . LEU   B 1 69  ? -21.618 -12.014 -28.769 1 27.285 ? 81  LEU   A HD21 1 c 2 
ATOM   2870 H HD22 . LEU   B 1 69  ? -20.577 -13.211 -28.811 1 26.611 ? 81  LEU   A HD22 1 c 2 
ATOM   2871 H HD23 . LEU   B 1 69  ? -20.24  -11.84  -29.534 1 26.091 ? 81  LEU   A HD23 1 c 2 
ATOM   2872 N N    . GLY   B 1 70  ? -19.383 -9.946  -24.698 1 27.367 ? 82  GLY   A N    1 ? 2 
ATOM   2873 C CA   . GLY   B 1 70  ? -19.383 -8.5    -24.632 1 28.826 ? 82  GLY   A CA   1 ? 2 
ATOM   2874 C C    . GLY   B 1 70  ? -19.739 -7.946  -23.259 1 30.739 ? 82  GLY   A C    1 ? 2 
ATOM   2875 O O    . GLY   B 1 70  ? -20.244 -6.832  -23.278 1 31.446 ? 82  GLY   A O    1 ? 2 
ATOM   2876 H H    . GLY   B 1 70  ? -18.587 -10.379 -24.813 1 26.068 ? 82  GLY   A H    1 c 2 
ATOM   2877 H HA2  . GLY   B 1 70  ? -18.492 -8.172  -24.89  1 27.967 ? 82  GLY   A HA2  1 c 2 
ATOM   2878 H HA3  . GLY   B 1 70  ? -20.028 -8.157  -25.294 1 29.361 ? 82  GLY   A HA3  1 c 2 
ATOM   2879 N N    . LYS   B 1 71  ? -19.43  -8.677  -22.147 1 31.26  ? 83  LYS   A N    1 ? 2 
ATOM   2880 C CA   . LYS   B 1 71  ? -19.608 -8.226  -20.766 1 31.881 ? 83  LYS   A CA   1 ? 2 
ATOM   2881 C C    . LYS   B 1 71  ? -18.232 -8.127  -20.091 1 34.819 ? 83  LYS   A C    1 ? 2 
ATOM   2882 O O    . LYS   B 1 71  ? -18.103 -8.093  -18.871 1 36.188 ? 83  LYS   A O    1 ? 2 
ATOM   2883 C CB   . LYS   B 1 71  ? -20.643 -9.164  -20.123 1 32.612 ? 83  LYS   A CB   1 ? 2 
ATOM   2884 H H    . LYS   B 1 71  ? -19.083 -9.513  -22.275 1 30.503 ? 83  LYS   A H    1 c 2 
ATOM   2885 H HA   . LYS   B 1 71  ? -20.001 -7.316  -20.788 1 33.172 ? 83  LYS   A HA   1 c 2 
ATOM   2886 H HB2  . LYS   B 1 71  ? -20.127 -9.887  -19.676 0 30     ? 83  LYS   A HB2  1 c 2 
ATOM   2887 H HB3  . LYS   B 1 71  ? -21.522 -8.869  -20.364 0 30     ? 83  LYS   A HB3  1 c 2 
ATOM   2888 N N    . GLY   B 1 72  ? -17.17  -8.115  -20.914 1 36.32  ? 84  GLY   A N    1 ? 2 
ATOM   2889 C CA   . GLY   B 1 72  ? -15.786 -8.118  -20.459 1 36.414 ? 84  GLY   A CA   1 ? 2 
ATOM   2890 C C    . GLY   B 1 72  ? -15.48  -9.219  -19.451 1 37.24  ? 84  GLY   A C    1 ? 2 
ATOM   2891 O O    . GLY   B 1 72  ? -14.751 -8.987  -18.481 1 38.167 ? 84  GLY   A O    1 ? 2 
ATOM   2892 H H    . GLY   B 1 72  ? -17.318 -8.09   -21.815 1 35.185 ? 84  GLY   A H    1 c 2 
ATOM   2893 H HA2  . GLY   B 1 72  ? -15.196 -8.224  -21.241 1 35.393 ? 84  GLY   A HA2  1 c 2 
ATOM   2894 H HA3  . GLY   B 1 72  ? -15.585 -7.243  -20.051 1 36.795 ? 84  GLY   A HA3  1 c 2 
ATOM   2895 N N    . GLN   B 1 73  ? -16.056 -10.402 -19.706 1 36.274 ? 85  GLN   A N    1 ? 2 
ATOM   2896 C CA   . GLN   B 1 73  ? -15.706 -11.613 -18.976 1 32.966 ? 85  GLN   A CA   1 ? 2 
ATOM   2897 C C    . GLN   B 1 73  ? -14.397 -12.168 -19.523 1 28.798 ? 85  GLN   A C    1 ? 2 
ATOM   2898 O O    . GLN   B 1 73  ? -13.755 -12.967 -18.838 1 27.254 ? 85  GLN   A O    1 ? 2 
ATOM   2899 C CB   . GLN   B 1 73  ? -16.864 -12.593 -19.079 1 33.256 ? 85  GLN   A CB   1 ? 2 
ATOM   2900 C CG   . GLN   B 1 73  ? -18.116 -12.1   -18.356 1 35.653 ? 85  GLN   A CG   1 ? 2 
ATOM   2901 C CD   . GLN   B 1 73  ? -19.22  -13.13  -18.364 1 36.785 ? 85  GLN   A CD   1 ? 2 
ATOM   2902 O OE1  . GLN   B 1 73  ? -19.031 -14.267 -18.82  1 41.013 ? 85  GLN   A OE1  1 ? 2 
ATOM   2903 N NE2  . GLN   B 1 73  ? -20.381 -12.739 -17.871 1 35.681 ? 85  GLN   A NE2  1 ? 2 
ATOM   2904 H H    . GLN   B 1 73  ? -16.687 -10.458 -20.364 1 35.478 ? 85  GLN   A H    1 c 2 
ATOM   2905 H HA   . GLN   B 1 73  ? -15.576 -11.377 -18.023 1 33.711 ? 85  GLN   A HA   1 c 2 
ATOM   2906 H HB2  . GLN   B 1 73  ? -17.076 -12.742 -20.024 1 33.097 ? 85  GLN   A HB2  1 c 2 
ATOM   2907 H HB3  . GLN   B 1 73  ? -16.588 -13.451 -18.695 1 34.061 ? 85  GLN   A HB3  1 c 2 
ATOM   2908 H HG2  . GLN   B 1 73  ? -17.89  -11.881 -17.427 1 36.1   ? 85  GLN   A HG2  1 c 2 
ATOM   2909 H HG3  . GLN   B 1 73  ? -18.441 -11.282 -18.788 1 35.164 ? 85  GLN   A HG3  1 c 2 
ATOM   2910 H HE21 . GLN   B 1 73  ? -20.962 -13.342 -17.578 1 37.738 ? 85  GLN   A HE21 1 c 2 
ATOM   2911 H HE22 . GLN   B 1 73  ? -20.579 -11.875 -17.834 1 36.515 ? 85  GLN   A HE22 1 c 2 
ATOM   2912 N N    . VAL   B 1 74  ? -14.029 -11.679 -20.733 1 25.053 ? 86  VAL   A N    1 ? 2 
ATOM   2913 C CA   . VAL   B 1 74  ? -12.797 -12.026 -21.405 1 23.675 ? 86  VAL   A CA   1 ? 2 
ATOM   2914 C C    . VAL   B 1 74  ? -12.09  -10.763 -21.832 1 21.297 ? 86  VAL   A C    1 ? 2 
ATOM   2915 O O    . VAL   B 1 74  ? -12.633 -9.684  -21.814 1 23.543 ? 86  VAL   A O    1 ? 2 
ATOM   2916 C CB   . VAL   B 1 74  ? -13.084 -12.881 -22.643 1 27.75  ? 86  VAL   A CB   1 ? 2 
ATOM   2917 C CG1  . VAL   B 1 74  ? -13.648 -14.233 -22.215 1 30.065 ? 86  VAL   A CG1  1 ? 2 
ATOM   2918 C CG2  . VAL   B 1 74  ? -14.016 -12.183 -23.662 1 28.016 ? 86  VAL   A CG2  1 ? 2 
ATOM   2919 H H    . VAL   B 1 74  ? -14.595 -11.102 -21.158 1 25.73  ? 86  VAL   A H    1 c 2 
ATOM   2920 H HA   . VAL   B 1 74  ? -12.224 -12.526 -20.792 1 24.337 ? 86  VAL   A HA   1 c 2 
ATOM   2921 H HB   . VAL   B 1 74  ? -12.221 -13.046 -23.089 1 26.686 ? 86  VAL   A HB   1 c 2 
ATOM   2922 H HG11 . VAL   B 1 74  ? -14.512 -14.105 -21.788 1 30.22  ? 86  VAL   A HG11 1 c 2 
ATOM   2923 H HG12 . VAL   B 1 74  ? -13.037 -14.656 -21.589 1 29.885 ? 86  VAL   A HG12 1 c 2 
ATOM   2924 H HG13 . VAL   B 1 74  ? -13.756 -14.801 -22.996 1 29.764 ? 86  VAL   A HG13 1 c 2 
ATOM   2925 H HG21 . VAL   B 1 74  ? -14.251 -12.809 -24.366 1 27.974 ? 86  VAL   A HG21 1 c 2 
ATOM   2926 H HG22 . VAL   B 1 74  ? -13.562 -11.418 -24.05  1 27.322 ? 86  VAL   A HG22 1 c 2 
ATOM   2927 H HG23 . VAL   B 1 74  ? -14.825 -11.886 -23.215 1 28.293 ? 86  VAL   A HG23 1 c 2 
ATOM   2928 N N    . ILE   B 1 75  ? -10.864 -10.905 -22.264 1 20.001 ? 87  ILE   A N    1 ? 2 
ATOM   2929 C CA   . ILE   B 1 75  ? -10.2   -9.775  -22.876 1 19.582 ? 87  ILE   A CA   1 ? 2 
ATOM   2930 C C    . ILE   B 1 75  ? -10.997 -9.265  -24.095 1 19.921 ? 87  ILE   A C    1 ? 2 
ATOM   2931 O O    . ILE   B 1 75  ? -11.669 -10.045 -24.776 1 20.277 ? 87  ILE   A O    1 ? 2 
ATOM   2932 C CB   . ILE   B 1 75  ? -8.782  -10.189 -23.233 1 18.969 ? 87  ILE   A CB   1 ? 2 
ATOM   2933 C CG1  . ILE   B 1 75  ? -8.776  -11.351 -24.192 1 18.465 ? 87  ILE   A CG1  1 ? 2 
ATOM   2934 C CG2  . ILE   B 1 75  ? -7.969  -10.496 -21.975 1 20.1   ? 87  ILE   A CG2  1 ? 2 
ATOM   2935 C CD1  . ILE   B 1 75  ? -7.398  -11.677 -24.719 1 18.29  ? 87  ILE   A CD1  1 ? 2 
ATOM   2936 H H    . ILE   B 1 75  ? -10.427 -11.702 -22.17  1 20.178 ? 87  ILE   A H    1 c 2 
ATOM   2937 H HA   . ILE   B 1 75  ? -10.151 -9.055  -22.216 1 19.934 ? 87  ILE   A HA   1 c 2 
ATOM   2938 H HB   . ILE   B 1 75  ? -8.358  -9.433  -23.685 1 19.137 ? 87  ILE   A HB   1 c 2 
ATOM   2939 H HG12 . ILE   B 1 75  ? -9.134  -12.141 -23.739 1 18.685 ? 87  ILE   A HG12 1 c 2 
ATOM   2940 H HG13 . ILE   B 1 75  ? -9.361  -11.145 -24.948 1 18.471 ? 87  ILE   A HG13 1 c 2 
ATOM   2941 H HG21 . ILE   B 1 75  ? -7.02   -10.475 -22.186 1 19.876 ? 87  ILE   A HG21 1 c 2 
ATOM   2942 H HG22 . ILE   B 1 75  ? -8.203  -11.379 -21.641 1 20.022 ? 87  ILE   A HG22 1 c 2 
ATOM   2943 H HG23 . ILE   B 1 75  ? -8.161  -9.832  -21.291 1 20.182 ? 87  ILE   A HG23 1 c 2 
ATOM   2944 H HD11 . ILE   B 1 75  ? -6.984  -10.869 -25.075 1 18.395 ? 87  ILE   A HD11 1 c 2 
ATOM   2945 H HD12 . ILE   B 1 75  ? -7.472  -12.342 -25.43  1 18.53  ? 87  ILE   A HD12 1 c 2 
ATOM   2946 H HD13 . ILE   B 1 75  ? -6.844  -12.035 -24     1 18.558 ? 87  ILE   A HD13 1 c 2 
ATOM   2947 N N    . LYS   B 1 76  ? -10.864 -7.949  -24.357 1 18.888 ? 88  LYS   A N    1 ? 2 
ATOM   2948 C CA   . LYS   B 1 76  ? -11.621 -7.22   -25.358 1 19.624 ? 88  LYS   A CA   1 ? 2 
ATOM   2949 C C    . LYS   B 1 76  ? -11.445 -7.909  -26.711 1 18.569 ? 88  LYS   A C    1 ? 2 
ATOM   2950 O O    . LYS   B 1 76  ? -12.353 -7.911  -27.521 1 19.363 ? 88  LYS   A O    1 ? 2 
ATOM   2951 C CB   . LYS   B 1 76  ? -11.26  -5.725  -25.527 1 19.558 ? 88  LYS   A CB   1 ? 2 
ATOM   2952 H H    . LYS   B 1 76  ? -10.249 -7.482  -23.868 1 19.42  ? 88  LYS   A H    1 c 2 
ATOM   2953 H HA   . LYS   B 1 76  ? -12.579 -7.272  -25.11  1 19.469 ? 88  LYS   A HA   1 c 2 
ATOM   2954 H HB2  . LYS   B 1 76  ? -10.286 -5.658  -25.499 0 30     ? 88  LYS   A HB2  1 c 2 
ATOM   2955 H HB3  . LYS   B 1 76  ? -12.091 -5.214  -25.535 0 30     ? 88  LYS   A HB3  1 c 2 
ATOM   2956 N N    . ALA   B 1 77  ? -10.303 -8.515  -26.96  1 17.182 ? 89  ALA   A N    1 ? 2 
ATOM   2957 C CA   . ALA   B 1 77  ? -10.111 -9.105  -28.269 1 18.597 ? 89  ALA   A CA   1 ? 2 
ATOM   2958 C C    . ALA   B 1 77  ? -11.03  -10.298 -28.482 1 19.638 ? 89  ALA   A C    1 ? 2 
ATOM   2959 O O    . ALA   B 1 77  ? -11.295 -10.697 -29.605 1 18.568 ? 89  ALA   A O    1 ? 2 
ATOM   2960 C CB   . ALA   B 1 77  ? -8.704  -9.524  -28.43  1 19.356 ? 89  ALA   A CB   1 ? 2 
ATOM   2961 H H    . ALA   B 1 77  ? -9.633  -8.551  -26.339 1 17.53  ? 89  ALA   A H    1 c 2 
ATOM   2962 H HA   . ALA   B 1 77  ? -10.326 -8.417  -28.958 1 19.192 ? 89  ALA   A HA   1 c 2 
ATOM   2963 H HB1  . ALA   B 1 77  ? -8.121  -8.749  -28.361 1 19.352 ? 89  ALA   A HB1  1 c 2 
ATOM   2964 H HB2  . ALA   B 1 77  ? -8.471  -10.164 -27.736 1 18.794 ? 89  ALA   A HB2  1 c 2 
ATOM   2965 H HB3  . ALA   B 1 77  ? -8.586  -9.938  -29.3   1 19.596 ? 89  ALA   A HB3  1 c 2 
ATOM   2966 N N    . TRP   B 1 78  ? -11.479 -10.925 -27.396 1 20.856 ? 90  TRP   A N    1 ? 2 
ATOM   2967 C CA   . TRP   B 1 78  ? -12.358 -12.05  -27.604 1 21.333 ? 90  TRP   A CA   1 ? 2 
ATOM   2968 C C    . TRP   B 1 78  ? -13.76  -11.521 -27.834 1 22.64  ? 90  TRP   A C    1 ? 2 
ATOM   2969 O O    . TRP   B 1 78  ? -14.44  -11.967 -28.759 1 25.166 ? 90  TRP   A O    1 ? 2 
ATOM   2970 C CB   . TRP   B 1 78  ? -12.332 -13     -26.423 1 21.892 ? 90  TRP   A CB   1 ? 2 
ATOM   2971 C CG   . TRP   B 1 78  ? -11.311 -14.093 -26.523 1 21.429 ? 90  TRP   A CG   1 ? 2 
ATOM   2972 C CD1  . TRP   B 1 78  ? -9.998  -14.016 -26.864 1 21.587 ? 90  TRP   A CD1  1 ? 2 
ATOM   2973 C CD2  . TRP   B 1 78  ? -11.57  -15.477 -26.267 1 22.946 ? 90  TRP   A CD2  1 ? 2 
ATOM   2974 N NE1  . TRP   B 1 78  ? -9.431  -15.257 -26.864 1 22.855 ? 90  TRP   A NE1  1 ? 2 
ATOM   2975 C CE2  . TRP   B 1 78  ? -10.364 -16.175 -26.484 1 23.296 ? 90  TRP   A CE2  1 ? 2 
ATOM   2976 C CE3  . TRP   B 1 78  ? -12.7   -16.184 -25.876 1 25.002 ? 90  TRP   A CE3  1 ? 2 
ATOM   2977 C CZ2  . TRP   B 1 78  ? -10.26  -17.548 -26.341 1 24.228 ? 90  TRP   A CZ2  1 ? 2 
ATOM   2978 C CZ3  . TRP   B 1 78  ? -12.6   -17.555 -25.733 1 26.951 ? 90  TRP   A CZ3  1 ? 2 
ATOM   2979 C CH2  . TRP   B 1 78  ? -11.395 -18.222 -25.958 1 25.9   ? 90  TRP   A CH2  1 ? 2 
ATOM   2980 H H    . TRP   B 1 78  ? -11.234 -10.676 -26.552 1 20.166 ? 90  TRP   A H    1 c 2 
ATOM   2981 H HA   . TRP   B 1 78  ? -12.063 -12.546 -28.415 1 21.907 ? 90  TRP   A HA   1 c 2 
ATOM   2982 H HB2  . TRP   B 1 78  ? -12.158 -12.482 -25.61  1 21.344 ? 90  TRP   A HB2  1 c 2 
ATOM   2983 H HB3  . TRP   B 1 78  ? -13.22  -13.407 -26.332 1 22.104 ? 90  TRP   A HB3  1 c 2 
ATOM   2984 H HD1  . TRP   B 1 78  ? -9.543  -13.224 -27.102 1 21.36  ? 90  TRP   A HD1  1 c 2 
ATOM   2985 H HE1  . TRP   B 1 78  ? -8.603  -15.429 -27.048 1 22.772 ? 90  TRP   A HE1  1 c 2 
ATOM   2986 H HE3  . TRP   B 1 78  ? -13.517 -15.739 -25.724 1 24.842 ? 90  TRP   A HE3  1 c 2 
ATOM   2987 H HZ2  . TRP   B 1 78  ? -9.448  -17.997 -26.496 1 24.876 ? 90  TRP   A HZ2  1 c 2 
ATOM   2988 H HZ3  . TRP   B 1 78  ? -13.357 -18.048 -25.463 1 27.221 ? 90  TRP   A HZ3  1 c 2 
ATOM   2989 H HH2  . TRP   B 1 78  ? -11.357 -19.153 -25.843 1 27.014 ? 90  TRP   A HH2  1 c 2 
ATOM   2990 N N    . ASP   B 1 79  ? -14.165 -10.581 -26.981 1 20.677 ? 91  ASP   A N    1 ? 2 
ATOM   2991 C CA   . ASP   B 1 79  ? -15.435 -9.926  -27.165 1 21.525 ? 91  ASP   A CA   1 ? 2 
ATOM   2992 C C    . ASP   B 1 79  ? -15.552 -9.441  -28.6   1 23.687 ? 91  ASP   A C    1 ? 2 
ATOM   2993 O O    . ASP   B 1 79  ? -16.586 -9.62   -29.209 1 24.068 ? 91  ASP   A O    1 ? 2 
ATOM   2994 C CB   . ASP   B 1 79  ? -15.63  -8.845  -26.128 1 21.67  ? 91  ASP   A CB   1 ? 2 
ATOM   2995 C CG   . ASP   B 1 79  ? -16.137 -9.387  -24.793 1 23.809 ? 91  ASP   A CG   1 ? 2 
ATOM   2996 O OD1  . ASP   B 1 79  ? -16.633 -10.533 -24.797 1 23.129 ? 91  ASP   A OD1  1 ? 2 
ATOM   2997 O OD2  . ASP   B 1 79  ? -15.981 -8.692  -23.746 1 25.683 ? 91  ASP   A OD2  1 ? 2 
ATOM   2998 H H    . ASP   B 1 79  ? -13.644 -10.355 -26.265 1 20.78  ? 91  ASP   A H    1 c 2 
ATOM   2999 H HA   . ASP   B 1 79  ? -16.135 -10.595 -27.022 1 22.186 ? 91  ASP   A HA   1 c 2 
ATOM   3000 H HB2  . ASP   B 1 79  ? -14.781 -8.38   -25.976 1 21.697 ? 91  ASP   A HB2  1 c 2 
ATOM   3001 H HB3  . ASP   B 1 79  ? -16.28  -8.192  -26.462 1 22.671 ? 91  ASP   A HB3  1 c 2 
ATOM   3002 N N    . ILE   B 1 80  ? -14.486 -8.842  -29.142 1 26.792 ? 92  ILE   A N    1 ? 2 
ATOM   3003 C CA   . ILE   B 1 80  ? -14.46  -8.424  -30.539 1 29.39  ? 92  ILE   A CA   1 ? 2 
ATOM   3004 C C    . ILE   B 1 80  ? -14.552 -9.635  -31.47  1 26.042 ? 92  ILE   A C    1 ? 2 
ATOM   3005 O O    . ILE   B 1 80  ? -15.42  -9.656  -32.302 1 24.888 ? 92  ILE   A O    1 ? 2 
ATOM   3006 C CB   . ILE   B 1 80  ? -13.233 -7.524  -30.856 1 31.946 ? 92  ILE   A CB   1 ? 2 
ATOM   3007 C CG1  . ILE   B 1 80  ? -13.358 -6.168  -30.139 1 31.067 ? 92  ILE   A CG1  1 ? 2 
ATOM   3008 C CG2  . ILE   B 1 80  ? -13.059 -7.313  -32.377 1 33.888 ? 92  ILE   A CG2  1 ? 2 
ATOM   3009 C CD1  . ILE   B 1 80  ? -12.051 -5.38   -30.074 1 31.683 ? 92  ILE   A CD1  1 ? 2 
ATOM   3010 H H    . ILE   B 1 80  ? -13.751 -8.682  -28.623 1 25.733 ? 92  ILE   A H    1 c 2 
ATOM   3011 H HA   . ILE   B 1 80  ? -15.259 -7.881  -30.69  1 29.234 ? 92  ILE   A HA   1 c 2 
ATOM   3012 H HB   . ILE   B 1 80  ? -12.433 -7.973  -30.516 1 30.757 ? 92  ILE   A HB   1 c 2 
ATOM   3013 H HG12 . ILE   B 1 80  ? -14.029 -5.627  -30.604 1 32.27  ? 92  ILE   A HG12 1 c 2 
ATOM   3014 H HG13 . ILE   B 1 80  ? -13.679 -6.321  -29.227 1 30.818 ? 92  ILE   A HG13 1 c 2 
ATOM   3015 H HG21 . ILE   B 1 80  ? -12.437 -6.585  -32.538 1 34.023 ? 92  ILE   A HG21 1 c 2 
ATOM   3016 H HG22 . ILE   B 1 80  ? -13.919 -7.096  -32.776 1 34.385 ? 92  ILE   A HG22 1 c 2 
ATOM   3017 H HG23 . ILE   B 1 80  ? -12.712 -8.126  -32.782 1 33.65  ? 92  ILE   A HG23 1 c 2 
ATOM   3018 H HD11 . ILE   B 1 80  ? -11.351 -5.942  -29.692 1 30.818 ? 92  ILE   A HD11 1 c 2 
ATOM   3019 H HD12 . ILE   B 1 80  ? -12.174 -4.591  -29.514 1 31.821 ? 92  ILE   A HD12 1 c 2 
ATOM   3020 H HD13 . ILE   B 1 80  ? -11.788 -5.101  -30.972 1 32.337 ? 92  ILE   A HD13 1 c 2 
ATOM   3021 N N    . GLY   B 1 81  ? -13.682 -10.636 -31.301 1 26.428 ? 93  GLY   A N    1 ? 2 
ATOM   3022 C CA   . GLY   B 1 81  ? -13.367 -11.571 -32.37  1 27.042 ? 93  GLY   A CA   1 ? 2 
ATOM   3023 C C    . GLY   B 1 81  ? -14.444 -12.629 -32.476 1 28.766 ? 93  GLY   A C    1 ? 2 
ATOM   3024 O O    . GLY   B 1 81  ? -14.976 -12.937 -33.558 1 28.24  ? 93  GLY   A O    1 ? 2 
ATOM   3025 H H    . GLY   B 1 81  ? -13.265 -10.735 -30.494 1 25.427 ? 93  GLY   A H    1 c 2 
ATOM   3026 H HA2  . GLY   B 1 81  ? -13.295 -11.081 -33.223 1 28.063 ? 93  GLY   A HA2  1 c 2 
ATOM   3027 H HA3  . GLY   B 1 81  ? -12.497 -11.997 -32.185 1 26.988 ? 93  GLY   A HA3  1 c 2 
ATOM   3028 N N    . VAL   B 1 82  ? -14.764 -13.135 -31.287 1 29.218 ? 94  VAL   A N    1 ? 2 
ATOM   3029 C CA   . VAL   B 1 82  ? -15.787 -14.143 -31.137 1 30.602 ? 94  VAL   A CA   1 ? 2 
ATOM   3030 C C    . VAL   B 1 82  ? -17.069 -13.599 -31.722 1 31.42  ? 94  VAL   A C    1 ? 2 
ATOM   3031 O O    . VAL   B 1 82  ? -17.775 -14.338 -32.383 1 35.889 ? 94  VAL   A O    1 ? 2 
ATOM   3032 C CB   . VAL   B 1 82  ? -16.066 -14.594 -29.701 1 31.453 ? 94  VAL   A CB   1 ? 2 
ATOM   3033 C CG1  . VAL   B 1 82  ? -17.223 -15.584 -29.655 1 32.479 ? 94  VAL   A CG1  1 ? 2 
ATOM   3034 C CG2  . VAL   B 1 82  ? -14.843 -15.227 -29.079 1 30.404 ? 94  VAL   A CG2  1 ? 2 
ATOM   3035 H H    . VAL   B 1 82  ? -14.323 -12.845 -30.541 1 28.181 ? 94  VAL   A H    1 c 2 
ATOM   3036 H HA   . VAL   B 1 82  ? -15.519 -14.925 -31.658 1 31.442 ? 94  VAL   A HA   1 c 2 
ATOM   3037 H HB   . VAL   B 1 82  ? -16.312 -13.795 -29.179 1 30.478 ? 94  VAL   A HB   1 c 2 
ATOM   3038 H HG11 . VAL   B 1 82  ? -17.185 -16.165 -30.434 1 33.464 ? 94  VAL   A HG11 1 c 2 
ATOM   3039 H HG12 . VAL   B 1 82  ? -18.066 -15.101 -29.652 1 32.897 ? 94  VAL   A HG12 1 c 2 
ATOM   3040 H HG13 . VAL   B 1 82  ? -17.157 -16.122 -28.849 1 32.605 ? 94  VAL   A HG13 1 c 2 
ATOM   3041 H HG21 . VAL   B 1 82  ? -15.04  -15.486 -28.163 1 30.432 ? 94  VAL   A HG21 1 c 2 
ATOM   3042 H HG22 . VAL   B 1 82  ? -14.108 -14.591 -29.082 1 29.74  ? 94  VAL   A HG22 1 c 2 
ATOM   3043 H HG23 . VAL   B 1 82  ? -14.589 -16.015 -29.589 1 31.236 ? 94  VAL   A HG23 1 c 2 
ATOM   3044 N N    . ALA   B 1 83  ? -17.349 -12.323 -31.484 1 28.473 ? 95  ALA   A N    1 ? 2 
ATOM   3045 C CA   . ALA   B 1 83  ? -18.536 -11.73  -32.058 1 28.935 ? 95  ALA   A CA   1 ? 2 
ATOM   3046 C C    . ALA   B 1 83  ? -18.519 -11.698 -33.589 1 31.534 ? 95  ALA   A C    1 ? 2 
ATOM   3047 O O    . ALA   B 1 83  ? -19.563 -11.476 -34.184 1 32.973 ? 95  ALA   A O    1 ? 2 
ATOM   3048 C CB   . ALA   B 1 83  ? -18.698 -10.345 -31.527 1 29.222 ? 95  ALA   A CB   1 ? 2 
ATOM   3049 H H    . ALA   B 1 83  ? -16.805 -11.817 -30.951 1 27.999 ? 95  ALA   A H    1 c 2 
ATOM   3050 H HA   . ALA   B 1 83  ? -19.32  -12.274 -31.772 1 30.043 ? 95  ALA   A HA   1 c 2 
ATOM   3051 H HB1  . ALA   B 1 83  ? -18.736 -10.369 -30.557 1 28.294 ? 95  ALA   A HB1  1 c 2 
ATOM   3052 H HB2  . ALA   B 1 83  ? -17.945 -9.798  -31.805 1 28.605 ? 95  ALA   A HB2  1 c 2 
ATOM   3053 H HB3  . ALA   B 1 83  ? -19.52  -9.957  -31.871 1 29.941 ? 95  ALA   A HB3  1 c 2 
ATOM   3054 N N    . THR   B 1 84  ? -17.38  -11.902 -34.266 1 31.482 ? 96  THR   A N    1 ? 2 
ATOM   3055 C CA   . THR   B 1 84  ? -17.458 -11.994 -35.716 1 32.056 ? 96  THR   A CA   1 ? 2 
ATOM   3056 C C    . THR   B 1 84  ? -17.58  -13.436 -36.18  1 33.528 ? 96  THR   A C    1 ? 2 
ATOM   3057 O O    . THR   B 1 84  ? -17.359 -13.627 -37.338 1 39.683 ? 96  THR   A O    1 ? 2 
ATOM   3058 C CB   . THR   B 1 84  ? -16.218 -11.385 -36.344 1 31.507 ? 96  THR   A CB   1 ? 2 
ATOM   3059 O OG1  . THR   B 1 84  ? -15.241 -12.421 -36.176 1 32.35  ? 96  THR   A OG1  1 ? 2 
ATOM   3060 C CG2  . THR   B 1 84  ? -15.849 -10.066 -35.688 1 29.29  ? 96  THR   A CG2  1 ? 2 
ATOM   3061 H H    . THR   B 1 84  ? -16.574 -11.971 -33.843 1 30.203 ? 96  THR   A H    1 c 2 
ATOM   3062 H HA   . THR   B 1 84  ? -18.243 -11.492 -36.025 1 33.096 ? 96  THR   A HA   1 c 2 
ATOM   3063 H HB   . THR   B 1 84  ? -16.372 -11.233 -37.307 1 33.164 ? 96  THR   A HB   1 c 2 
ATOM   3064 H HG1  . THR   B 1 84  ? -15.154 -12.607 -35.379 0 30     ? 96  THR   A HG1  1 c 2 
ATOM   3065 H HG21 . THR   B 1 84  ? -15.298 -9.544  -36.296 1 30.216 ? 96  THR   A HG21 1 c 2 
ATOM   3066 H HG22 . THR   B 1 84  ? -15.353 -10.237 -34.87  1 28.328 ? 96  THR   A HG22 1 c 2 
ATOM   3067 H HG23 . THR   B 1 84  ? -16.658 -9.569  -35.478 1 29.797 ? 96  THR   A HG23 1 c 2 
ATOM   3068 N N    . MET   B 1 85  ? -17.901 -14.429 -35.338 1 33.536 ? 97  MET   A N    1 ? 2 
ATOM   3069 C CA   . MET   B 1 85  ? -17.789 -15.836 -35.71  1 36.036 ? 97  MET   A CA   1 ? 2 
ATOM   3070 C C    . MET   B 1 85  ? -19.174 -16.482 -35.819 1 38.916 ? 97  MET   A C    1 ? 2 
ATOM   3071 O O    . MET   B 1 85  ? -20.109 -16.003 -35.198 1 37.818 ? 97  MET   A O    1 ? 2 
ATOM   3072 C CB   . MET   B 1 85  ? -16.998 -16.668 -34.683 1 35.331 ? 97  MET   A CB   1 ? 2 
ATOM   3073 C CG   . MET   B 1 85  ? -15.507 -16.333 -34.562 1 35.887 ? 97  MET   A CG   1 ? 2 
ATOM   3074 S SD   . MET   B 1 85  ? -14.529 -17.348 -33.416 1 34.948 ? 97  MET   A SD   1 ? 2 
ATOM   3075 C CE   . MET   B 1 85  ? -14.794 -19.005 -34.08  1 38.505 ? 97  MET   A CE   1 ? 2 
ATOM   3076 H H    . MET   B 1 85  ? -18.207 -14.224 -34.502 1 32.796 ? 97  MET   A H    1 c 2 
ATOM   3077 H HA   . MET   B 1 85  ? -17.344 -15.893 -36.59  1 37.055 ? 97  MET   A HA   1 c 2 
ATOM   3078 H HB2  . MET   B 1 85  ? -17.417 -16.551 -33.804 1 34.848 ? 97  MET   A HB2  1 c 2 
ATOM   3079 H HB3  . MET   B 1 85  ? -17.086 -17.615 -34.925 1 36.923 ? 97  MET   A HB3  1 c 2 
ATOM   3080 H HG2  . MET   B 1 85  ? -15.101 -16.405 -35.447 1 36.378 ? 97  MET   A HG2  1 c 2 
ATOM   3081 H HG3  . MET   B 1 85  ? -15.423 -15.401 -34.282 1 34.296 ? 97  MET   A HG3  1 c 2 
ATOM   3082 H HE1  . MET   B 1 85  ? -14.284 -19.65  -33.556 1 38.24  ? 97  MET   A HE1  1 c 2 
ATOM   3083 H HE2  . MET   B 1 85  ? -15.742 -19.227 -34.033 1 38.945 ? 97  MET   A HE2  1 c 2 
ATOM   3084 H HE3  . MET   B 1 85  ? -14.498 -19.034 -35.009 1 39.285 ? 97  MET   A HE3  1 c 2 
ATOM   3085 N N    . LYS   B 1 86  ? -19.277 -17.589 -36.59  1 42.377 ? 98  LYS   A N    1 ? 2 
ATOM   3086 C CA   . LYS   B 1 86  ? -20.502 -18.367 -36.785 1 45.27  ? 98  LYS   A CA   1 ? 2 
ATOM   3087 C C    . LYS   B 1 86  ? -20.453 -19.725 -36.063 1 42.482 ? 98  LYS   A C    1 ? 2 
ATOM   3088 O O    . LYS   B 1 86  ? -19.372 -20.266 -35.835 1 40.183 ? 98  LYS   A O    1 ? 2 
ATOM   3089 C CB   . LYS   B 1 86  ? -20.716 -18.609 -38.288 1 51.709 ? 98  LYS   A CB   1 ? 2 
ATOM   3090 C CG   . LYS   B 1 86  ? -20.791 -17.341 -39.114 1 55.665 ? 98  LYS   A CG   1 ? 2 
ATOM   3091 C CD   . LYS   B 1 86  ? -20.744 -17.55  -40.62  1 60.763 ? 98  LYS   A CD   1 ? 2 
ATOM   3092 C CE   . LYS   B 1 86  ? -20.749 -16.24  -41.351 1 63.751 ? 98  LYS   A CE   1 ? 2 
ATOM   3093 N NZ   . LYS   B 1 86  ? -21.519 -16.393 -42.585 1 72.063 ? 98  LYS   A NZ   1 ? 2 
ATOM   3094 H H    . LYS   B 1 86  ? -18.524 -17.872 -37.024 1 42.457 ? 98  LYS   A H    1 c 2 
ATOM   3095 H HA   . LYS   B 1 86  ? -21.267 -17.845 -36.432 1 44.7   ? 98  LYS   A HA   1 c 2 
ATOM   3096 H HB2  . LYS   B 1 86  ? -19.979 -19.161 -38.628 1 52.209 ? 98  LYS   A HB2  1 c 2 
ATOM   3097 H HB3  . LYS   B 1 86  ? -21.549 -19.112 -38.412 1 53.337 ? 98  LYS   A HB3  1 c 2 
ATOM   3098 H HG2  . LYS   B 1 86  ? -21.624 -16.873 -38.887 1 55.188 ? 98  LYS   A HG2  1 c 2 
ATOM   3099 H HG3  . LYS   B 1 86  ? -20.045 -16.757 -38.855 1 53.455 ? 98  LYS   A HG3  1 c 2 
ATOM   3100 H HD2  . LYS   B 1 86  ? -19.93  -18.047 -40.853 1 61.15  ? 98  LYS   A HD2  1 c 2 
ATOM   3101 H HD3  . LYS   B 1 86  ? -21.522 -18.081 -40.898 1 62.827 ? 98  LYS   A HD3  1 c 2 
ATOM   3102 H HE2  . LYS   B 1 86  ? -21.155 -15.545 -40.802 1 62.829 ? 98  LYS   A HE2  1 c 2 
ATOM   3103 H HE3  . LYS   B 1 86  ? -19.838 -15.973 -41.569 1 63.593 ? 98  LYS   A HE3  1 c 2 
ATOM   3104 H HZ1  . LYS   B 1 86  ? -22.394 -16.518 -42.388 1 70.999 ? 98  LYS   A HZ1  1 c 2 
ATOM   3105 H HZ2  . LYS   B 1 86  ? -21.213 -17.105 -43.054 1 71.807 ? 98  LYS   A HZ2  1 c 2 
ATOM   3106 H HZ3  . LYS   B 1 86  ? -21.433 -15.647 -43.092 1 70.877 ? 98  LYS   A HZ3  1 c 2 
ATOM   3107 N N    . LYS   B 1 87  ? -21.647 -20.263 -35.729 1 41.714 ? 99  LYS   A N    1 ? 2 
ATOM   3108 C CA   . LYS   B 1 87  ? -21.797 -21.581 -35.141 1 42.378 ? 99  LYS   A CA   1 ? 2 
ATOM   3109 C C    . LYS   B 1 87  ? -21.036 -22.548 -36.037 1 44.897 ? 99  LYS   A C    1 ? 2 
ATOM   3110 O O    . LYS   B 1 87  ? -21.288 -22.631 -37.238 1 47.156 ? 99  LYS   A O    1 ? 2 
ATOM   3111 C CB   . LYS   B 1 87  ? -23.26  -21.982 -34.905 1 43.325 ? 99  LYS   A CB   1 ? 2 
ATOM   3112 H H    . LYS   B 1 87  ? -22.402 -19.77  -35.882 1 42.465 ? 99  LYS   A H    1 c 2 
ATOM   3113 H HA   . LYS   B 1 87  ? -21.351 -21.566 -34.256 1 40.896 ? 99  LYS   A HA   1 c 2 
ATOM   3114 H HB2  . LYS   B 1 87  ? -23.25  -22.826 -34.493 0 30     ? 99  LYS   A HB2  1 c 2 
ATOM   3115 H HB3  . LYS   B 1 87  ? -23.809 -21.263 -35.33  0 30     ? 99  LYS   A HB3  1 c 2 
ATOM   3116 N N    . GLY   B 1 88  ? -20.024 -23.197 -35.457 1 44.516 ? 100 GLY   A N    1 ? 2 
ATOM   3117 C CA   . GLY   B 1 88  ? -19.213 -24.132 -36.212 1 46.49  ? 100 GLY   A CA   1 ? 2 
ATOM   3118 C C    . GLY   B 1 88  ? -17.91  -23.531 -36.739 1 45.407 ? 100 GLY   A C    1 ? 2 
ATOM   3119 O O    . GLY   B 1 88  ? -17.015 -24.281 -37.121 1 47.59  ? 100 GLY   A O    1 ? 2 
ATOM   3120 H H    . GLY   B 1 88  ? -19.834 -23.056 -34.575 1 42.946 ? 100 GLY   A H    1 c 2 
ATOM   3121 H HA2  . GLY   B 1 88  ? -19     -24.9   -35.632 1 47.139 ? 100 GLY   A HA2  1 c 2 
ATOM   3122 H HA3  . GLY   B 1 88  ? -19.741 -24.474 -36.971 1 48.793 ? 100 GLY   A HA3  1 c 2 
ATOM   3123 N N    . GLU   B 1 89  ? -17.754 -22.204 -36.711 1 43.328 ? 101 GLU   A N    1 ? 2 
ATOM   3124 C CA   . GLU   B 1 89  ? -16.519 -21.589 -37.189 1 42.097 ? 101 GLU   A CA   1 ? 2 
ATOM   3125 C C    . GLU   B 1 89  ? -15.318 -21.906 -36.277 1 39.692 ? 101 GLU   A C    1 ? 2 
ATOM   3126 O O    . GLU   B 1 89  ? -15.46  -22.103 -35.056 1 35.671 ? 101 GLU   A O    1 ? 2 
ATOM   3127 C CB   . GLU   B 1 89  ? -16.758 -20.088 -37.384 1 40.257 ? 101 GLU   A CB   1 ? 2 
ATOM   3128 C CG   . GLU   B 1 89  ? -15.601 -19.288 -38     1 39.804 ? 101 GLU   A CG   1 ? 2 
ATOM   3129 C CD   . GLU   B 1 89  ? -15.922 -17.801 -38.186 1 39.638 ? 101 GLU   A CD   1 ? 2 
ATOM   3130 O OE1  . GLU   B 1 89  ? -17.043 -17.437 -38.578 1 41.494 ? 101 GLU   A OE1  1 ? 2 
ATOM   3131 O OE2  . GLU   B 1 89  ? -15.06  -16.948 -37.924 1 40.706 ? 101 GLU   A OE2  1 ? 2 
ATOM   3132 H H    . GLU   B 1 89  ? -18.421 -21.67  -36.389 1 42.375 ? 101 GLU   A H    1 c 2 
ATOM   3133 H HA   . GLU   B 1 89  ? -16.33  -21.968 -38.082 1 43.839 ? 101 GLU   A HA   1 c 2 
ATOM   3134 H HB2  . GLU   B 1 89  ? -17.547 -19.972 -37.952 1 41.597 ? 101 GLU   A HB2  1 c 2 
ATOM   3135 H HB3  . GLU   B 1 89  ? -16.961 -19.692 -36.512 1 38.631 ? 101 GLU   A HB3  1 c 2 
ATOM   3136 H HG2  . GLU   B 1 89  ? -14.811 -19.368 -37.425 1 38.781 ? 101 GLU   A HG2  1 c 2 
ATOM   3137 H HG3  . GLU   B 1 89  ? -15.376 -19.669 -38.874 1 41.84  ? 101 GLU   A HG3  1 c 2 
ATOM   3138 N N    . ILE   B 1 90  ? -14.146 -22.004 -36.943 1 40.331 ? 102 ILE   A N    1 ? 2 
ATOM   3139 C CA   . ILE   B 1 90  ? -12.847 -21.958 -36.302 1 40.274 ? 102 ILE   A CA   1 ? 2 
ATOM   3140 C C    . ILE   B 1 90  ? -11.996 -20.895 -36.968 1 38.636 ? 102 ILE   A C    1 ? 2 
ATOM   3141 O O    . ILE   B 1 90  ? -11.852 -20.864 -38.18  1 42.528 ? 102 ILE   A O    1 ? 2 
ATOM   3142 C CB   . ILE   B 1 90  ? -12.074 -23.29  -36.32  1 45.499 ? 102 ILE   A CB   1 ? 2 
ATOM   3143 C CG1  . ILE   B 1 90  ? -12.798 -24.381 -35.547 1 49.723 ? 102 ILE   A CG1  1 ? 2 
ATOM   3144 C CG2  . ILE   B 1 90  ? -10.67  -23.084 -35.748 1 44.543 ? 102 ILE   A CG2  1 ? 2 
ATOM   3145 C CD1  . ILE   B 1 90  ? -12.288 -25.785 -35.806 1 53.815 ? 102 ILE   A CD1  1 ? 2 
ATOM   3146 H H    . ILE   B 1 90  ? -14.171 -22.109 -37.85  1 42.275 ? 102 ILE   A H    1 c 2 
ATOM   3147 H HA   . ILE   B 1 90  ? -12.983 -21.703 -35.374 1 38.66  ? 102 ILE   A HA   1 c 2 
ATOM   3148 H HB   . ILE   B 1 90  ? -11.988 -23.581 -37.25  1 47.429 ? 102 ILE   A HB   1 c 2 
ATOM   3149 H HG12 . ILE   B 1 90  ? -12.714 -24.189 -34.592 1 47.506 ? 102 ILE   A HG12 1 c 2 
ATOM   3150 H HG13 . ILE   B 1 90  ? -13.75  -24.347 -35.775 1 49.677 ? 102 ILE   A HG13 1 c 2 
ATOM   3151 H HG21 . ILE   B 1 90  ? -10.255 -23.947 -35.582 1 45.726 ? 102 ILE   A HG21 1 c 2 
ATOM   3152 H HG22 . ILE   B 1 90  ? -10.726 -22.591 -34.913 1 42.393 ? 102 ILE   A HG22 1 c 2 
ATOM   3153 H HG23 . ILE   B 1 90  ? -10.127 -22.586 -36.381 1 44.399 ? 102 ILE   A HG23 1 c 2 
ATOM   3154 H HD11 . ILE   B 1 90  ? -12.189 -25.924 -36.767 1 55.184 ? 102 ILE   A HD11 1 c 2 
ATOM   3155 H HD12 . ILE   B 1 90  ? -12.923 -26.433 -35.449 1 54.596 ? 102 ILE   A HD12 1 c 2 
ATOM   3156 H HD13 . ILE   B 1 90  ? -11.423 -25.907 -35.371 1 52.945 ? 102 ILE   A HD13 1 c 2 
ATOM   3157 N N    . ALA   B 1 91  ? -11.311 -20.139 -36.126 1 35.703 ? 103 ALA   A N    1 ? 2 
ATOM   3158 C CA   . ALA   B 1 91  ? -10.572 -18.98  -36.562 1 35.963 ? 103 ALA   A CA   1 ? 2 
ATOM   3159 C C    . ALA   B 1 91  ? -9.325  -18.819 -35.707 1 34.047 ? 103 ALA   A C    1 ? 2 
ATOM   3160 O O    . ALA   B 1 91  ? -9.251  -19.373 -34.621 1 35.068 ? 103 ALA   A O    1 ? 2 
ATOM   3161 C CB   . ALA   B 1 91  ? -11.438 -17.763 -36.416 1 35.455 ? 103 ALA   A CB   1 ? 2 
ATOM   3162 H H    . ALA   B 1 91  ? -11.305 -20.351 -35.237 1 35.183 ? 103 ALA   A H    1 c 2 
ATOM   3163 H HA   . ALA   B 1 91  ? -10.302 -19.098 -37.512 1 37.47  ? 103 ALA   A HA   1 c 2 
ATOM   3164 H HB1  . ALA   B 1 91  ? -12.237 -17.863 -36.96  1 36.217 ? 103 ALA   A HB1  1 c 2 
ATOM   3165 H HB2  . ALA   B 1 91  ? -11.695 -17.654 -35.485 1 33.752 ? 103 ALA   A HB2  1 c 2 
ATOM   3166 H HB3  . ALA   B 1 91  ? -10.947 -16.976 -36.708 1 34.804 ? 103 ALA   A HB3  1 c 2 
ATOM   3167 N N    . HIS   B 1 92  ? -8.394  -18.023 -36.227 1 32.073 ? 104 HIS   A N    1 ? 2 
ATOM   3168 C CA   . HIS   B 1 92  ? -7.115  -17.769 -35.611 1 30.323 ? 104 HIS   A CA   1 ? 2 
ATOM   3169 C C    . HIS   B 1 92  ? -7.085  -16.28  -35.291 1 31.212 ? 104 HIS   A C    1 ? 2 
ATOM   3170 O O    . HIS   B 1 92  ? -7.521  -15.476 -36.107 1 31.885 ? 104 HIS   A O    1 ? 2 
ATOM   3171 C CB   . HIS   B 1 92  ? -6.005  -18.162 -36.584 1 31.593 ? 104 HIS   A CB   1 ? 2 
ATOM   3172 C CG   . HIS   B 1 92  ? -5.672  -19.612 -36.607 1 32.471 ? 104 HIS   A CG   1 ? 2 
ATOM   3173 N ND1  . HIS   B 1 92  ? -4.648  -20.113 -37.376 1 34.087 ? 104 HIS   A ND1  1 ? 2 
ATOM   3174 C CD2  . HIS   B 1 92  ? -6.084  -20.626 -35.819 1 32.33  ? 104 HIS   A CD2  1 ? 2 
ATOM   3175 C CE1  . HIS   B 1 92  ? -4.518  -21.404 -37.124 1 35.585 ? 104 HIS   A CE1  1 ? 2 
ATOM   3176 N NE2  . HIS   B 1 92  ? -5.377  -21.739 -36.174 1 34.141 ? 104 HIS   A NE2  1 ? 2 
ATOM   3177 H H    . HIS   B 1 92  ? -8.575  -17.61  -37.022 1 33.134 ? 104 HIS   A H    1 c 2 
ATOM   3178 H HA   . HIS   B 1 92  ? -7.037  -18.28  -34.77  1 30.19  ? 104 HIS   A HA   1 c 2 
ATOM   3179 H HB2  . HIS   B 1 92  ? -6.27   -17.884 -37.488 1 32.707 ? 104 HIS   A HB2  1 c 2 
ATOM   3180 H HB3  . HIS   B 1 92  ? -5.195  -17.657 -36.352 1 31.066 ? 104 HIS   A HB3  1 c 2 
ATOM   3181 H HD1  . HIS   B 1 92  ? -4.147  -19.659 -37.939 0 30     ? 104 HIS   A HD1  1 c 2 
ATOM   3182 H HD2  . HIS   B 1 92  ? -6.76   -20.589 -35.173 1 31.077 ? 104 HIS   A HD2  1 c 2 
ATOM   3183 H HE1  . HIS   B 1 92  ? -3.915  -21.986 -37.552 1 37.501 ? 104 HIS   A HE1  1 c 2 
ATOM   3184 H HE2  . HIS   B 1 92  ? -5.494  -22.541 -35.839 0 30     ? 104 HIS   A HE2  1 c 2 
ATOM   3185 N N    . LEU   B 1 93  ? -6.693  -15.918 -34.06  1 31.774 ? 105 LEU   A N    1 ? 2 
ATOM   3186 C CA   . LEU   B 1 93  ? -6.57   -14.52  -33.679 1 29.492 ? 105 LEU   A CA   1 ? 2 
ATOM   3187 C C    . LEU   B 1 93  ? -5.161  -14.282 -33.151 1 28.121 ? 105 LEU   A C    1 ? 2 
ATOM   3188 O O    . LEU   B 1 93  ? -4.597  -15.117 -32.433 1 24.684 ? 105 LEU   A O    1 ? 2 
ATOM   3189 C CB   . LEU   B 1 93  ? -7.584  -14.045 -32.636 1 28.88  ? 105 LEU   A CB   1 ? 2 
ATOM   3190 C CG   . LEU   B 1 93  ? -9.058  -14.25  -32.969 1 29.832 ? 105 LEU   A CG   1 ? 2 
ATOM   3191 C CD1  . LEU   B 1 93  ? -9.955  -14.039 -31.793 1 28.079 ? 105 LEU   A CD1  1 ? 2 
ATOM   3192 C CD2  . LEU   B 1 93  ? -9.467  -13.324 -34.115 1 33.219 ? 105 LEU   A CD2  1 ? 2 
ATOM   3193 H H    . LEU   B 1 93  ? -6.497  -16.562 -33.441 1 30.708 ? 105 LEU   A H    1 c 2 
ATOM   3194 H HA   . LEU   B 1 93  ? -6.685  -13.977 -34.494 1 30.344 ? 105 LEU   A HA   1 c 2 
ATOM   3195 H HB2  . LEU   B 1 93  ? -7.391  -14.511 -31.79  1 28.217 ? 105 LEU   A HB2  1 c 2 
ATOM   3196 H HB3  . LEU   B 1 93  ? -7.433  -13.084 -32.48  1 28.285 ? 105 LEU   A HB3  1 c 2 
ATOM   3197 H HG   . LEU   B 1 93  ? -9.177  -15.186 -33.277 1 30.907 ? 105 LEU   A HG   1 c 2 
ATOM   3198 H HD11 . LEU   B 1 93  ? -9.705  -14.651 -31.08  1 27.926 ? 105 LEU   A HD11 1 c 2 
ATOM   3199 H HD12 . LEU   B 1 93  ? -10.877 -14.204 -32.052 1 28.612 ? 105 LEU   A HD12 1 c 2 
ATOM   3200 H HD13 . LEU   B 1 93  ? -9.867  -13.123 -31.478 1 27.557 ? 105 LEU   A HD13 1 c 2 
ATOM   3201 H HD21 . LEU   B 1 93  ? -8.994  -13.579 -34.925 1 33.532 ? 105 LEU   A HD21 1 c 2 
ATOM   3202 H HD22 . LEU   B 1 93  ? -9.245  -12.406 -33.887 1 31.851 ? 105 LEU   A HD22 1 c 2 
ATOM   3203 H HD23 . LEU   B 1 93  ? -10.425 -13.397 -34.266 1 32.599 ? 105 LEU   A HD23 1 c 2 
ATOM   3204 N N    . LEU   B 1 94  ? -4.631  -13.137 -33.595 1 29.663 ? 106 LEU   A N    1 ? 2 
ATOM   3205 C CA   . LEU   B 1 94  ? -3.421  -12.535 -33.09  1 29.671 ? 106 LEU   A CA   1 ? 2 
ATOM   3206 C C    . LEU   B 1 94  ? -3.778  -11.14  -32.578 1 30.349 ? 106 LEU   A C    1 ? 2 
ATOM   3207 O O    . LEU   B 1 94  ? -4.428  -10.332 -33.251 1 29.855 ? 106 LEU   A O    1 ? 2 
ATOM   3208 C CB   . LEU   B 1 94  ? -2.343  -12.504 -34.162 1 32.705 ? 106 LEU   A CB   1 ? 2 
ATOM   3209 C CG   . LEU   B 1 94  ? -0.949  -12.048 -33.711 1 35.058 ? 106 LEU   A CG   1 ? 2 
ATOM   3210 C CD1  . LEU   B 1 94  ? -0.35   -13.019 -32.68  1 36.295 ? 106 LEU   A CD1  1 ? 2 
ATOM   3211 C CD2  . LEU   B 1 94  ? -0.012  -11.91  -34.893 1 36.235 ? 106 LEU   A CD2  1 ? 2 
ATOM   3212 H H    . LEU   B 1 94  ? -5.066  -12.701 -34.271 1 29.905 ? 106 LEU   A H    1 c 2 
ATOM   3213 H HA   . LEU   B 1 94  ? -3.101  -13.08  -32.329 1 29.604 ? 106 LEU   A HA   1 c 2 
ATOM   3214 H HB2  . LEU   B 1 94  ? -2.265  -13.409 -34.544 1 33.717 ? 106 LEU   A HB2  1 c 2 
ATOM   3215 H HB3  . LEU   B 1 94  ? -2.647  -11.905 -34.883 1 33.542 ? 106 LEU   A HB3  1 c 2 
ATOM   3216 H HG   . LEU   B 1 94  ? -1.036  -11.157 -33.282 1 34.06  ? 106 LEU   A HG   1 c 2 
ATOM   3217 H HD11 . LEU   B 1 94  ? -0.794  -12.898 -31.825 1 34.322 ? 106 LEU   A HD11 1 c 2 
ATOM   3218 H HD12 . LEU   B 1 94  ? 0.6     -12.84  -32.578 1 36.424 ? 106 LEU   A HD12 1 c 2 
ATOM   3219 H HD13 . LEU   B 1 94  ? -0.475  -13.934 -32.983 1 36.302 ? 106 LEU   A HD13 1 c 2 
ATOM   3220 H HD21 . LEU   B 1 94  ? -0.389  -11.283 -35.532 1 37.191 ? 106 LEU   A HD21 1 c 2 
ATOM   3221 H HD22 . LEU   B 1 94  ? 0.103   -12.776 -35.318 1 37.555 ? 106 LEU   A HD22 1 c 2 
ATOM   3222 H HD23 . LEU   B 1 94  ? 0.85    -11.582 -34.588 1 37.041 ? 106 LEU   A HD23 1 c 2 
ATOM   3223 N N    . ILE   B 1 95  ? -3.311  -10.895 -31.354 1 29.375 ? 107 ILE   A N    1 ? 2 
ATOM   3224 C CA   . ILE   B 1 95  ? -3.805  -9.844  -30.508 1 27.924 ? 107 ILE   A CA   1 ? 2 
ATOM   3225 C C    . ILE   B 1 95  ? -2.621  -9.059  -29.974 1 29.581 ? 107 ILE   A C    1 ? 2 
ATOM   3226 O O    . ILE   B 1 95  ? -1.723  -9.632  -29.377 1 29.36  ? 107 ILE   A O    1 ? 2 
ATOM   3227 C CB   . ILE   B 1 95  ? -4.603  -10.453 -29.347 1 25.342 ? 107 ILE   A CB   1 ? 2 
ATOM   3228 C CG1  . ILE   B 1 95  ? -5.889  -11.094 -29.843 1 25.626 ? 107 ILE   A CG1  1 ? 2 
ATOM   3229 C CG2  . ILE   B 1 95  ? -4.875  -9.368  -28.31  1 25.4   ? 107 ILE   A CG2  1 ? 2 
ATOM   3230 C CD1  . ILE   B 1 95  ? -6.379  -12.279 -29.048 1 25.157 ? 107 ILE   A CD1  1 ? 2 
ATOM   3231 H H    . ILE   B 1 95  ? -2.635  -11.42  -31.034 1 29.402 ? 107 ILE   A H    1 c 2 
ATOM   3232 H HA   . ILE   B 1 95  ? -4.385  -9.255  -31.024 1 28.243 ? 107 ILE   A HA   1 c 2 
ATOM   3233 H HB   . ILE   B 1 95  ? -4.055  -11.148 -28.93  1 25.783 ? 107 ILE   A HB   1 c 2 
ATOM   3234 H HG12 . ILE   B 1 95  ? -6.589  -10.412 -29.847 1 25.236 ? 107 ILE   A HG12 1 c 2 
ATOM   3235 H HG13 . ILE   B 1 95  ? -5.757  -11.381 -30.768 1 26.303 ? 107 ILE   A HG13 1 c 2 
ATOM   3236 H HG21 . ILE   B 1 95  ? -5.648  -9.617  -27.774 1 24.609 ? 107 ILE   A HG21 1 c 2 
ATOM   3237 H HG22 . ILE   B 1 95  ? -5.054  -8.524  -28.757 1 25.583 ? 107 ILE   A HG22 1 c 2 
ATOM   3238 H HG23 . ILE   B 1 95  ? -4.102  -9.27   -27.73  1 25.272 ? 107 ILE   A HG23 1 c 2 
ATOM   3239 H HD11 . ILE   B 1 95  ? -5.678  -12.957 -29.011 1 25.482 ? 107 ILE   A HD11 1 c 2 
ATOM   3240 H HD12 . ILE   B 1 95  ? -7.172  -12.655 -29.475 1 25.298 ? 107 ILE   A HD12 1 c 2 
ATOM   3241 H HD13 . ILE   B 1 95  ? -6.603  -11.995 -28.141 1 24.545 ? 107 ILE   A HD13 1 c 2 
ATOM   3242 N N    . LYS   B 1 96  ? -2.657  -7.741  -30.132 1 30.359 ? 108 LYS   A N    1 ? 2 
ATOM   3243 C CA   . LYS   B 1 96  ? -1.686  -6.911  -29.455 1 31.011 ? 108 LYS   A CA   1 ? 2 
ATOM   3244 C C    . LYS   B 1 96  ? -2.087  -6.689  -27.996 1 29.457 ? 108 LYS   A C    1 ? 2 
ATOM   3245 O O    . LYS   B 1 96  ? -3.242  -6.87   -27.625 1 25.693 ? 108 LYS   A O    1 ? 2 
ATOM   3246 C CB   . LYS   B 1 96  ? -1.624  -5.626  -30.253 1 34.475 ? 108 LYS   A CB   1 ? 2 
ATOM   3247 C CG   . LYS   B 1 96  ? -1.048  -5.833  -31.628 1 36.827 ? 108 LYS   A CG   1 ? 2 
ATOM   3248 C CD   . LYS   B 1 96  ? -1.001  -4.505  -32.393 1 39.881 ? 108 LYS   A CD   1 ? 2 
ATOM   3249 C CE   . LYS   B 1 96  ? -0.503  -4.624  -33.82  1 40.206 ? 108 LYS   A CE   1 ? 2 
ATOM   3250 N NZ   . LYS   B 1 96  ? -0.608  -3.284  -34.386 1 43.169 ? 108 LYS   A NZ   1 ? 2 
ATOM   3251 H H    . LYS   B 1 96  ? -3.292  -7.353  -30.663 1 30.541 ? 108 LYS   A H    1 c 2 
ATOM   3252 H HA   . LYS   B 1 96  ? -0.805  -7.362  -29.49  1 31.702 ? 108 LYS   A HA   1 c 2 
ATOM   3253 H HB2  . LYS   B 1 96  ? -2.528  -5.256  -30.341 1 33.834 ? 108 LYS   A HB2  1 c 2 
ATOM   3254 H HB3  . LYS   B 1 96  ? -1.075  -4.969  -29.777 1 34.698 ? 108 LYS   A HB3  1 c 2 
ATOM   3255 H HG2  . LYS   B 1 96  ? -0.141  -6.199  -31.546 1 37.371 ? 108 LYS   A HG2  1 c 2 
ATOM   3256 H HG3  . LYS   B 1 96  ? -1.604  -6.475  -32.118 1 36.555 ? 108 LYS   A HG3  1 c 2 
ATOM   3257 H HD2  . LYS   B 1 96  ? -1.899  -4.111  -32.401 1 38.766 ? 108 LYS   A HD2  1 c 2 
ATOM   3258 H HD3  . LYS   B 1 96  ? -0.414  -3.887  -31.905 1 39.77  ? 108 LYS   A HD3  1 c 2 
ATOM   3259 H HE2  . LYS   B 1 96  ? 0.426   -4.914  -33.834 1 41.498 ? 108 LYS   A HE2  1 c 2 
ATOM   3260 H HE3  . LYS   B 1 96  ? -1.04   -5.25   -34.334 1 40.52  ? 108 LYS   A HE3  1 c 2 
ATOM   3261 H HZ1  . LYS   B 1 96  ? -0.12   -2.698  -33.896 1 43.286 ? 108 LYS   A HZ1  1 c 2 
ATOM   3262 H HZ2  . LYS   B 1 96  ? -1.474  -3.016  -34.394 1 42.308 ? 108 LYS   A HZ2  1 c 2 
ATOM   3263 H HZ3  . LYS   B 1 96  ? -0.293  -3.29   -35.235 1 44.271 ? 108 LYS   A HZ3  1 c 2 
ATOM   3264 N N    . PRO   B 1 97  ? -1.117  -6.275  -27.148 1 29.806 ? 109 PRO   A N    1 ? 2 
ATOM   3265 C CA   . PRO   B 1 97  ? -1.334  -6.182  -25.711 1 28.747 ? 109 PRO   A CA   1 ? 2 
ATOM   3266 C C    . PRO   B 1 97  ? -2.541  -5.34   -25.316 1 28.125 ? 109 PRO   A C    1 ? 2 
ATOM   3267 O O    . PRO   B 1 97  ? -3.224  -5.661  -24.358 1 25.257 ? 109 PRO   A O    1 ? 2 
ATOM   3268 C CB   . PRO   B 1 97  ? -0.054  -5.525  -25.182 1 30.977 ? 109 PRO   A CB   1 ? 2 
ATOM   3269 C CG   . PRO   B 1 97  ? 0.959   -5.498  -26.334 1 30.21  ? 109 PRO   A CG   1 ? 2 
ATOM   3270 C CD   . PRO   B 1 97  ? 0.257   -5.918  -27.572 1 29.805 ? 109 PRO   A CD   1 ? 2 
ATOM   3271 H HA   . PRO   B 1 97  ? -1.424  -7.082  -25.336 1 28.222 ? 109 PRO   A HA   1 c 2 
ATOM   3272 H HB2  . PRO   B 1 97  ? -0.238  -4.617  -24.869 1 30.862 ? 109 PRO   A HB2  1 c 2 
ATOM   3273 H HB3  . PRO   B 1 97  ? 0.299   -6.035  -24.428 1 30.179 ? 109 PRO   A HB3  1 c 2 
ATOM   3274 H HG2  . PRO   B 1 97  ? 1.323   -4.597  -26.444 1 31.783 ? 109 PRO   A HG2  1 c 2 
ATOM   3275 H HG3  . PRO   B 1 97  ? 1.701   -6.107  -26.147 1 30.88  ? 109 PRO   A HG3  1 c 2 
ATOM   3276 H HD2  . PRO   B 1 97  ? 0.237   -5.188  -28.218 1 31.064 ? 109 PRO   A HD2  1 c 2 
ATOM   3277 H HD3  . PRO   B 1 97  ? 0.7     -6.688  -27.977 1 30.297 ? 109 PRO   A HD3  1 c 2 
ATOM   3278 N N    . GLU   B 1 98  ? -2.817  -4.308  -26.109 1 30.596 ? 110 GLU   A N    1 ? 2 
ATOM   3279 C CA   . GLU   B 1 98  ? -3.861  -3.34   -25.824 1 33.745 ? 110 GLU   A CA   1 ? 2 
ATOM   3280 C C    . GLU   B 1 98  ? -5.274  -3.933  -25.874 1 31.816 ? 110 GLU   A C    1 ? 2 
ATOM   3281 O O    . GLU   B 1 98  ? -6.158  -3.377  -25.215 1 31.478 ? 110 GLU   A O    1 ? 2 
ATOM   3282 C CB   . GLU   B 1 98  ? -3.819  -2.188  -26.826 1 36.831 ? 110 GLU   A CB   1 ? 2 
ATOM   3283 C CG   . GLU   B 1 98  ? -2.575  -1.312  -26.716 1 44.091 ? 110 GLU   A CG   1 ? 2 
ATOM   3284 C CD   . GLU   B 1 98  ? -1.351  -1.662  -27.578 1 49.41  ? 110 GLU   A CD   1 ? 2 
ATOM   3285 O OE1  . GLU   B 1 98  ? -1.231  -2.76   -28.185 1 45.542 ? 110 GLU   A OE1  1 ? 2 
ATOM   3286 O OE2  . GLU   B 1 98  ? -0.495  -0.746  -27.67  1 56.349 ? 110 GLU   A OE2  1 ? 2 
ATOM   3287 H H    . GLU   B 1 98  ? -2.323  -4.195  -26.869 1 31.555 ? 110 GLU   A H    1 c 2 
ATOM   3288 H HA   . GLU   B 1 98  ? -3.705  -2.976  -24.915 1 33.675 ? 110 GLU   A HA   1 c 2 
ATOM   3289 H HB2  . GLU   B 1 98  ? -3.867  -2.558  -27.733 1 37.525 ? 110 GLU   A HB2  1 c 2 
ATOM   3290 H HB3  . GLU   B 1 98  ? -4.61   -1.625  -26.693 1 37.846 ? 110 GLU   A HB3  1 c 2 
ATOM   3291 H HG2  . GLU   B 1 98  ? -2.832  -0.39   -26.927 1 44.842 ? 110 GLU   A HG2  1 c 2 
ATOM   3292 H HG3  . GLU   B 1 98  ? -2.286  -1.309  -25.778 1 43.542 ? 110 GLU   A HG3  1 c 2 
ATOM   3293 N N    . TYR   B 1 99  ? -5.48   -5.021  -26.659 1 28.448 ? 111 TYR   A N    1 ? 2 
ATOM   3294 C CA   . TYR   B 1 99  ? -6.739  -5.743  -26.685 1 25.907 ? 111 TYR   A CA   1 ? 2 
ATOM   3295 C C    . TYR   B 1 99  ? -6.625  -7.041  -25.879 1 22.086 ? 111 TYR   A C    1 ? 2 
ATOM   3296 O O    . TYR   B 1 99  ? -7.562  -7.842  -25.852 1 21.358 ? 111 TYR   A O    1 ? 2 
ATOM   3297 C CB   . TYR   B 1 99  ? -7.14   -5.889  -28.158 1 26.508 ? 111 TYR   A CB   1 ? 2 
ATOM   3298 C CG   . TYR   B 1 99  ? -7.438  -4.577  -28.878 1 27.149 ? 111 TYR   A CG   1 ? 2 
ATOM   3299 C CD1  . TYR   B 1 99  ? -6.435  -3.86   -29.51  1 28.14  ? 111 TYR   A CD1  1 ? 2 
ATOM   3300 C CD2  . TYR   B 1 99  ? -8.732  -4.072  -28.996 1 29.133 ? 111 TYR   A CD2  1 ? 2 
ATOM   3301 C CE1  . TYR   B 1 99  ? -6.693  -2.708  -30.235 1 28.673 ? 111 TYR   A CE1  1 ? 2 
ATOM   3302 C CE2  . TYR   B 1 99  ? -9.002  -2.908  -29.717 1 29.867 ? 111 TYR   A CE2  1 ? 2 
ATOM   3303 C CZ   . TYR   B 1 99  ? -7.975  -2.229  -30.351 1 29.507 ? 111 TYR   A CZ   1 ? 2 
ATOM   3304 O OH   . TYR   B 1 99  ? -8.18   -1.052  -31.015 1 31.183 ? 111 TYR   A OH   1 ? 2 
ATOM   3305 H H    . TYR   B 1 99  ? -4.804  -5.307  -27.203 1 28.798 ? 111 TYR   A H    1 c 2 
ATOM   3306 H HA   . TYR   B 1 99  ? -7.425  -5.175  -26.244 1 25.876 ? 111 TYR   A HA   1 c 2 
ATOM   3307 H HB2  . TYR   B 1 99  ? -6.413  -6.351  -28.632 1 26.443 ? 111 TYR   A HB2  1 c 2 
ATOM   3308 H HB3  . TYR   B 1 99  ? -7.936  -6.462  -28.206 1 25.77  ? 111 TYR   A HB3  1 c 2 
ATOM   3309 H HD1  . TYR   B 1 99  ? -5.549  -4.185  -29.474 1 27.977 ? 111 TYR   A HD1  1 c 2 
ATOM   3310 H HD2  . TYR   B 1 99  ? -9.447  -4.541  -28.597 1 27.836 ? 111 TYR   A HD2  1 c 2 
ATOM   3311 H HE1  . TYR   B 1 99  ? -5.982  -2.241  -30.639 1 30.133 ? 111 TYR   A HE1  1 c 2 
ATOM   3312 H HE2  . TYR   B 1 99  ? -9.884  -2.582  -29.771 1 29.936 ? 111 TYR   A HE2  1 c 2 
ATOM   3313 H HH   . TYR   B 1 99  ? -7.477  -0.757  -31.287 0 30     ? 111 TYR   A HH   1 c 2 
ATOM   3314 N N    . ALA   B 1 100 ? -5.507  -7.211  -25.181 1 20.439 ? 112 ALA   A N    1 ? 2 
ATOM   3315 C CA   . ALA   B 1 100 ? -5.325  -8.326  -24.263 1 20.67  ? 112 ALA   A CA   1 ? 2 
ATOM   3316 C C    . ALA   B 1 100 ? -5.075  -7.818  -22.827 1 20.807 ? 112 ALA   A C    1 ? 2 
ATOM   3317 O O    . ALA   B 1 100 ? -5.995  -7.32   -22.205 1 20.447 ? 112 ALA   A O    1 ? 2 
ATOM   3318 C CB   . ALA   B 1 100 ? -4.221  -9.227  -24.776 1 19.602 ? 112 ALA   A CB   1 ? 2 
ATOM   3319 H H    . ALA   B 1 100 ? -4.823  -6.615  -25.278 1 21.748 ? 112 ALA   A H    1 c 2 
ATOM   3320 H HA   . ALA   B 1 100 ? -6.171  -8.85   -24.248 1 19.848 ? 112 ALA   A HA   1 c 2 
ATOM   3321 H HB1  . ALA   B 1 100 ? -4.542  -9.729  -25.543 1 19.862 ? 112 ALA   A HB1  1 c 2 
ATOM   3322 H HB2  . ALA   B 1 100 ? -3.456  -8.69   -25.042 1 20.501 ? 112 ALA   A HB2  1 c 2 
ATOM   3323 H HB3  . ALA   B 1 100 ? -3.953  -9.849  -24.079 1 19.982 ? 112 ALA   A HB3  1 c 2 
ATOM   3324 N N    . TYR   B 1 101 ? -3.842  -7.91   -22.318 1 20.724 ? 113 TYR   A N    1 ? 2 
ATOM   3325 C CA   . TYR   B 1 101 ? -3.552  -7.59   -20.932 1 22.208 ? 113 TYR   A CA   1 ? 2 
ATOM   3326 C C    . TYR   B 1 101 ? -2.693  -6.341  -20.72  1 23.716 ? 113 TYR   A C    1 ? 2 
ATOM   3327 O O    . TYR   B 1 101 ? -2.318  -6.064  -19.582 1 23.908 ? 113 TYR   A O    1 ? 2 
ATOM   3328 C CB   . TYR   B 1 101 ? -2.85   -8.803  -20.322 1 22.508 ? 113 TYR   A CB   1 ? 2 
ATOM   3329 C CG   . TYR   B 1 101 ? -3.835  -9.959  -20.23  1 22.089 ? 113 TYR   A CG   1 ? 2 
ATOM   3330 C CD1  . TYR   B 1 101 ? -4.889  -9.95   -19.319 1 21.82  ? 113 TYR   A CD1  1 ? 2 
ATOM   3331 C CD2  . TYR   B 1 101 ? -3.716  -11.05  -21.072 1 21.996 ? 113 TYR   A CD2  1 ? 2 
ATOM   3332 C CE1  . TYR   B 1 101 ? -5.777  -11.015 -19.236 1 22.49  ? 113 TYR   A CE1  1 ? 2 
ATOM   3333 C CE2  . TYR   B 1 101 ? -4.611  -12.107 -21.026 1 21.249 ? 113 TYR   A CE2  1 ? 2 
ATOM   3334 C CZ   . TYR   B 1 101 ? -5.651  -12.086 -20.111 1 21.964 ? 113 TYR   A CZ   1 ? 2 
ATOM   3335 O OH   . TYR   B 1 101 ? -6.5    -13.154 -20.092 1 21.328 ? 113 TYR   A OH   1 ? 2 
ATOM   3336 H H    . TYR   B 1 101 ? -3.152  -8.17   -22.857 1 21.156 ? 113 TYR   A H    1 c 2 
ATOM   3337 H HA   . TYR   B 1 101 ? -4.408  -7.458  -20.457 1 22.222 ? 113 TYR   A HA   1 c 2 
ATOM   3338 H HB2  . TYR   B 1 101 ? -2.09   -9.06   -20.886 1 22.638 ? 113 TYR   A HB2  1 c 2 
ATOM   3339 H HB3  . TYR   B 1 101 ? -2.527  -8.575  -19.422 1 23.285 ? 113 TYR   A HB3  1 c 2 
ATOM   3340 H HD1  . TYR   B 1 101 ? -4.984  -9.221  -18.729 1 22.71  ? 113 TYR   A HD1  1 c 2 
ATOM   3341 H HD2  . TYR   B 1 101 ? -3.018  -11.067 -21.708 1 21.904 ? 113 TYR   A HD2  1 c 2 
ATOM   3342 H HE1  . TYR   B 1 101 ? -6.488  -10.99  -18.622 1 22.541 ? 113 TYR   A HE1  1 c 2 
ATOM   3343 H HE2  . TYR   B 1 101 ? -4.511  -12.839 -21.61  1 21.461 ? 113 TYR   A HE2  1 c 2 
ATOM   3344 H HH   . TYR   B 1 101 ? -7.092  -13.044 -19.48  0 30     ? 113 TYR   A HH   1 c 2 
ATOM   3345 N N    . GLY   B 1 102 ? -2.315  -5.635  -21.795 1 24.544 ? 114 GLY   A N    1 ? 2 
ATOM   3346 C CA   . GLY   B 1 102 ? -1.749  -4.295  -21.691 1 25.005 ? 114 GLY   A CA   1 ? 2 
ATOM   3347 C C    . GLY   B 1 102 ? -0.316  -4.266  -21.158 1 26.614 ? 114 GLY   A C    1 ? 2 
ATOM   3348 O O    . GLY   B 1 102 ? 0.425   -5.259  -21.158 1 25.905 ? 114 GLY   A O    1 ? 2 
ATOM   3349 H H    . GLY   B 1 102 ? -2.405  -6.006  -22.624 1 23.646 ? 114 GLY   A H    1 c 2 
ATOM   3350 H HA2  . GLY   B 1 102 ? -1.769  -3.876  -22.583 1 25.473 ? 114 GLY   A HA2  1 c 2 
ATOM   3351 H HA3  . GLY   B 1 102 ? -2.324  -3.757  -21.098 1 25.697 ? 114 GLY   A HA3  1 c 2 
ATOM   3352 N N    . SER   B 1 103 ? 0.095   -3.077  -20.73  1 29.073 ? 115 SER   A N    1 ? 2 
ATOM   3353 C CA   . SER   B 1 103 ? 1.413   -2.921  -20.131 1 31.093 ? 115 SER   A CA   1 ? 2 
ATOM   3354 C C    . SER   B 1 103 ? 1.44    -3.464  -18.699 1 31.724 ? 115 SER   A C    1 ? 2 
ATOM   3355 O O    . SER   B 1 103 ? 2.528   -3.721  -18.182 1 35.421 ? 115 SER   A O    1 ? 2 
ATOM   3356 C CB   . SER   B 1 103 ? 1.888   -1.482  -20.146 1 32.67  ? 115 SER   A CB   1 ? 2 
ATOM   3357 O OG   . SER   B 1 103 ? 0.95    -0.657  -19.486 1 33.131 ? 115 SER   A OG   1 ? 2 
ATOM   3358 H H    . SER   B 1 103 ? -0.449  -2.347  -20.812 1 29.331 ? 115 SER   A H    1 c 2 
ATOM   3359 H HA   . SER   B 1 103 ? 2.052   -3.455  -20.661 1 30.814 ? 115 SER   A HA   1 c 2 
ATOM   3360 H HB2  . SER   B 1 103 ? 2.753   -1.419  -19.698 1 33.984 ? 115 SER   A HB2  1 c 2 
ATOM   3361 H HB3  . SER   B 1 103 ? 1.994   -1.183  -21.069 1 32.938 ? 115 SER   A HB3  1 c 2 
ATOM   3362 H HG   . SER   B 1 103 ? 1.2     0.18    -19.526 0 30     ? 115 SER   A HG   1 c 2 
ATOM   3363 N N    . ALA   B 1 104 ? 0.293   -3.598  -18.029 1 28.074 ? 116 ALA   A N    1 ? 2 
ATOM   3364 C CA   . ALA   B 1 104 ? 0.341   -4.165  -16.698 1 28.668 ? 116 ALA   A CA   1 ? 2 
ATOM   3365 C C    . ALA   B 1 104 ? 0.613   -5.664  -16.837 1 27.742 ? 116 ALA   A C    1 ? 2 
ATOM   3366 O O    . ALA   B 1 104 ? 1.21    -6.265  -15.925 1 29.498 ? 116 ALA   A O    1 ? 2 
ATOM   3367 C CB   . ALA   B 1 104 ? -0.953  -3.866  -15.938 1 28.943 ? 116 ALA   A CB   1 ? 2 
ATOM   3368 H H    . ALA   B 1 104 ? -0.506  -3.337  -18.388 1 28.128 ? 116 ALA   A H    1 c 2 
ATOM   3369 H HA   . ALA   B 1 104 ? 1.106   -3.753  -16.208 1 30.3   ? 116 ALA   A HA   1 c 2 
ATOM   3370 H HB1  . ALA   B 1 104 ? -1.074  -2.905  -15.864 1 29.905 ? 116 ALA   A HB1  1 c 2 
ATOM   3371 H HB2  . ALA   B 1 104 ? -1.708  -4.25   -16.414 1 27.564 ? 116 ALA   A HB2  1 c 2 
ATOM   3372 H HB3  . ALA   B 1 104 ? -0.906  -4.253  -15.047 1 29.561 ? 116 ALA   A HB3  1 c 2 
ATOM   3373 N N    . GLY   B 1 105 ? 0.173   -6.257  -17.963 1 23.78  ? 117 GLY   A N    1 ? 2 
ATOM   3374 C CA   . GLY   B 1 105 ? 0.178   -7.705  -18.054 1 23.398 ? 117 GLY   A CA   1 ? 2 
ATOM   3375 C C    . GLY   B 1 105 ? -0.728  -8.334  -16.985 1 24.005 ? 117 GLY   A C    1 ? 2 
ATOM   3376 O O    . GLY   B 1 105 ? -1.658  -7.694  -16.524 1 24.122 ? 117 GLY   A O    1 ? 2 
ATOM   3377 H H    . GLY   B 1 105 ? -0.138  -5.763  -18.666 1 24.026 ? 117 GLY   A H    1 c 2 
ATOM   3378 H HA2  . GLY   B 1 105 ? -0.133  -7.974  -18.951 1 22.419 ? 117 GLY   A HA2  1 c 2 
ATOM   3379 H HA3  . GLY   B 1 105 ? 1.101   -8.033  -17.941 1 24.12  ? 117 GLY   A HA3  1 c 2 
ATOM   3380 N N    . SER   B 1 106 ? -0.474  -9.61   -16.635 1 25.654 ? 118 SER   A N    1 ? 2 
ATOM   3381 C CA   . SER   B 1 106 ? -1.182  -10.379 -15.603 1 25.374 ? 118 SER   A CA   1 ? 2 
ATOM   3382 C C    . SER   B 1 106 ? -0.222  -11.409 -15.08  1 25.789 ? 118 SER   A C    1 ? 2 
ATOM   3383 O O    . SER   B 1 106 ? -0.283  -12.553 -15.471 1 26.822 ? 118 SER   A O    1 ? 2 
ATOM   3384 C CB   . SER   B 1 106 ? -2.443  -11.125 -16.095 1 24.162 ? 118 SER   A CB   1 ? 2 
ATOM   3385 O OG   . SER   B 1 106 ? -3.24   -11.613 -15.006 1 24.607 ? 118 SER   A OG   1 ? 2 
ATOM   3386 H H    . SER   B 1 106 ? 0.199   -10.035 -17.085 1 25.104 ? 118 SER   A H    1 c 2 
ATOM   3387 H HA   . SER   B 1 106 ? -1.433  -9.769  -14.864 1 26.157 ? 118 SER   A HA   1 c 2 
ATOM   3388 H HB2  . SER   B 1 106 ? -2.98   -10.517 -16.637 1 23.245 ? 118 SER   A HB2  1 c 2 
ATOM   3389 H HB3  . SER   B 1 106 ? -2.178  -11.873 -16.663 1 23.652 ? 118 SER   A HB3  1 c 2 
ATOM   3390 H HG   . SER   B 1 106 ? -3.916  -11.998 -15.324 0 30     ? 118 SER   A HG   1 c 2 
ATOM   3391 N N    . LEU   B 1 107 ? 0.73    -10.974 -14.302 1 27.423 ? 119 LEU   A N    1 ? 2 
ATOM   3392 C CA   . LEU   B 1 107 ? 1.745   -11.874 -13.801 1 29.163 ? 119 LEU   A CA   1 ? 2 
ATOM   3393 C C    . LEU   B 1 107 ? 1.273   -12.683 -12.595 1 30.017 ? 119 LEU   A C    1 ? 2 
ATOM   3394 O O    . LEU   B 1 107 ? 0.502   -12.191 -11.79  1 30.888 ? 119 LEU   A O    1 ? 2 
ATOM   3395 C CB   . LEU   B 1 107 ? 2.907   -10.985 -13.405 1 30.873 ? 119 LEU   A CB   1 ? 2 
ATOM   3396 C CG   . LEU   B 1 107 ? 3.53    -10.219 -14.576 1 31.259 ? 119 LEU   A CG   1 ? 2 
ATOM   3397 C CD1  . LEU   B 1 107 ? 4.298   -9.049  -14.015 1 33.35  ? 119 LEU   A CD1  1 ? 2 
ATOM   3398 C CD2  . LEU   B 1 107 ? 4.436   -11.076 -15.472 1 31.262 ? 119 LEU   A CD2  1 ? 2 
ATOM   3399 H H    . LEU   B 1 107 ? 0.753   -10.092 -14.06  1 27.9   ? 119 LEU   A H    1 c 2 
ATOM   3400 H HA   . LEU   B 1 107 ? 2.021   -12.478 -14.533 1 28.429 ? 119 LEU   A HA   1 c 2 
ATOM   3401 H HB2  . LEU   B 1 107 ? 2.584   -10.333 -12.744 1 31.763 ? 119 LEU   A HB2  1 c 2 
ATOM   3402 H HB3  . LEU   B 1 107 ? 3.603   -11.54  -12.984 1 32.324 ? 119 LEU   A HB3  1 c 2 
ATOM   3403 H HG   . LEU   B 1 107 ? 2.797   -9.859  -15.139 1 29.781 ? 119 LEU   A HG   1 c 2 
ATOM   3404 H HD11 . LEU   B 1 107 ? 3.708   -8.505  -13.466 1 33.501 ? 119 LEU   A HD11 1 c 2 
ATOM   3405 H HD12 . LEU   B 1 107 ? 4.647   -8.51   -14.744 1 32.938 ? 119 LEU   A HD12 1 c 2 
ATOM   3406 H HD13 . LEU   B 1 107 ? 5.036   -9.374  -13.473 1 34.669 ? 119 LEU   A HD13 1 c 2 
ATOM   3407 H HD21 . LEU   B 1 107 ? 3.889   -11.63  -16.053 1 30.095 ? 119 LEU   A HD21 1 c 2 
ATOM   3408 H HD22 . LEU   B 1 107 ? 4.995   -11.646 -14.917 1 32.477 ? 119 LEU   A HD22 1 c 2 
ATOM   3409 H HD23 . LEU   B 1 107 ? 5       -10.499 -16.012 1 31.384 ? 119 LEU   A HD23 1 c 2 
ATOM   3410 N N    . PRO   B 1 108 ? 1.857   -13.884 -12.379 1 30.584 ? 120 PRO   A N    1 ? 2 
ATOM   3411 C CA   . PRO   B 1 108 ? 2.957   -14.341 -13.225 1 30.496 ? 120 PRO   A CA   1 ? 2 
ATOM   3412 C C    . PRO   B 1 108 ? 2.562   -14.977 -14.566 1 28.532 ? 120 PRO   A C    1 ? 2 
ATOM   3413 O O    . PRO   B 1 108 ? 3.472   -15.289 -15.294 1 28.606 ? 120 PRO   A O    1 ? 2 
ATOM   3414 C CB   . PRO   B 1 108 ? 3.724   -15.25  -12.26  1 32.638 ? 120 PRO   A CB   1 ? 2 
ATOM   3415 C CG   . PRO   B 1 108 ? 2.593   -15.881 -11.477 1 33.458 ? 120 PRO   A CG   1 ? 2 
ATOM   3416 C CD   . PRO   B 1 108 ? 1.566   -14.809 -11.286 1 32.367 ? 120 PRO   A CD   1 ? 2 
ATOM   3417 H HA   . PRO   B 1 108 ? 3.54    -13.581 -13.414 1 30.433 ? 120 PRO   A HA   1 c 2 
ATOM   3418 H HB2  . PRO   B 1 108 ? 4.24    -15.924 -12.744 1 33.012 ? 120 PRO   A HB2  1 c 2 
ATOM   3419 H HB3  . PRO   B 1 108 ? 4.314   -14.732 -11.679 1 33.99  ? 120 PRO   A HB3  1 c 2 
ATOM   3420 H HG2  . PRO   B 1 108 ? 2.21    -16.634 -11.97  1 32.845 ? 120 PRO   A HG2  1 c 2 
ATOM   3421 H HG3  . PRO   B 1 108 ? 2.911   -16.204 -10.613 1 35.328 ? 120 PRO   A HG3  1 c 2 
ATOM   3422 H HD2  . PRO   B 1 108 ? 0.659   -15.165 -11.364 1 31.788 ? 120 PRO   A HD2  1 c 2 
ATOM   3423 H HD3  . PRO   B 1 108 ? 1.668   -14.367 -10.422 1 33.711 ? 120 PRO   A HD3  1 c 2 
ATOM   3424 N N    . LYS   B 1 109 ? 1.267   -15.183 -14.888 1 28.136 ? 121 LYS   A N    1 ? 2 
ATOM   3425 C CA   . LYS   B 1 109 ? 0.845   -15.941 -16.077 1 28.805 ? 121 LYS   A CA   1 ? 2 
ATOM   3426 C C    . LYS   B 1 109 ? 1.264   -15.135 -17.314 1 27.714 ? 121 LYS   A C    1 ? 2 
ATOM   3427 O O    . LYS   B 1 109 ? 2.004   -15.65  -18.128 1 27.489 ? 121 LYS   A O    1 ? 2 
ATOM   3428 C CB   . LYS   B 1 109 ? -0.639  -16.388 -16.215 1 26.694 ? 121 LYS   A CB   1 ? 2 
ATOM   3429 H H    . LYS   B 1 109 ? 0.618   -14.836 -14.346 1 28.253 ? 121 LYS   A H    1 c 2 
ATOM   3430 H HA   . LYS   B 1 109 ? 1.375   -16.779 -16.085 1 29.225 ? 121 LYS   A HA   1 c 2 
ATOM   3431 H HB2  . LYS   B 1 109 ? -0.715  -17.285 -16.472 0 30     ? 121 LYS   A HB2  1 c 2 
ATOM   3432 H HB3  . LYS   B 1 109 ? -1.209  -15.558 -15.995 0 30     ? 121 LYS   A HB3  1 c 2 
ATOM   3433 N N    . ILE   B 1 110 ? 0.806   -13.878 -17.415 1 27.049 ? 122 ILE   A N    1 ? 2 
ATOM   3434 C CA   . ILE   B 1 110 ? 1.032   -13.073 -18.599 1 26.938 ? 122 ILE   A CA   1 ? 2 
ATOM   3435 C C    . ILE   B 1 110 ? 2.02    -11.949 -18.301 1 28.673 ? 122 ILE   A C    1 ? 2 
ATOM   3436 O O    . ILE   B 1 110 ? 1.757   -11.09  -17.455 1 29.097 ? 122 ILE   A O    1 ? 2 
ATOM   3437 C CB   . ILE   B 1 110 ? -0.267  -12.471 -19.156 1 28.076 ? 122 ILE   A CB   1 ? 2 
ATOM   3438 C CG1  . ILE   B 1 110 ? -1.463  -13.458 -19.192 1 28.45  ? 122 ILE   A CG1  1 ? 2 
ATOM   3439 C CG2  . ILE   B 1 110 ? -0.003  -11.878 -20.547 1 29.657 ? 122 ILE   A CG2  1 ? 2 
ATOM   3440 C CD1  . ILE   B 1 110 ? -1.245  -14.673 -20.087 1 27.874 ? 122 ILE   A CD1  1 ? 2 
ATOM   3441 H H    . ILE   B 1 110 ? 0.333   -13.517 -16.722 1 27.233 ? 122 ILE   A H    1 c 2 
ATOM   3442 H HA   . ILE   B 1 110 ? 1.411   -13.647 -19.286 1 27.449 ? 122 ILE   A HA   1 c 2 
ATOM   3443 H HB   . ILE   B 1 110 ? -0.522  -11.733 -18.568 1 28.146 ? 122 ILE   A HB   1 c 2 
ATOM   3444 H HG12 . ILE   B 1 110 ? -1.643  -13.767 -18.281 1 28.697 ? 122 ILE   A HG12 1 c 2 
ATOM   3445 H HG13 . ILE   B 1 110 ? -2.255  -12.976 -19.505 1 27.262 ? 122 ILE   A HG13 1 c 2 
ATOM   3446 H HG21 . ILE   B 1 110 ? -0.849  -11.711 -20.995 1 28.099 ? 122 ILE   A HG21 1 c 2 
ATOM   3447 H HG22 . ILE   B 1 110 ? 0.522   -12.503 -21.075 1 29.203 ? 122 ILE   A HG22 1 c 2 
ATOM   3448 H HG23 . ILE   B 1 110 ? 0.484   -11.043 -20.459 1 29.301 ? 122 ILE   A HG23 1 c 2 
ATOM   3449 H HD11 . ILE   B 1 110 ? -1.122  -14.388 -21.012 1 27.583 ? 122 ILE   A HD11 1 c 2 
ATOM   3450 H HD12 . ILE   B 1 110 ? -2.03   -15.25  -20.029 1 27.906 ? 122 ILE   A HD12 1 c 2 
ATOM   3451 H HD13 . ILE   B 1 110 ? -0.457  -15.167 -19.792 1 28.991 ? 122 ILE   A HD13 1 c 2 
ATOM   3452 N N    . PRO   B 1 111 ? 3.105   -11.823 -19.101 1 28.457 ? 123 PRO   A N    1 ? 2 
ATOM   3453 C CA   . PRO   B 1 111 ? 3.989   -10.684 -19.015 1 30.11  ? 123 PRO   A CA   1 ? 2 
ATOM   3454 C C    . PRO   B 1 111 ? 3.393   -9.398  -19.562 1 29.824 ? 123 PRO   A C    1 ? 2 
ATOM   3455 O O    . PRO   B 1 111 ? 2.42    -9.379  -20.321 1 30.604 ? 123 PRO   A O    1 ? 2 
ATOM   3456 C CB   . PRO   B 1 111 ? 5.183   -11.034 -19.923 1 29.984 ? 123 PRO   A CB   1 ? 2 
ATOM   3457 C CG   . PRO   B 1 111 ? 4.984   -12.462 -20.316 1 29.459 ? 123 PRO   A CG   1 ? 2 
ATOM   3458 C CD   . PRO   B 1 111 ? 3.496   -12.698 -20.214 1 28.318 ? 123 PRO   A CD   1 ? 2 
ATOM   3459 H HA   . PRO   B 1 111 ? 4.284   -10.556 -18.093 1 30.785 ? 123 PRO   A HA   1 c 2 
ATOM   3460 H HB2  . PRO   B 1 111 ? 5.2     -10.458 -20.713 1 29.902 ? 123 PRO   A HB2  1 c 2 
ATOM   3461 H HB3  . PRO   B 1 111 ? 6.026   -10.923 -19.443 1 31.466 ? 123 PRO   A HB3  1 c 2 
ATOM   3462 H HG2  . PRO   B 1 111 ? 5.294   -12.617 -21.231 1 29.704 ? 123 PRO   A HG2  1 c 2 
ATOM   3463 H HG3  . PRO   B 1 111 ? 5.469   -13.06  -19.713 1 30.603 ? 123 PRO   A HG3  1 c 2 
ATOM   3464 H HD2  . PRO   B 1 111 ? 3.036   -12.444 -21.036 1 27.361 ? 123 PRO   A HD2  1 c 2 
ATOM   3465 H HD3  . PRO   B 1 111 ? 3.304   -13.633 -20.01  1 28.386 ? 123 PRO   A HD3  1 c 2 
ATOM   3466 N N    . SER   B 1 112 ? 4.041   -8.326  -19.153 1 30.737 ? 124 SER   A N    1 ? 2 
ATOM   3467 C CA   . SER   B 1 112 ? 3.72    -7.003  -19.624 1 32.911 ? 124 SER   A CA   1 ? 2 
ATOM   3468 C C    . SER   B 1 112 ? 3.862   -6.967  -21.154 1 32.546 ? 124 SER   A C    1 ? 2 
ATOM   3469 O O    . SER   B 1 112 ? 4.772   -7.557  -21.713 1 32.241 ? 124 SER   A O    1 ? 2 
ATOM   3470 C CB   . SER   B 1 112 ? 4.617   -6.051  -18.869 1 35.79  ? 124 SER   A CB   1 ? 2 
ATOM   3471 O OG   . SER   B 1 112 ? 4.492   -4.727  -19.339 1 40.376 ? 124 SER   A OG   1 ? 2 
ATOM   3472 H H    . SER   B 1 112 ? 4.72    -8.423  -18.547 1 32.441 ? 124 SER   A H    1 c 2 
ATOM   3473 H HA   . SER   B 1 112 ? 2.777   -6.808  -19.388 1 31.868 ? 124 SER   A HA   1 c 2 
ATOM   3474 H HB2  . SER   B 1 112 ? 4.389   -6.08   -17.921 1 36.812 ? 124 SER   A HB2  1 c 2 
ATOM   3475 H HB3  . SER   B 1 112 ? 5.544   -6.34   -18.966 1 37.317 ? 124 SER   A HB3  1 c 2 
ATOM   3476 H HG   . SER   B 1 112 ? 4.994   -4.195  -18.902 0 30     ? 124 SER   A HG   1 c 2 
ATOM   3477 N N    . ASN   B 1 113 ? 2.914   -6.33   -21.849 1 33.081 ? 125 ASN   A N    1 ? 2 
ATOM   3478 C CA   . ASN   B 1 113 ? 3.016   -6.085  -23.284 1 32.975 ? 125 ASN   A CA   1 ? 2 
ATOM   3479 C C    . ASN   B 1 113 ? 3.261   -7.381  -24.06  1 30.475 ? 125 ASN   A C    1 ? 2 
ATOM   3480 O O    . ASN   B 1 113 ? 4.047   -7.373  -25.018 1 28.832 ? 125 ASN   A O    1 ? 2 
ATOM   3481 C CB   . ASN   B 1 113 ? 4.141   -5.116  -23.642 1 37.367 ? 125 ASN   A CB   1 ? 2 
ATOM   3482 C CG   . ASN   B 1 113 ? 4.082   -3.793  -22.907 1 38.536 ? 125 ASN   A CG   1 ? 2 
ATOM   3483 O OD1  . ASN   B 1 113 ? 5.124   -3.327  -22.434 1 40.61  ? 125 ASN   A OD1  1 ? 2 
ATOM   3484 N ND2  . ASN   B 1 113 ? 2.929   -3.135  -22.883 1 37.991 ? 125 ASN   A ND2  1 ? 2 
ATOM   3485 H H    . ASN   B 1 113 ? 2.169   -6.035  -21.411 1 32.228 ? 125 ASN   A H    1 c 2 
ATOM   3486 H HA   . ASN   B 1 113 ? 2.174   -5.69   -23.59  1 32.425 ? 125 ASN   A HA   1 c 2 
ATOM   3487 H HB2  . ASN   B 1 113 ? 4.999   -5.542  -23.448 1 37.432 ? 125 ASN   A HB2  1 c 2 
ATOM   3488 H HB3  . ASN   B 1 113 ? 4.109   -4.938  -24.603 1 36.901 ? 125 ASN   A HB3  1 c 2 
ATOM   3489 H HD21 . ASN   B 1 113 ? 2.933   -2.249  -22.86  1 38.901 ? 125 ASN   A HD21 1 c 2 
ATOM   3490 H HD22 . ASN   B 1 113 ? 2.158   -3.572  -22.898 1 36.544 ? 125 ASN   A HD22 1 c 2 
ATOM   3491 N N    . ALA   B 1 114 ? 2.59    -8.463  -23.612 1 26.12  ? 126 ALA   A N    1 ? 2 
ATOM   3492 C CA   . ALA   B 1 114 ? 2.541   -9.72   -24.328 1 24.154 ? 126 ALA   A CA   1 ? 2 
ATOM   3493 C C    . ALA   B 1 114 ? 1.587   -9.61   -25.521 1 22.513 ? 126 ALA   A C    1 ? 2 
ATOM   3494 O O    . ALA   B 1 114 ? 0.543   -8.958  -25.396 1 21.773 ? 126 ALA   A O    1 ? 2 
ATOM   3495 C CB   . ALA   B 1 114 ? 2.076   -10.794 -23.365 1 23.327 ? 126 ALA   A CB   1 ? 2 
ATOM   3496 H H    . ALA   B 1 114 ? 2.131   -8.4    -22.824 1 26.08  ? 126 ALA   A H    1 c 2 
ATOM   3497 H HA   . ALA   B 1 114 ? 3.455   -9.937  -24.661 1 25.249 ? 126 ALA   A HA   1 c 2 
ATOM   3498 H HB1  . ALA   B 1 114 ? 2.669   -10.82  -22.596 1 24.106 ? 126 ALA   A HB1  1 c 2 
ATOM   3499 H HB2  . ALA   B 1 114 ? 1.172   -10.597 -23.067 1 22.573 ? 126 ALA   A HB2  1 c 2 
ATOM   3500 H HB3  . ALA   B 1 114 ? 2.087   -11.659 -23.809 1 23.42  ? 126 ALA   A HB3  1 c 2 
ATOM   3501 N N    . THR   B 1 115 ? 1.982   -10.223 -26.66  1 22.127 ? 127 THR   A N    1 ? 2 
ATOM   3502 C CA   . THR   B 1 115 ? 1.125   -10.506 -27.805 1 21.068 ? 127 THR   A CA   1 ? 2 
ATOM   3503 C C    . THR   B 1 115 ? 0.588   -11.918 -27.65  1 20.331 ? 127 THR   A C    1 ? 2 
ATOM   3504 O O    . THR   B 1 115 ? 1.344   -12.776 -27.275 1 21.642 ? 127 THR   A O    1 ? 2 
ATOM   3505 C CB   . THR   B 1 115 ? 1.947   -10.364 -29.086 1 22.836 ? 127 THR   A CB   1 ? 2 
ATOM   3506 O OG1  . THR   B 1 115 ? 2.267   -8.989  -29.121 1 23.792 ? 127 THR   A OG1  1 ? 2 
ATOM   3507 C CG2  . THR   B 1 115 ? 1.219   -10.728 -30.372 1 22.871 ? 127 THR   A CG2  1 ? 2 
ATOM   3508 H H    . THR   B 1 115 ? 2.857   -10.482 -26.716 1 23.149 ? 127 THR   A H    1 c 2 
ATOM   3509 H HA   . THR   B 1 115 ? 0.381   -9.866  -27.82  1 20.636 ? 127 THR   A HA   1 c 2 
ATOM   3510 H HB   . THR   B 1 115 ? 2.777   -10.894 -29.016 1 23.668 ? 127 THR   A HB   1 c 2 
ATOM   3511 H HG1  . THR   B 1 115 ? 1.487   -8.53   -29.146 0 30     ? 127 THR   A HG1  1 c 2 
ATOM   3512 H HG21 . THR   B 1 115 ? 1.824   -10.628 -31.126 1 24.259 ? 127 THR   A HG21 1 c 2 
ATOM   3513 H HG22 . THR   B 1 115 ? 0.457   -10.139 -30.492 1 22.38  ? 127 THR   A HG22 1 c 2 
ATOM   3514 H HG23 . THR   B 1 115 ? 0.912   -11.649 -30.326 1 22.618 ? 127 THR   A HG23 1 c 2 
ATOM   3515 N N    . LEU   B 1 116 ? -0.702  -12.154 -27.904 1 20.564 ? 128 LEU   A N    1 ? 2 
ATOM   3516 C CA   . LEU   B 1 116 ? -1.315  -13.467 -27.731 1 22.348 ? 128 LEU   A CA   1 ? 2 
ATOM   3517 C C    . LEU   B 1 116 ? -1.86   -14.004 -29.059 1 24.716 ? 128 LEU   A C    1 ? 2 
ATOM   3518 O O    . LEU   B 1 116 ? -2.275  -13.259 -29.953 1 23.292 ? 128 LEU   A O    1 ? 2 
ATOM   3519 C CB   . LEU   B 1 116 ? -2.439  -13.518 -26.7   1 21.799 ? 128 LEU   A CB   1 ? 2 
ATOM   3520 C CG   . LEU   B 1 116 ? -2.23   -12.807 -25.362 1 22.806 ? 128 LEU   A CG   1 ? 2 
ATOM   3521 C CD1  . LEU   B 1 116 ? -3.319  -13.27  -24.466 1 24.672 ? 128 LEU   A CD1  1 ? 2 
ATOM   3522 C CD2  . LEU   B 1 116 ? -0.959  -13.028 -24.628 1 25.163 ? 128 LEU   A CD2  1 ? 2 
ATOM   3523 H H    . LEU   B 1 116 ? -1.226  -11.465 -28.199 1 20.341 ? 128 LEU   A H    1 c 2 
ATOM   3524 H HA   . LEU   B 1 116 ? -0.602  -14.087 -27.436 1 22.982 ? 128 LEU   A HA   1 c 2 
ATOM   3525 H HB2  . LEU   B 1 116 ? -3.249  -13.146 -27.118 1 21.543 ? 128 LEU   A HB2  1 c 2 
ATOM   3526 H HB3  . LEU   B 1 116 ? -2.633  -14.466 -26.516 1 22.244 ? 128 LEU   A HB3  1 c 2 
ATOM   3527 H HG   . LEU   B 1 116 ? -2.341  -11.832 -25.507 1 23.006 ? 128 LEU   A HG   1 c 2 
ATOM   3528 H HD11 . LEU   B 1 116 ? -4.178  -13.128 -24.898 1 23.43  ? 128 LEU   A HD11 1 c 2 
ATOM   3529 H HD12 . LEU   B 1 116 ? -3.291  -12.769 -23.633 1 23.754 ? 128 LEU   A HD12 1 c 2 
ATOM   3530 H HD13 . LEU   B 1 116 ? -3.206  -14.216 -24.276 1 24.295 ? 128 LEU   A HD13 1 c 2 
ATOM   3531 H HD21 . LEU   B 1 116 ? -0.212  -12.726 -25.17  1 25.14  ? 128 LEU   A HD21 1 c 2 
ATOM   3532 H HD22 . LEU   B 1 116 ? -0.859  -13.974 -24.439 1 25.065 ? 128 LEU   A HD22 1 c 2 
ATOM   3533 H HD23 . LEU   B 1 116 ? -0.973  -12.531 -23.793 1 24.519 ? 128 LEU   A HD23 1 c 2 
ATOM   3534 N N    . PHE   B 1 117 ? -1.856  -15.343 -29.138 1 26.744 ? 129 PHE   A N    1 ? 2 
ATOM   3535 C CA   . PHE   B 1 117 ? -2.432  -16.052 -30.26  1 28.403 ? 129 PHE   A CA   1 ? 2 
ATOM   3536 C C    . PHE   B 1 117 ? -3.448  -17.027 -29.702 1 27.88  ? 129 PHE   A C    1 ? 2 
ATOM   3537 O O    . PHE   B 1 117 ? -3.15   -17.643 -28.698 1 29.996 ? 129 PHE   A O    1 ? 2 
ATOM   3538 C CB   . PHE   B 1 117 ? -1.336  -16.787 -31.016 1 30.106 ? 129 PHE   A CB   1 ? 2 
ATOM   3539 C CG   . PHE   B 1 117 ? -1.911  -17.664 -32.102 1 33.84  ? 129 PHE   A CG   1 ? 2 
ATOM   3540 C CD1  . PHE   B 1 117 ? -2.158  -17.15  -33.374 1 35.275 ? 129 PHE   A CD1  1 ? 2 
ATOM   3541 C CD2  . PHE   B 1 117 ? -2.223  -18.991 -31.849 1 35.694 ? 129 PHE   A CD2  1 ? 2 
ATOM   3542 C CE1  . PHE   B 1 117 ? -2.674  -17.95  -34.382 1 36.649 ? 129 PHE   A CE1  1 ? 2 
ATOM   3543 C CE2  . PHE   B 1 117 ? -2.717  -19.799 -32.877 1 40.368 ? 129 PHE   A CE2  1 ? 2 
ATOM   3544 C CZ   . PHE   B 1 117 ? -2.966  -19.27  -34.138 1 38.704 ? 129 PHE   A CZ   1 ? 2 
ATOM   3545 H H    . PHE   B 1 117 ? -1.478  -15.829 -28.462 1 26.704 ? 129 PHE   A H    1 c 2 
ATOM   3546 H HA   . PHE   B 1 117 ? -2.88   -15.409 -30.866 1 27.894 ? 129 PHE   A HA   1 c 2 
ATOM   3547 H HB2  . PHE   B 1 117 ? -0.727  -16.128 -31.417 1 31.017 ? 129 PHE   A HB2  1 c 2 
ATOM   3548 H HB3  . PHE   B 1 117 ? -0.828  -17.342 -30.383 1 30.973 ? 129 PHE   A HB3  1 c 2 
ATOM   3549 H HD1  . PHE   B 1 117 ? -1.957  -16.245 -33.554 1 34.701 ? 129 PHE   A HD1  1 c 2 
ATOM   3550 H HD2  . PHE   B 1 117 ? -2.049  -19.361 -30.999 1 35.798 ? 129 PHE   A HD2  1 c 2 
ATOM   3551 H HE1  . PHE   B 1 117 ? -2.831  -17.584 -35.238 1 37.737 ? 129 PHE   A HE1  1 c 2 
ATOM   3552 H HE2  . PHE   B 1 117 ? -2.928  -20.699 -32.699 1 39.863 ? 129 PHE   A HE2  1 c 2 
ATOM   3553 H HZ   . PHE   B 1 117 ? -3.321  -19.815 -34.823 1 40.294 ? 129 PHE   A HZ   1 c 2 
ATOM   3554 N N    . PHE   B 1 118 ? -4.616  -17.141 -30.341 1 28.29  ? 130 PHE   A N    1 ? 2 
ATOM   3555 C CA   . PHE   B 1 118 ? -5.594  -18.176 -30.034 1 26.854 ? 130 PHE   A CA   1 ? 2 
ATOM   3556 C C    . PHE   B 1 118 ? -6.097  -18.853 -31.307 1 29.144 ? 130 PHE   A C    1 ? 2 
ATOM   3557 O O    . PHE   B 1 118 ? -6.312  -18.231 -32.354 1 29.04  ? 130 PHE   A O    1 ? 2 
ATOM   3558 C CB   . PHE   B 1 118 ? -6.77   -17.49  -29.33  1 25.462 ? 130 PHE   A CB   1 ? 2 
ATOM   3559 C CG   . PHE   B 1 118 ? -6.559  -17.03  -27.878 1 23.66  ? 130 PHE   A CG   1 ? 2 
ATOM   3560 C CD1  . PHE   B 1 118 ? -6.769  -17.886 -26.792 1 24.79  ? 130 PHE   A CD1  1 ? 2 
ATOM   3561 C CD2  . PHE   B 1 118 ? -6.171  -15.735 -27.595 1 20.807 ? 130 PHE   A CD2  1 ? 2 
ATOM   3562 C CE1  . PHE   B 1 118 ? -6.624  -17.431 -25.471 1 24.434 ? 130 PHE   A CE1  1 ? 2 
ATOM   3563 C CE2  . PHE   B 1 118 ? -5.989  -15.304 -26.284 1 20.79  ? 130 PHE   A CE2  1 ? 2 
ATOM   3564 C CZ   . PHE   B 1 118 ? -6.242  -16.132 -25.224 1 21.583 ? 130 PHE   A CZ   1 ? 2 
ATOM   3565 H H    . PHE   B 1 118 ? -4.815  -16.541 -31.002 1 27.73  ? 130 PHE   A H    1 c 2 
ATOM   3566 H HA   . PHE   B 1 118 ? -5.188  -18.849 -29.431 1 27.819 ? 130 PHE   A HA   1 c 2 
ATOM   3567 H HB2  . PHE   B 1 118 ? -7.028  -16.708 -29.865 1 24.906 ? 130 PHE   A HB2  1 c 2 
ATOM   3568 H HB3  . PHE   B 1 118 ? -7.535  -18.108 -29.347 1 25.779 ? 130 PHE   A HB3  1 c 2 
ATOM   3569 H HD1  . PHE   B 1 118 ? -7.062  -18.769 -26.95  1 25.568 ? 130 PHE   A HD1  1 c 2 
ATOM   3570 H HD2  . PHE   B 1 118 ? -6.014  -15.135 -28.306 1 21.401 ? 130 PHE   A HD2  1 c 2 
ATOM   3571 H HE1  . PHE   B 1 118 ? -6.773  -18.024 -24.751 1 24.38  ? 130 PHE   A HE1  1 c 2 
ATOM   3572 H HE2  . PHE   B 1 118 ? -5.732  -14.411 -26.123 1 20.33  ? 130 PHE   A HE2  1 c 2 
ATOM   3573 H HZ   . PHE   B 1 118 ? -6.106  -15.832 -24.342 1 21.638 ? 130 PHE   A HZ   1 c 2 
ATOM   3574 N N    . GLU   B 1 119 ? -6.387  -20.138 -31.179 1 30.525 ? 131 GLU   A N    1 ? 2 
ATOM   3575 C CA   . GLU   B 1 119 ? -7.326  -20.792 -32.069 1 31.976 ? 131 GLU   A CA   1 ? 2 
ATOM   3576 C C    . GLU   B 1 119 ? -8.66   -20.986 -31.335 1 31.634 ? 131 GLU   A C    1 ? 2 
ATOM   3577 O O    . GLU   B 1 119 ? -8.705  -21.342 -30.153 1 30.122 ? 131 GLU   A O    1 ? 2 
ATOM   3578 C CB   . GLU   B 1 119 ? -6.647  -22.071 -32.543 1 34.007 ? 131 GLU   A CB   1 ? 2 
ATOM   3579 C CG   . GLU   B 1 119 ? -7.493  -22.892 -33.513 1 36.017 ? 131 GLU   A CG   1 ? 2 
ATOM   3580 C CD   . GLU   B 1 119 ? -6.742  -24.1   -34.026 1 38.517 ? 131 GLU   A CD   1 ? 2 
ATOM   3581 O OE1  . GLU   B 1 119 ? -5.886  -23.99  -34.922 1 39.726 ? 131 GLU   A OE1  1 ? 2 
ATOM   3582 O OE2  . GLU   B 1 119 ? -6.954  -25.157 -33.442 1 40.389 ? 131 GLU   A OE2  1 ? 2 
ATOM   3583 H H    . GLU   B 1 119 ? -5.988  -20.63  -30.52  1 30.714 ? 131 GLU   A H    1 c 2 
ATOM   3584 H HA   . GLU   B 1 119 ? -7.477  -20.208 -32.853 1 31.933 ? 131 GLU   A HA   1 c 2 
ATOM   3585 H HB2  . GLU   B 1 119 ? -5.802  -21.836 -32.98  1 34.415 ? 131 GLU   A HB2  1 c 2 
ATOM   3586 H HB3  . GLU   B 1 119 ? -6.435  -22.624 -31.762 1 34.229 ? 131 GLU   A HB3  1 c 2 
ATOM   3587 H HG2  . GLU   B 1 119 ? -8.309  -23.195 -33.059 1 35.867 ? 131 GLU   A HG2  1 c 2 
ATOM   3588 H HG3  . GLU   B 1 119 ? -7.756  -22.333 -34.274 1 35.878 ? 131 GLU   A HG3  1 c 2 
ATOM   3589 N N    . ILE   B 1 120 ? -9.755  -20.708 -32.031 1 32.014 ? 132 ILE   A N    1 ? 2 
ATOM   3590 C CA   . ILE   B 1 120 ? -11.058 -20.742 -31.393 1 33.182 ? 132 ILE   A CA   1 ? 2 
ATOM   3591 C C    . ILE   B 1 120 ? -12.041 -21.469 -32.295 1 36.567 ? 132 ILE   A C    1 ? 2 
ATOM   3592 O O    . ILE   B 1 120 ? -12.103 -21.203 -33.498 1 37.217 ? 132 ILE   A O    1 ? 2 
ATOM   3593 C CB   . ILE   B 1 120 ? -11.526 -19.312 -31.079 1 31.379 ? 132 ILE   A CB   1 ? 2 
ATOM   3594 C CG1  . ILE   B 1 120 ? -10.539 -18.615 -30.142 1 30.441 ? 132 ILE   A CG1  1 ? 2 
ATOM   3595 C CG2  . ILE   B 1 120 ? -12.933 -19.282 -30.5   1 30.703 ? 132 ILE   A CG2  1 ? 2 
ATOM   3596 C CD1  . ILE   B 1 120 ? -10.777 -17.126 -30.005 1 29.77  ? 132 ILE   A CD1  1 ? 2 
ATOM   3597 H H    . ILE   B 1 120 ? -9.697  -20.494 -32.918 1 32.907 ? 132 ILE   A H    1 c 2 
ATOM   3598 H HA   . ILE   B 1 120 ? -10.982 -21.232 -30.553 1 33.154 ? 132 ILE   A HA   1 c 2 
ATOM   3599 H HB   . ILE   B 1 120 ? -11.538 -18.813 -31.92  1 31.476 ? 132 ILE   A HB   1 c 2 
ATOM   3600 H HG12 . ILE   B 1 120 ? -10.601 -19.027 -29.256 1 30.396 ? 132 ILE   A HG12 1 c 2 
ATOM   3601 H HG13 . ILE   B 1 120 ? -9.631  -18.754 -30.475 1 30.759 ? 132 ILE   A HG13 1 c 2 
ATOM   3602 H HG21 . ILE   B 1 120 ? -13.178 -18.368 -30.28  1 29.779 ? 132 ILE   A HG21 1 c 2 
ATOM   3603 H HG22 . ILE   B 1 120 ? -12.965 -19.826 -29.695 1 31.063 ? 132 ILE   A HG22 1 c 2 
ATOM   3604 H HG23 . ILE   B 1 120 ? -13.563 -19.634 -31.151 1 32.044 ? 132 ILE   A HG23 1 c 2 
ATOM   3605 H HD11 . ILE   B 1 120 ? -10.932 -16.737 -30.887 1 29.803 ? 132 ILE   A HD11 1 c 2 
ATOM   3606 H HD12 . ILE   B 1 120 ? -9.995  -16.707 -29.6   1 28.781 ? 132 ILE   A HD12 1 c 2 
ATOM   3607 H HD13 . ILE   B 1 120 ? -11.558 -16.967 -29.441 1 29.126 ? 132 ILE   A HD13 1 c 2 
ATOM   3608 N N    . GLU   B 1 121 ? -12.791 -22.381 -31.673 1 37.214 ? 133 GLU   A N    1 ? 2 
ATOM   3609 C CA   . GLU   B 1 121 ? -13.974 -22.958 -32.274 1 40.127 ? 133 GLU   A CA   1 ? 2 
ATOM   3610 C C    . GLU   B 1 121 ? -15.208 -22.432 -31.553 1 38.496 ? 133 GLU   A C    1 ? 2 
ATOM   3611 O O    . GLU   B 1 121 ? -15.29  -22.471 -30.326 1 38.097 ? 133 GLU   A O    1 ? 2 
ATOM   3612 C CB   . GLU   B 1 121 ? -13.922 -24.484 -32.189 1 44.206 ? 133 GLU   A CB   1 ? 2 
ATOM   3613 C CG   . GLU   B 1 121 ? -15.071 -25.167 -32.928 1 48.124 ? 133 GLU   A CG   1 ? 2 
ATOM   3614 C CD   . GLU   B 1 121 ? -15.137 -26.685 -32.863 1 52.602 ? 133 GLU   A CD   1 ? 2 
ATOM   3615 O OE1  . GLU   B 1 121 ? -14.224 -27.305 -32.324 1 56.803 ? 133 GLU   A OE1  1 ? 2 
ATOM   3616 O OE2  . GLU   B 1 121 ? -16.108 -27.289 -33.343 1 57.495 ? 133 GLU   A OE2  1 ? 2 
ATOM   3617 H H    . GLU   B 1 121 ? -12.551 -22.659 -30.836 1 37.225 ? 133 GLU   A H    1 c 2 
ATOM   3618 H HA   . GLU   B 1 121 ? -14.01  -22.688 -33.224 1 40.461 ? 133 GLU   A HA   1 c 2 
ATOM   3619 H HB2  . GLU   B 1 121 ? -13.068 -24.794 -32.555 1 44.788 ? 133 GLU   A HB2  1 c 2 
ATOM   3620 H HB3  . GLU   B 1 121 ? -13.954 -24.747 -31.246 1 43.901 ? 133 GLU   A HB3  1 c 2 
ATOM   3621 H HG2  . GLU   B 1 121 ? -15.916 -24.815 -32.581 1 47.541 ? 133 GLU   A HG2  1 c 2 
ATOM   3622 H HG3  . GLU   B 1 121 ? -15.028 -24.909 -33.872 1 48.556 ? 133 GLU   A HG3  1 c 2 
ATOM   3623 N N    . LEU   B 1 122 ? -16.187 -21.989 -32.339 1 38.804 ? 134 LEU   A N    1 ? 2 
ATOM   3624 C CA   . LEU   B 1 122 ? -17.483 -21.606 -31.807 1 38.657 ? 134 LEU   A CA   1 ? 2 
ATOM   3625 C C    . LEU   B 1 122 ? -18.484 -22.744 -31.959 1 42.546 ? 134 LEU   A C    1 ? 2 
ATOM   3626 O O    . LEU   B 1 122 ? -18.915 -23.08  -33.055 1 44.657 ? 134 LEU   A O    1 ? 2 
ATOM   3627 C CB   . LEU   B 1 122 ? -18.013 -20.379 -32.532 1 38.724 ? 134 LEU   A CB   1 ? 2 
ATOM   3628 C CG   . LEU   B 1 122 ? -19.371 -19.865 -32.051 1 39.468 ? 134 LEU   A CG   1 ? 2 
ATOM   3629 C CD1  . LEU   B 1 122 ? -19.343 -19.751 -30.537 1 40.008 ? 134 LEU   A CD1  1 ? 2 
ATOM   3630 C CD2  . LEU   B 1 122 ? -19.703 -18.518 -32.666 1 37.899 ? 134 LEU   A CD2  1 ? 2 
ATOM   3631 H H    . LEU   B 1 122 ? -16.045 -21.921 -33.24  1 39.541 ? 134 LEU   A H    1 c 2 
ATOM   3632 H HA   . LEU   B 1 122 ? -17.376 -21.395 -30.846 1 37.937 ? 134 LEU   A HA   1 c 2 
ATOM   3633 H HB2  . LEU   B 1 122 ? -17.354 -19.655 -32.431 1 37.113 ? 134 LEU   A HB2  1 c 2 
ATOM   3634 H HB3  . LEU   B 1 122 ? -18.081 -20.593 -33.491 1 39.946 ? 134 LEU   A HB3  1 c 2 
ATOM   3635 H HG   . LEU   B 1 122 ? -20.071 -20.517 -32.312 1 41.313 ? 134 LEU   A HG   1 c 2 
ATOM   3636 H HD11 . LEU   B 1 122 ? -19.499 -20.624 -30.143 1 40.535 ? 134 LEU   A HD11 1 c 2 
ATOM   3637 H HD12 . LEU   B 1 122 ? -20.038 -19.138 -30.246 1 39.17  ? 134 LEU   A HD12 1 c 2 
ATOM   3638 H HD13 . LEU   B 1 122 ? -18.477 -19.416 -30.25  1 38.018 ? 134 LEU   A HD13 1 c 2 
ATOM   3639 H HD21 . LEU   B 1 122 ? -19.62  -18.572 -33.632 1 39.012 ? 134 LEU   A HD21 1 c 2 
ATOM   3640 H HD22 . LEU   B 1 122 ? -19.088 -17.845 -32.326 1 36.504 ? 134 LEU   A HD22 1 c 2 
ATOM   3641 H HD23 . LEU   B 1 122 ? -20.613 -18.27  -32.433 1 38.514 ? 134 LEU   A HD23 1 c 2 
ATOM   3642 N N    . LEU   B 1 123 ? -18.927 -23.259 -30.82  1 44.132 ? 135 LEU   A N    1 ? 2 
ATOM   3643 C CA   . LEU   B 1 123 ? -19.742 -24.449 -30.797 1 46.887 ? 135 LEU   A CA   1 ? 2 
ATOM   3644 C C    . LEU   B 1 123 ? -21.191 -24.044 -30.895 1 46.827 ? 135 LEU   A C    1 ? 2 
ATOM   3645 O O    . LEU   B 1 123 ? -21.962 -24.645 -31.622 1 47.743 ? 135 LEU   A O    1 ? 2 
ATOM   3646 C CB   . LEU   B 1 123 ? -19.469 -25.146 -29.476 1 48.836 ? 135 LEU   A CB   1 ? 2 
ATOM   3647 C CG   . LEU   B 1 123 ? -17.996 -25.408 -29.173 1 49.574 ? 135 LEU   A CG   1 ? 2 
ATOM   3648 C CD1  . LEU   B 1 123 ? -17.859 -26.151 -27.855 1 53.525 ? 135 LEU   A CD1  1 ? 2 
ATOM   3649 C CD2  . LEU   B 1 123 ? -17.358 -26.19  -30.309 1 50.509 ? 135 LEU   A CD2  1 ? 2 
ATOM   3650 H H    . LEU   B 1 123 ? -18.72  -22.85  -30.03  1 42.431 ? 135 LEU   A H    1 c 2 
ATOM   3651 H HA   . LEU   B 1 123 ? -19.498 -25.039 -31.555 1 48.544 ? 135 LEU   A HA   1 c 2 
ATOM   3652 H HB2  . LEU   B 1 123 ? -19.844 -24.594 -28.751 1 47.768 ? 135 LEU   A HB2  1 c 2 
ATOM   3653 H HB3  . LEU   B 1 123 ? -19.945 -26.009 -29.478 1 51.159 ? 135 LEU   A HB3  1 c 2 
ATOM   3654 H HG   . LEU   B 1 123 ? -17.53  -24.537 -29.089 1 47.332 ? 135 LEU   A HG   1 c 2 
ATOM   3655 H HD11 . LEU   B 1 123 ? -18.273 -25.632 -27.145 1 51.706 ? 135 LEU   A HD11 1 c 2 
ATOM   3656 H HD12 . LEU   B 1 123 ? -16.918 -26.283 -27.652 1 52.063 ? 135 LEU   A HD12 1 c 2 
ATOM   3657 H HD13 . LEU   B 1 123 ? -18.299 -27.015 -27.922 1 54.981 ? 135 LEU   A HD13 1 c 2 
ATOM   3658 H HD21 . LEU   B 1 123 ? -17.257 -25.614 -31.084 1 49.902 ? 135 LEU   A HD21 1 c 2 
ATOM   3659 H HD22 . LEU   B 1 123 ? -17.923 -26.946 -30.54  1 53.057 ? 135 LEU   A HD22 1 c 2 
ATOM   3660 H HD23 . LEU   B 1 123 ? -16.484 -26.513 -30.031 1 50.624 ? 135 LEU   A HD23 1 c 2 
ATOM   3661 N N    . ASP   B 1 124 ? -21.542 -23.027 -30.117 1 46.114 ? 136 ASP   A N    1 ? 2 
ATOM   3662 C CA   . ASP   B 1 124 ? -22.932 -22.619 -30.034 1 47.993 ? 136 ASP   A CA   1 ? 2 
ATOM   3663 C C    . ASP   B 1 124 ? -23.005 -21.255 -29.362 1 44.882 ? 136 ASP   A C    1 ? 2 
ATOM   3664 O O    . ASP   B 1 124 ? -22.01  -20.811 -28.804 1 44.889 ? 136 ASP   A O    1 ? 2 
ATOM   3665 C CB   . ASP   B 1 124 ? -23.759 -23.624 -29.248 1 49.714 ? 136 ASP   A CB   1 ? 2 
ATOM   3666 C CG   . ASP   B 1 124 ? -25.203 -23.745 -29.691 1 51.904 ? 136 ASP   A CG   1 ? 2 
ATOM   3667 O OD1  . ASP   B 1 124 ? -25.543 -23.153 -30.725 1 52.437 ? 136 ASP   A OD1  1 ? 2 
ATOM   3668 O OD2  . ASP   B 1 124 ? -25.961 -24.436 -29.008 1 55.039 ? 136 ASP   A OD2  1 ? 2 
ATOM   3669 H H    . ASP   B 1 124 ? -20.916 -22.585 -29.619 1 44.271 ? 136 ASP   A H    1 c 2 
ATOM   3670 H HA   . ASP   B 1 124 ? -23.288 -22.541 -30.947 1 48.347 ? 136 ASP   A HA   1 c 2 
ATOM   3671 H HB2  . ASP   B 1 124 ? -23.348 -24.51  -29.32  1 50.994 ? 136 ASP   A HB2  1 c 2 
ATOM   3672 H HB3  . ASP   B 1 124 ? -23.753 -23.371 -28.301 1 49.029 ? 136 ASP   A HB3  1 c 2 
ATOM   3673 N N    . PHE   B 1 125 ? -24.185 -20.619 -29.44  1 44.84  ? 137 PHE   A N    1 ? 2 
ATOM   3674 C CA   . PHE   B 1 125 ? -24.52  -19.48  -28.609 1 41.857 ? 137 PHE   A CA   1 ? 2 
ATOM   3675 C C    . PHE   B 1 125 ? -26.028 -19.384 -28.499 1 43.059 ? 137 PHE   A C    1 ? 2 
ATOM   3676 O O    . PHE   B 1 125 ? -26.709 -19.731 -29.426 1 44.404 ? 137 PHE   A O    1 ? 2 
ATOM   3677 C CB   . PHE   B 1 125 ? -23.875 -18.231 -29.202 1 39.244 ? 137 PHE   A CB   1 ? 2 
ATOM   3678 C CG   . PHE   B 1 125 ? -24.304 -17.907 -30.625 1 39.236 ? 137 PHE   A CG   1 ? 2 
ATOM   3679 C CD1  . PHE   B 1 125 ? -23.616 -18.436 -31.707 1 39.705 ? 137 PHE   A CD1  1 ? 2 
ATOM   3680 C CD2  . PHE   B 1 125 ? -25.356 -17.034 -30.883 1 39.509 ? 137 PHE   A CD2  1 ? 2 
ATOM   3681 C CE1  . PHE   B 1 125 ? -23.992 -18.13  -33.007 1 41.272 ? 137 PHE   A CE1  1 ? 2 
ATOM   3682 C CE2  . PHE   B 1 125 ? -25.699 -16.697 -32.185 1 40.739 ? 137 PHE   A CE2  1 ? 2 
ATOM   3683 C CZ   . PHE   B 1 125 ? -25.019 -17.25  -33.242 1 42.26  ? 137 PHE   A CZ   1 ? 2 
ATOM   3684 H H    . PHE   B 1 125 ? -24.802 -20.911 -30.047 1 46.225 ? 137 PHE   A H    1 c 2 
ATOM   3685 H HA   . PHE   B 1 125 ? -24.143 -19.634 -27.706 1 41.366 ? 137 PHE   A HA   1 c 2 
ATOM   3686 H HB2  . PHE   B 1 125 ? -24.093 -17.466 -28.625 1 38.391 ? 137 PHE   A HB2  1 c 2 
ATOM   3687 H HB3  . PHE   B 1 125 ? -22.899 -18.347 -29.185 1 37.988 ? 137 PHE   A HB3  1 c 2 
ATOM   3688 H HD1  . PHE   B 1 125 ? -22.902 -19.034 -31.555 1 39.475 ? 137 PHE   A HD1  1 c 2 
ATOM   3689 H HD2  . PHE   B 1 125 ? -25.817 -16.637 -30.161 1 39.603 ? 137 PHE   A HD2  1 c 2 
ATOM   3690 H HE1  . PHE   B 1 125 ? -23.516 -18.503 -33.732 1 41.733 ? 137 PHE   A HE1  1 c 2 
ATOM   3691 H HE2  . PHE   B 1 125 ? -26.423 -16.112 -32.343 1 41.646 ? 137 PHE   A HE2  1 c 2 
ATOM   3692 H HZ   . PHE   B 1 125 ? -25.273 -17.045 -34.128 1 42.984 ? 137 PHE   A HZ   1 c 2 
ATOM   3693 N N    . LYS   B 1 126 ? -26.514 -18.906 -27.355 1 46.942 ? 138 LYS   A N    1 ? 2 
ATOM   3694 C CA   . LYS   B 1 126 ? -27.928 -18.887 -27.002 1 52.499 ? 138 LYS   A CA   1 ? 2 
ATOM   3695 C C    . LYS   B 1 126 ? -28.195 -17.525 -26.357 1 51.537 ? 138 LYS   A C    1 ? 2 
ATOM   3696 O O    . LYS   B 1 126 ? -27.275 -16.921 -25.789 1 47.061 ? 138 LYS   A O    1 ? 2 
ATOM   3697 C CB   . LYS   B 1 126 ? -28.304 -20.058 -26.065 1 54.163 ? 138 LYS   A CB   1 ? 2 
ATOM   3698 H H    . LYS   B 1 126 ? -25.919 -18.567 -26.749 1 45.153 ? 138 LYS   A H    1 c 2 
ATOM   3699 H HA   . LYS   B 1 126 ? -28.463 -18.954 -27.833 1 52.804 ? 138 LYS   A HA   1 c 2 
ATOM   3700 H HB2  . LYS   B 1 126 ? -27.391 -20.454 -25.69  0 30     ? 138 LYS   A HB2  1 c 2 
ATOM   3701 H HB3  . LYS   B 1 126 ? -29.203 -20.141 -25.96  0 30     ? 138 LYS   A HB3  1 c 2 
ATOM   3702 N N    . GLY   B 1 127 ? -29.451 -17.066 -26.443 1 53.425 ? 139 GLY   A N    1 ? 2 
ATOM   3703 C CA   . GLY   B 1 127 ? -29.831 -15.756 -25.948 1 54.671 ? 139 GLY   A CA   1 ? 2 
ATOM   3704 C C    . GLY   B 1 127 ? -29.919 -15.764 -24.427 1 59.677 ? 139 GLY   A C    1 ? 2 
ATOM   3705 O O    . GLY   B 1 127 ? -30.394 -16.746 -23.855 1 68.008 ? 139 GLY   A O    1 ? 2 
ATOM   3706 H H    . GLY   B 1 127 ? -30.093 -17.593 -26.825 1 55.556 ? 139 GLY   A H    1 c 2 
ATOM   3707 H HA2  . GLY   B 1 127 ? -29.165 -15.091 -26.242 1 53.367 ? 139 GLY   A HA2  1 c 2 
ATOM   3708 H HA3  . GLY   B 1 127 ? -30.704 -15.506 -26.33  1 56.674 ? 139 GLY   A HA3  1 c 2 
ATOM   3709 N N    . GLU   B 1 128 ? -29.447 -14.681 -23.784 1 60.2   ? 140 GLU   A N    1 ? 2 
ATOM   3710 C CA   . GLU   B 1 128 ? -29.643 -14.486 -22.352 1 61.95  ? 140 GLU   A CA   1 ? 2 
ATOM   3711 C C    . GLU   B 1 128 ? -31.089 -14.932 -22.037 1 65.646 ? 140 GLU   A C    1 ? 2 
ATOM   3712 O O    . GLU   B 1 128 ? -31.994 -14.444 -22.735 1 64.357 ? 140 GLU   A O    1 ? 2 
ATOM   3713 C CB   . GLU   B 1 128 ? -29.303 -13.05  -21.919 1 62.152 ? 140 GLU   A CB   1 ? 2 
ATOM   3714 O OXT  . GLU   B 1 128 ? -31.255 -15.82  -21.165 1 68.496 ? 140 GLU   A OXT  1 ? 2 
ATOM   3715 H H    . GLU   B 1 128 ? -28.987 -14.047 -24.256 1 58.344 ? 140 GLU   A H    1 c 2 
ATOM   3716 H HA   . GLU   B 1 128 ? -29.025 -15.097 -21.876 1 61.616 ? 140 GLU   A HA   1 c 2 
ATOM   3717 H HB2  . GLU   B 1 128 ? -28.181 -13.175 -22.011 0 30     ? 140 GLU   A HB2  1 c 2 
ATOM   3718 H HB3  . GLU   B 1 128 ? -29.948 -12.633 -21.829 0 30     ? 140 GLU   A HB3  1 c 2 
HETATM 3719 C C4   . A1IOA C 2 .   ? -15.306 3.104   -13.99  1 30.544 ? 201 A1IOA B C4   1 ? 1 
HETATM 3720 C C14  . A1IOA C 2 .   ? -19.818 2.516   -15.329 1 42.088 ? 201 A1IOA B C14  1 ? 1 
HETATM 3721 C C5   . A1IOA C 2 .   ? -15.598 4.335   -14.56  1 34.451 ? 201 A1IOA B C5   1 ? 1 
HETATM 3722 C C6   . A1IOA C 2 .   ? -15.779 4.466   -15.921 1 38.247 ? 201 A1IOA B C6   1 ? 1 
HETATM 3723 C C11  . A1IOA C 2 .   ? -18.688 6.226   -16.406 1 53.905 ? 201 A1IOA B C11  1 ? 1 
HETATM 3724 C C7   . A1IOA C 2 .   ? -15.631 3.362   -16.736 1 36.302 ? 201 A1IOA B C7   1 ? 1 
HETATM 3725 C C8   . A1IOA C 2 .   ? -17.105 3.193   -18.569 1 39.707 ? 201 A1IOA B C8   1 ? 1 
HETATM 3726 C C9   . A1IOA C 2 .   ? -16.301 6.84    -15.916 1 50.894 ? 201 A1IOA B C9   1 ? 1 
HETATM 3727 C C10  . A1IOA C 2 .   ? -17.698 6.721   -15.371 1 51.558 ? 201 A1IOA B C10  1 ? 1 
HETATM 3728 C C12  . A1IOA C 2 .   ? -20.668 4.712   -16.236 1 52.122 ? 201 A1IOA B C12  1 ? 1 
HETATM 3729 C C13  . A1IOA C 2 .   ? -19.971 3.405   -16.313 1 47.73  ? 201 A1IOA B C13  1 ? 1 
HETATM 3730 N N1   . A1IOA C 2 .   ? -17.058 1.951   -11.681 1 28.486 ? 201 A1IOA B N1   1 ? 1 
HETATM 3731 C C3   . A1IOA C 2 .   ? -15.151 2       -14.81  1 29.459 ? 201 A1IOA B C3   1 ? 1 
HETATM 3732 C C1   . A1IOA C 2 .   ? -14.477 -0.025  -16.657 1 29.319 ? 201 A1IOA B C1   1 ? 1 
HETATM 3733 O O1   . A1IOA C 2 .   ? -15.192 1.12    -17.075 1 31.091 ? 201 A1IOA B O1   1 ? 1 
HETATM 3734 C C2   . A1IOA C 2 .   ? -15.312 2.132   -16.173 1 32.585 ? 201 A1IOA B C2   1 ? 1 
HETATM 3735 O O2   . A1IOA C 2 .   ? -15.794 3.493   -18.098 1 38.767 ? 201 A1IOA B O2   1 ? 1 
HETATM 3736 O O3   . A1IOA C 2 .   ? -16.049 5.614   -16.626 1 49.506 ? 201 A1IOA B O3   1 ? 1 
HETATM 3737 O O4   . A1IOA C 2 .   ? -19.819 5.746   -15.685 1 56.025 ? 201 A1IOA B O4   1 ? 1 
HETATM 3738 C C15  . A1IOA C 2 .   ? -19.072 1.235   -15.6   1 37.219 ? 201 A1IOA B C15  1 ? 1 
HETATM 3739 C C16  . A1IOA C 2 .   ? -19.19  0.205   -14.566 1 33.337 ? 201 A1IOA B C16  1 ? 1 
HETATM 3740 O O5   . A1IOA C 2 .   ? -18.351 0.677   -13.486 1 30.669 ? 201 A1IOA B O5   1 ? 1 
HETATM 3741 C C17  . A1IOA C 2 .   ? -18.604 0.133   -12.321 1 26.607 ? 201 A1IOA B C17  1 ? 1 
HETATM 3742 O O6   . A1IOA C 2 .   ? -19.423 -0.705  -12.161 1 25.802 ? 201 A1IOA B O6   1 ? 1 
HETATM 3743 C C18  . A1IOA C 2 .   ? -17.808 0.762   -11.213 1 27.185 ? 201 A1IOA B C18  1 ? 1 
HETATM 3744 C C19  . A1IOA C 2 .   ? -18.814 1.096   -10.106 1 27.18  ? 201 A1IOA B C19  1 ? 1 
HETATM 3745 C C20  . A1IOA C 2 .   ? -19.702 2.291   -10.422 1 27.222 ? 201 A1IOA B C20  1 ? 1 
HETATM 3746 C C21  . A1IOA C 2 .   ? -18.806 3.458   -10.707 1 29.024 ? 201 A1IOA B C21  1 ? 1 
HETATM 3747 C C22  . A1IOA C 2 .   ? -17.862 3.163   -11.916 1 29.841 ? 201 A1IOA B C22  1 ? 1 
HETATM 3748 C C23  . A1IOA C 2 .   ? -15.734 1.86    -11.885 1 26.309 ? 201 A1IOA B C23  1 ? 1 
HETATM 3749 O O7   . A1IOA C 2 .   ? -15.12  0.823   -11.662 1 24.956 ? 201 A1IOA B O7   1 ? 1 
HETATM 3750 C C24  . A1IOA C 2 .   ? -15.024 3.007   -12.497 1 28.1   ? 201 A1IOA B C24  1 ? 1 
HETATM 3751 C C25  . A1IOA C 2 .   ? -13.501 2.842   -12.25  1 27.355 ? 201 A1IOA B C25  1 ? 1 
HETATM 3752 C C26  . A1IOA C 2 .   ? -13.137 3.001   -10.768 1 26.9   ? 201 A1IOA B C26  1 ? 1 
HETATM 3753 C C27  . A1IOA C 2 .   ? -11.621 2.94    -10.486 1 27.335 ? 201 A1IOA B C27  1 ? 1 
HETATM 3754 C C28  . A1IOA C 2 .   ? -10.845 3.944   -11.292 1 29.081 ? 201 A1IOA B C28  1 ? 1 
HETATM 3755 C C29  . A1IOA C 2 .   ? -11.18  3.727   -12.776 1 30.146 ? 201 A1IOA B C29  1 ? 1 
HETATM 3756 C C30  . A1IOA C 2 .   ? -12.685 3.822   -13.097 1 28.973 ? 201 A1IOA B C30  1 ? 1 
HETATM 3757 H H18  . A1IOA C 2 .   ? -20.187 2.699   -14.472 1 41.371 ? 201 A1IOA B H18  1 c 1 
HETATM 3758 H H5   . A1IOA C 2 .   ? -15.672 5.092   -14.002 1 34.899 ? 201 A1IOA B H5   1 c 1 
HETATM 3759 H H13  . A1IOA C 2 .   ? -18.3   5.499   -16.941 1 53.775 ? 201 A1IOA B H13  1 c 1 
HETATM 3760 H H14  . A1IOA C 2 .   ? -18.958 6.959   -17.003 1 56.18  ? 201 A1IOA B H14  1 c 1 
HETATM 3761 H H7   . A1IOA C 2 .   ? -17.071 3.014   -19.522 1 40.927 ? 201 A1IOA B H7   1 c 1 
HETATM 3762 H H8   . A1IOA C 2 .   ? -17.689 3.95    -18.403 1 40.438 ? 201 A1IOA B H8   1 c 1 
HETATM 3763 H H6   . A1IOA C 2 .   ? -17.447 2.412   -18.105 1 38.166 ? 201 A1IOA B H6   1 c 1 
HETATM 3764 H H10  . A1IOA C 2 .   ? -15.652 6.959   -15.189 1 49.988 ? 201 A1IOA B H10  1 c 1 
HETATM 3765 H H9   . A1IOA C 2 .   ? -16.234 7.607   -16.527 1 52.895 ? 201 A1IOA B H9   1 c 1 
HETATM 3766 H H11  . A1IOA C 2 .   ? -17.991 7.601   -15.051 1 52.42  ? 201 A1IOA B H11  1 c 1 
HETATM 3767 H H12  . A1IOA C 2 .   ? -17.696 6.099   -14.611 1 49.576 ? 201 A1IOA B H12  1 c 1 
HETATM 3768 H H16  . A1IOA C 2 .   ? -21.47  4.623   -15.666 1 51.935 ? 201 A1IOA B H16  1 c 1 
HETATM 3769 H H15  . A1IOA C 2 .   ? -20.957 4.985   -17.141 1 54.053 ? 201 A1IOA B H15  1 c 1 
HETATM 3770 H H17  . A1IOA C 2 .   ? -19.592 3.189   -17.159 1 47.975 ? 201 A1IOA B H17  1 c 1 
HETATM 3771 H H4   . A1IOA C 2 .   ? -14.918 1.165   -14.434 1 28.806 ? 201 A1IOA B H4   1 c 1 
HETATM 3772 H H2   . A1IOA C 2 .   ? -14.287 -0.584  -17.428 1 29.978 ? 201 A1IOA B H2   1 c 1 
HETATM 3773 H H3   . A1IOA C 2 .   ? -15.012 -0.526  -16.02  1 28.232 ? 201 A1IOA B H3   1 c 1 
HETATM 3774 H H1   . A1IOA C 2 .   ? -13.642 0.245   -16.241 1 29.176 ? 201 A1IOA B H1   1 c 1 
HETATM 3775 H H20  . A1IOA C 2 .   ? -19.394 0.854   -16.442 1 38.416 ? 201 A1IOA B H20  1 c 1 
HETATM 3776 H H19  . A1IOA C 2 .   ? -18.123 1.441   -15.715 1 37.43  ? 201 A1IOA B H19  1 c 1 
HETATM 3777 H H22  . A1IOA C 2 .   ? -20.122 0.126   -14.274 1 33.411 ? 201 A1IOA B H22  1 c 1 
HETATM 3778 H H21  . A1IOA C 2 .   ? -18.874 -0.663  -14.892 1 32.992 ? 201 A1IOA B H21  1 c 1 
HETATM 3779 H H23  . A1IOA C 2 .   ? -17.158 0.092   -10.871 1 26.064 ? 201 A1IOA B H23  1 c 1 
HETATM 3780 H H25  . A1IOA C 2 .   ? -19.385 0.308   -9.937  1 26.312 ? 201 A1IOA B H25  1 c 1 
HETATM 3781 H H24  . A1IOA C 2 .   ? -18.316 1.284   -9.274  1 26.243 ? 201 A1IOA B H24  1 c 1 
HETATM 3782 H H26  . A1IOA C 2 .   ? -20.288 2.492   -9.657  1 27.665 ? 201 A1IOA B H26  1 c 1 
HETATM 3783 H H27  . A1IOA C 2 .   ? -20.267 2.098   -11.206 1 28.433 ? 201 A1IOA B H27  1 c 1 
HETATM 3784 H H28  . A1IOA C 2 .   ? -18.265 3.656   -9.913  1 28.384 ? 201 A1IOA B H28  1 c 1 
HETATM 3785 H H29  . A1IOA C 2 .   ? -19.352 4.247   -10.907 1 30.042 ? 201 A1IOA B H29  1 c 1 
HETATM 3786 H H30  . A1IOA C 2 .   ? -17.27  3.935   -12.057 1 30.547 ? 201 A1IOA B H30  1 c 1 
HETATM 3787 H H31  . A1IOA C 2 .   ? -18.402 3.043   -12.73  1 30.547 ? 201 A1IOA B H31  1 c 1 
HETATM 3788 H H32  . A1IOA C 2 .   ? -15.331 3.845   -12.066 1 28.686 ? 201 A1IOA B H32  1 c 1 
HETATM 3789 H H33  . A1IOA C 2 .   ? -13.243 1.924   -12.528 1 26.826 ? 201 A1IOA B H33  1 c 1 
HETATM 3790 H H35  . A1IOA C 2 .   ? -13.484 3.858   -10.446 1 27.466 ? 201 A1IOA B H35  1 c 1 
HETATM 3791 H H34  . A1IOA C 2 .   ? -13.577 2.295   -10.255 1 25.746 ? 201 A1IOA B H34  1 c 1 
HETATM 3792 H H36  . A1IOA C 2 .   ? -11.292 2.037   -10.693 1 26.568 ? 201 A1IOA B H36  1 c 1 
HETATM 3793 H H37  . A1IOA C 2 .   ? -11.465 3.105   -9.53   1 26.875 ? 201 A1IOA B H37  1 c 1 
HETATM 3794 H H38  . A1IOA C 2 .   ? -9.882  3.822   -11.144 1 29.511 ? 201 A1IOA B H38  1 c 1 
HETATM 3795 H H39  . A1IOA C 2 .   ? -11.092 4.855   -11.022 1 29.999 ? 201 A1IOA B H39  1 c 1 
HETATM 3796 H H40  . A1IOA C 2 .   ? -10.853 2.841   -13.049 1 29.274 ? 201 A1IOA B H40  1 c 1 
HETATM 3797 H H41  . A1IOA C 2 .   ? -10.699 4.397   -13.311 1 31.422 ? 201 A1IOA B H41  1 c 1 
HETATM 3798 H H43  . A1IOA C 2 .   ? -12.996 4.734   -12.928 1 30.16  ? 201 A1IOA B H43  1 c 1 
HETATM 3799 H H42  . A1IOA C 2 .   ? -12.822 3.627   -14.047 1 29.989 ? 201 A1IOA B H42  1 c 1 
HETATM 3800 C C4   . A1IOA D 2 .   ? -5.8    -17.444 -19.598 1 25.369 ? 201 A1IOA A C4   1 ? 2 
HETATM 3801 C C14  . A1IOA D 2 .   ? -10.315 -16.225 -17.766 1 32.085 ? 201 A1IOA A C14  1 ? 2 
HETATM 3802 C C5   . A1IOA D 2 .   ? -6.213  -18.607 -18.952 1 27.257 ? 201 A1IOA A C5   1 ? 2 
HETATM 3803 C C6   . A1IOA D 2 .   ? -6.352  -18.641 -17.564 1 29.134 ? 201 A1IOA A C6   1 ? 2 
HETATM 3804 C C11  . A1IOA D 2 .   ? -9.466  -20.391 -17.168 1 39.474 ? 201 A1IOA A C11  1 ? 2 
HETATM 3805 C C7   . A1IOA D 2 .   ? -6.022  -17.519 -16.817 1 28.176 ? 201 A1IOA A C7   1 ? 2 
HETATM 3806 C C8   . A1IOA D 2 .   ? -7.48   -17.383 -14.91  1 31.587 ? 201 A1IOA A C8   1 ? 2 
HETATM 3807 C C9   . A1IOA D 2 .   ? -7.025  -20.929 -17.329 1 36.355 ? 201 A1IOA A C9   1 ? 2 
HETATM 3808 C C10  . A1IOA D 2 .   ? -8.345  -20.901 -18.037 1 37.687 ? 201 A1IOA A C10  1 ? 2 
HETATM 3809 C C12  . A1IOA D 2 .   ? -10.974 -18.555 -17.247 1 39.596 ? 201 A1IOA A C12  1 ? 2 
HETATM 3810 C C13  . A1IOA D 2 .   ? -11.061 -17.283 -18.023 1 37.003 ? 201 A1IOA A C13  1 ? 2 
HETATM 3811 N N1   . A1IOA D 2 .   ? -7.751  -16.285 -21.875 1 20.918 ? 201 A1IOA A N1   1 ? 2 
HETATM 3812 C C3   . A1IOA D 2 .   ? -5.531  -16.316 -18.844 1 24.672 ? 201 A1IOA A C3   1 ? 2 
HETATM 3813 C C1   . A1IOA D 2 .   ? -5.362  -14.04  -17.098 1 23.965 ? 201 A1IOA A C1   1 ? 2 
HETATM 3814 O O1   . A1IOA D 2 .   ? -5.339  -15.371 -16.603 1 25.191 ? 201 A1IOA A O1   1 ? 2 
HETATM 3815 C C2   . A1IOA D 2 .   ? -5.62   -16.375 -17.465 1 25.152 ? 201 A1IOA A C2   1 ? 2 
HETATM 3816 O O2   . A1IOA D 2 .   ? -6.15   -17.514 -15.434 1 31.929 ? 201 A1IOA A O2   1 ? 2 
HETATM 3817 O O3   . A1IOA D 2 .   ? -6.782  -19.656 -16.747 1 31.8   ? 201 A1IOA A O3   1 ? 2 
HETATM 3818 O O4   . A1IOA D 2 .   ? -9.837  -19.184 -17.811 1 39.539 ? 201 A1IOA A O4   1 ? 2 
HETATM 3819 C C15  . A1IOA D 2 .   ? -10.451 -14.92  -18.359 1 29.048 ? 201 A1IOA A C15  1 ? 2 
HETATM 3820 C C16  . A1IOA D 2 .   ? -9.124  -14.348 -18.756 1 26.689 ? 201 A1IOA A C16  1 ? 2 
HETATM 3821 O O5   . A1IOA D 2 .   ? -8.756  -15.038 -19.974 1 23.313 ? 201 A1IOA A O5   1 ? 2 
HETATM 3822 C C17  . A1IOA D 2 .   ? -9.118  -14.449 -21.093 1 19.563 ? 201 A1IOA A C17  1 ? 2 
HETATM 3823 O O6   . A1IOA D 2 .   ? -9.835  -13.509 -21.118 1 18.978 ? 201 A1IOA A O6   1 ? 2 
HETATM 3824 C C18  . A1IOA D 2 .   ? -8.485  -15.094 -22.308 1 19.561 ? 201 A1IOA A C18  1 ? 2 
HETATM 3825 C C19  . A1IOA D 2 .   ? -9.554  -15.466 -23.336 1 19.806 ? 201 A1IOA A C19  1 ? 2 
HETATM 3826 C C20  . A1IOA D 2 .   ? -10.493 -16.547 -22.843 1 20.112 ? 201 A1IOA A C20  1 ? 2 
HETATM 3827 C C21  . A1IOA D 2 .   ? -9.692  -17.744 -22.512 1 21.625 ? 201 A1IOA A C21  1 ? 2 
HETATM 3828 C C22  . A1IOA D 2 .   ? -8.601  -17.428 -21.49  1 22.418 ? 201 A1IOA A C22  1 ? 2 
HETATM 3829 C C23  . A1IOA D 2 .   ? -6.423  -16.212 -21.681 1 21.208 ? 201 A1IOA A C23  1 ? 2 
HETATM 3830 O O7   . A1IOA D 2 .   ? -5.857  -15.176 -21.877 1 19.272 ? 201 A1IOA A O7   1 ? 2 
HETATM 3831 C C24  . A1IOA D 2 .   ? -5.62   -17.354 -21.106 1 24.238 ? 201 A1IOA A C24  1 ? 2 
HETATM 3832 C C25  . A1IOA D 2 .   ? -4.121  -17.135 -21.454 1 24.333 ? 201 A1IOA A C25  1 ? 2 
HETATM 3833 C C26  . A1IOA D 2 .   ? -3.885  -17.198 -22.973 1 23.963 ? 201 A1IOA A C26  1 ? 2 
HETATM 3834 C C27  . A1IOA D 2 .   ? -2.414  -17.354 -23.406 1 23.971 ? 201 A1IOA A C27  1 ? 2 
HETATM 3835 C C28  . A1IOA D 2 .   ? -1.605  -18.315 -22.601 1 25.412 ? 201 A1IOA A C28  1 ? 2 
HETATM 3836 C C29  . A1IOA D 2 .   ? -1.789  -18.039 -21.125 1 25.776 ? 201 A1IOA A C29  1 ? 2 
HETATM 3837 C C30  . A1IOA D 2 .   ? -3.255  -18.17  -20.738 1 25.374 ? 201 A1IOA A C30  1 ? 2 
HETATM 3838 H H18  . A1IOA D 2 .   ? -9.62   -16.33  -17.126 1 33.102 ? 201 A1IOA A H18  1 c 2 
HETATM 3839 H H5   . A1IOA D 2 .   ? -6.438  -19.365 -19.466 1 27.967 ? 201 A1IOA A H5   1 c 2 
HETATM 3840 H H13  . A1IOA D 2 .   ? -9.157  -20.214 -16.252 1 40.224 ? 201 A1IOA A H13  1 c 2 
HETATM 3841 H H14  . A1IOA D 2 .   ? -10.22  -21.022 -17.159 1 40.685 ? 201 A1IOA A H14  1 c 2 
HETATM 3842 H H7   . A1IOA D 2 .   ? -7.447  -17.396 -13.94  1 33.143 ? 201 A1IOA A H7   1 c 2 
HETATM 3843 H H8   . A1IOA D 2 .   ? -8.028  -18.118 -15.226 1 32.169 ? 201 A1IOA A H8   1 c 2 
HETATM 3844 H H6   . A1IOA D 2 .   ? -7.862  -16.542 -15.21  1 30.741 ? 201 A1IOA A H6   1 c 2 
HETATM 3845 H H10  . A1IOA D 2 .   ? -6.306  -21.151 -17.962 1 35.591 ? 201 A1IOA A H10  1 c 2 
HETATM 3846 H H9   . A1IOA D 2 .   ? -7.036  -21.617 -16.627 1 37.618 ? 201 A1IOA A H9   1 c 2 
HETATM 3847 H H11  . A1IOA D 2 .   ? -8.564  -21.811 -18.327 1 38.744 ? 201 A1IOA A H11  1 c 2 
HETATM 3848 H H12  . A1IOA D 2 .   ? -8.275  -20.335 -18.835 1 36.022 ? 201 A1IOA A H12  1 c 2 
HETATM 3849 H H16  . A1IOA D 2 .   ? -11.79  -19.099 -17.37  1 40.285 ? 201 A1IOA A H16  1 c 2 
HETATM 3850 H H15  . A1IOA D 2 .   ? -10.849 -18.373 -16.284 1 40.281 ? 201 A1IOA A H15  1 c 2 
HETATM 3851 H H17  . A1IOA D 2 .   ? -11.682 -17.227 -18.739 1 35.617 ? 201 A1IOA A H17  1 c 2 
HETATM 3852 H H4   . A1IOA D 2 .   ? -5.191  -15.542 -19.266 1 23.81  ? 201 A1IOA A H4   1 c 2 
HETATM 3853 H H2   . A1IOA D 2 .   ? -5.282  -13.419 -16.356 1 24.495 ? 201 A1IOA A H2   1 c 2 
HETATM 3854 H H3   . A1IOA D 2 .   ? -6.199  -13.882 -17.563 1 23.348 ? 201 A1IOA A H3   1 c 2 
HETATM 3855 H H1   . A1IOA D 2 .   ? -4.62   -13.909 -17.71  1 23.547 ? 201 A1IOA A H1   1 c 2 
HETATM 3856 H H20  . A1IOA D 2 .   ? -11.022 -14.977 -19.151 1 28.596 ? 201 A1IOA A H20  1 c 2 
HETATM 3857 H H19  . A1IOA D 2 .   ? -10.876 -14.313 -17.721 1 29.426 ? 201 A1IOA A H19  1 c 2 
HETATM 3858 H H22  . A1IOA D 2 .   ? -9.189  -13.382 -18.908 1 25.652 ? 201 A1IOA A H22  1 c 2 
HETATM 3859 H H21  . A1IOA D 2 .   ? -8.458  -14.515 -18.057 1 26.884 ? 201 A1IOA A H21  1 c 2 
HETATM 3860 H H23  . A1IOA D 2 .   ? -7.844  -14.452 -22.715 1 19.164 ? 201 A1IOA A H23  1 c 2 
HETATM 3861 H H25  . A1IOA D 2 .   ? -10.079 -14.661 -23.563 1 19.107 ? 201 A1IOA A H25  1 c 2 
HETATM 3862 H H24  . A1IOA D 2 .   ? -9.11   -15.778 -24.16  1 19.656 ? 201 A1IOA A H24  1 c 2 
HETATM 3863 H H26  . A1IOA D 2 .   ? -11.152 -16.766 -23.541 1 20.619 ? 201 A1IOA A H26  1 c 2 
HETATM 3864 H H27  . A1IOA D 2 .   ? -10.979 -16.236 -22.044 1 20.529 ? 201 A1IOA A H27  1 c 2 
HETATM 3865 H H28  . A1IOA D 2 .   ? -9.278  -18.094 -23.33  1 21.79  ? 201 A1IOA A H28  1 c 2 
HETATM 3866 H H29  . A1IOA D 2 .   ? -10.282 -18.44  -22.152 1 22.638 ? 201 A1IOA A H29  1 c 2 
HETATM 3867 H H30  . A1IOA D 2 .   ? -8.036  -18.225 -21.377 1 22.985 ? 201 A1IOA A H30  1 c 2 
HETATM 3868 H H31  . A1IOA D 2 .   ? -9.022  -17.24  -20.621 1 22.441 ? 201 A1IOA A H31  1 c 2 
HETATM 3869 H H32  . A1IOA D 2 .   ? -5.929  -18.206 -21.51  1 24.53  ? 201 A1IOA A H32  1 c 2 
HETATM 3870 H H33  . A1IOA D 2 .   ? -3.851  -16.234 -21.134 1 23.7   ? 201 A1IOA A H33  1 c 2 
HETATM 3871 H H35  . A1IOA D 2 .   ? -4.399  -17.946 -23.338 1 24.249 ? 201 A1IOA A H35  1 c 2 
HETATM 3872 H H34  . A1IOA D 2 .   ? -4.235  -16.38  -23.376 1 22.908 ? 201 A1IOA A H34  1 c 2 
HETATM 3873 H H36  . A1IOA D 2 .   ? -1.982  -16.472 -23.364 1 23.642 ? 201 A1IOA A H36  1 c 2 
HETATM 3874 H H37  . A1IOA D 2 .   ? -2.395  -17.642 -24.346 1 24.365 ? 201 A1IOA A H37  1 c 2 
HETATM 3875 H H38  . A1IOA D 2 .   ? -0.656  -18.226 -22.838 1 25.978 ? 201 A1IOA A H38  1 c 2 
HETATM 3876 H H39  . A1IOA D 2 .   ? -1.888  -19.234 -22.803 1 26.288 ? 201 A1IOA A H39  1 c 2 
HETATM 3877 H H40  . A1IOA D 2 .   ? -1.472  -17.134 -20.919 1 25.193 ? 201 A1IOA A H40  1 c 2 
HETATM 3878 H H41  . A1IOA D 2 .   ? -1.254  -18.678 -20.602 1 26.902 ? 201 A1IOA A H41  1 c 2 
HETATM 3879 H H43  . A1IOA D 2 .   ? -3.571  -19.069 -20.965 1 26.226 ? 201 A1IOA A H43  1 c 2 
HETATM 3880 H H42  . A1IOA D 2 .   ? -3.341  -18.055 -19.77  1 25.851 ? 201 A1IOA A H42  1 c 2 
HETATM 3881 O O    . HOH   E 3 .   ? -24.766 -6.768  0.455   1 41.242 ? 301 HOH   B O    1 ? ? 
HETATM 3882 O O    . HOH   E 3 .   ? -13.67  -12.342 6.573   1 26.715 ? 302 HOH   B O    1 ? ? 
HETATM 3883 O O    . HOH   E 3 .   ? -14.43  12.674  0.588   1 38.287 ? 303 HOH   B O    1 ? ? 
HETATM 3884 O O    . HOH   E 3 .   ? -11.173 -5.79   -11.028 1 23.486 ? 304 HOH   B O    1 ? ? 
HETATM 3885 O O    . HOH   E 3 .   ? -19.247 -14.154 -1.601  1 28.687 ? 305 HOH   B O    1 ? ? 
HETATM 3886 O O    . HOH   E 3 .   ? -9.595  -5.989  -20.153 1 25.942 ? 306 HOH   B O    1 ? ? 
HETATM 3887 O O    . HOH   E 3 .   ? -22.468 -1.98   6.967   1 24.811 ? 307 HOH   B O    1 ? ? 
HETATM 3888 O O    . HOH   E 3 .   ? -10.29  -5.984  7.835   1 23.861 ? 308 HOH   B O    1 ? ? 
HETATM 3889 O O    . HOH   E 3 .   ? -25.043 4.366   8.395   1 31.679 ? 309 HOH   B O    1 ? ? 
HETATM 3890 O O    . HOH   E 3 .   ? -14.215 -18.562 2.135   1 36.907 ? 310 HOH   B O    1 ? ? 
HETATM 3891 O O    . HOH   E 3 .   ? -7.003  -7.001  -3.005  1 27.21  ? 311 HOH   B O    1 ? ? 
HETATM 3892 O O    . HOH   E 3 .   ? -9.308  -6.629  -13.079 1 24.673 ? 312 HOH   B O    1 ? ? 
HETATM 3893 O O    . HOH   E 3 .   ? -20.958 8.932   11.127  1 43.787 ? 313 HOH   B O    1 ? ? 
HETATM 3894 O O    . HOH   E 3 .   ? -23.575 -8.259  2.723   1 31.217 ? 314 HOH   B O    1 ? ? 
HETATM 3895 O O    . HOH   E 3 .   ? -18.253 -7.883  -11.011 1 25.576 ? 315 HOH   B O    1 ? ? 
HETATM 3896 O O    . HOH   E 3 .   ? -17.798 0.033   9.534   1 34.74  ? 316 HOH   B O    1 ? ? 
HETATM 3897 O O    . HOH   E 3 .   ? -21.319 -11.797 -1.007  1 35.544 ? 317 HOH   B O    1 ? ? 
HETATM 3898 O O    . HOH   E 3 .   ? -5.264  -0.874  11.5    1 33.232 ? 318 HOH   B O    1 ? ? 
HETATM 3899 O O    . HOH   E 3 .   ? -12.299 -12.041 -15.956 1 21.377 ? 319 HOH   B O    1 ? ? 
HETATM 3900 O O    . HOH   E 3 .   ? -14.362 -10.408 -15.612 1 46.294 ? 320 HOH   B O    1 ? ? 
HETATM 3901 O O    . HOH   E 3 .   ? -17.551 9.906   -14.166 1 37.603 ? 321 HOH   B O    1 ? ? 
HETATM 3902 O O    . HOH   E 3 .   ? -7.489  -10.497 2.23    1 34.496 ? 322 HOH   B O    1 ? ? 
HETATM 3903 O O    . HOH   E 3 .   ? -20.92  -9.169  7.119   1 24.545 ? 323 HOH   B O    1 ? ? 
HETATM 3904 O O    . HOH   E 3 .   ? -25.659 3.005   -14.818 1 29.072 ? 324 HOH   B O    1 ? ? 
HETATM 3905 O O    . HOH   E 3 .   ? -15.572 -0.668  10.012  1 41.86  ? 325 HOH   B O    1 ? ? 
HETATM 3906 O O    . HOH   E 3 .   ? -20.452 -3.91   -15.216 1 19.527 ? 326 HOH   B O    1 ? ? 
HETATM 3907 O O    . HOH   F 3 .   ? 1.864   -22.254 -35.986 1 41.784 ? 301 HOH   A O    1 ? ? 
HETATM 3908 O O    . HOH   F 3 .   ? -2.856  -7.973  -33.664 1 38.633 ? 302 HOH   A O    1 ? ? 
HETATM 3909 O O    . HOH   F 3 .   ? -8.388  -6.891  -23.148 1 17.33  ? 303 HOH   A O    1 ? ? 
HETATM 3910 O O    . HOH   F 3 .   ? -6.629  -20.406 -14.251 1 33.482 ? 304 HOH   A O    1 ? ? 
HETATM 3911 O O    . HOH   F 3 .   ? -4.416  -6.35   -18.035 1 25.538 ? 305 HOH   A O    1 ? ? 
HETATM 3912 O O    . HOH   F 3 .   ? 0.475   -8.177  -21.713 1 24.502 ? 306 HOH   A O    1 ? ? 
HETATM 3913 O O    . HOH   F 3 .   ? -16.746 -22.239 -19.13  1 25.639 ? 307 HOH   A O    1 ? ? 
HETATM 3914 O O    . HOH   F 3 .   ? -17.291 -10.656 -22.085 1 18.4   ? 308 HOH   A O    1 ? ? 
HETATM 3915 O O    . HOH   F 3 .   ? -6.467  -7.227  -19.51  1 38.695 ? 309 HOH   A O    1 ? ? 
HETATM 3916 O O    . HOH   F 3 .   ? -1.363  -8.736  -23.158 1 17.795 ? 310 HOH   A O    1 ? ? 
HETATM 3917 O O    . HOH   F 3 .   ? -1.624  -13.349 -10.343 1 17.775 ? 311 HOH   A O    1 ? ? 
HETATM 3918 O O    . HOH   F 3 .   ? -10.909 -0.73   -32.189 1 30.483 ? 312 HOH   A O    1 ? ? 
HETATM 3919 O O    . HOH   F 3 .   ? 4.198   -12.342 -26.331 1 37.489 ? 313 HOH   A O    1 ? ? 
HETATM 3920 O O    . HOH   F 3 .   ? -8.834  -23.842 -19.534 1 42.956 ? 314 HOH   A O    1 ? ? 
HETATM 3921 O O    . HOH   F 3 .   ? -9.496  5.074   -37.386 1 38.227 ? 315 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    . GLY   A 1   ? 0.461689 0.643509 0.781583 -0.132871   -0.0382586  -0.221428   13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.439702 0.576907 0.748263 -0.135872   -0.0204485  -0.202904   13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.450619 0.565653 0.705179 -0.117453   -0.0207438  -0.19415    13  GLY   B C    
4    O O    . GLY   A 1   ? 0.479397 0.608018 0.699071 -0.101651   -0.0308942  -0.19628    13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.458111 0.654274 0.815231 -0.145475   -0.0370081  -0.227329   13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.444306 0.637868 0.746945 -0.12175    -0.039373   -0.210551   13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.467985 0.651806 0.775098 -0.12885    -0.0497062  -0.23837    13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.4619   0.585229 0.790562 -0.147352   -0.0187305  -0.214395   13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.437511 0.572288 0.756438 -0.138991   -0.00899766 -0.184653   13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.457129 0.536557 0.706902 -0.119526   -0.00801987 -0.182704   14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.461629 0.520625 0.67097  -0.105202   -0.00471227 -0.172917   14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.458396 0.528276 0.636767 -0.0912432  -0.00508686 -0.153887   14  ALA   B C    
13   O O    . ALA   A 2   ? 0.486812 0.552092 0.628888 -0.0786035  -0.00753458 -0.153178   14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.467152 0.492866 0.688223 -0.110137   0.00887702  -0.159976   14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.46304  0.530795 0.737554 -0.1303     -0.00085619 -0.180939   14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.475462 0.53422  0.670728 -0.101127   -0.0110789  -0.18851    14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.480557 0.496262 0.718706 -0.117637   0.00912356  -0.172987   14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.458666 0.48327  0.691743 -0.113986   0.015034    -0.14533    14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.461429 0.476183 0.660798 -0.101241   0.0113244   -0.153439   14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.425371 0.505317 0.614611 -0.092555   -0.00015427 -0.136502   15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.415355 0.500365 0.573228 -0.0784243  -0.00039751 -0.120096   15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.407453 0.514723 0.541217 -0.0659935  -0.013566   -0.130742   15  PRO   B C    
23   O O    . PRO   A 3   ? 0.39526  0.492868 0.491039 -0.0529504  -0.0143878  -0.123651   15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.385353 0.478095 0.562558 -0.0826384  0.00794274  -0.103791   15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.408969 0.491003 0.624435 -0.0996685  0.0166168   -0.1059     15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.424175 0.507521 0.653707 -0.107122   0.00818562  -0.131198   15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.406311 0.472661 0.546464 -0.0740111  0.00382278  -0.111898   15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.391634 0.507337 0.574236 -0.0801918  0.00342592  -0.107239   15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.387607 0.467891 0.547315 -0.0766176  0.0127491   -0.0891502  15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.405648 0.501541 0.641873 -0.10541    0.0207772   -0.102736   15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.406496 0.465961 0.616106 -0.0994649  0.0237153   -0.0944266  15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.427638 0.532968 0.677052 -0.112578   0.00266542  -0.142991   15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.432288 0.495945 0.674574 -0.114521   0.014012    -0.131659   15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.404605 0.541002 0.561422 -0.0699284  -0.0241967  -0.148205   16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.387811 0.54636  0.52222  -0.0563414  -0.0404175  -0.161841   16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.377237 0.516662 0.474288 -0.0488243  -0.0444944  -0.172676   16  ALA   B C    
37   O O    . ALA   A 4   ? 0.391155 0.526241 0.445404 -0.0323665  -0.0479516  -0.167485   16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.363975 0.560274 0.53912  -0.0640754  -0.0528895  -0.181998   16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.399053 0.541947 0.58718  -0.0812025  -0.0216118  -0.151841   16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.376483 0.537857 0.492036 -0.0455221  -0.0400285  -0.149824   16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.361014 0.570145 0.559072 -0.0681004  -0.0477104  -0.173662   16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.379434 0.571257 0.574617 -0.0758256  -0.0532115  -0.194604   16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.383021 0.59526  0.541965 -0.0529634  -0.0656724  -0.19116    16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.35136  0.476033 0.46207  -0.0598749  -0.0417526  -0.186438   17  THR   B N    
45   C CA   . THR   A 5   ? 0.370935 0.477468 0.44611  -0.0520197  -0.0421632  -0.196721   17  THR   B CA   
46   C C    . THR   A 5   ? 0.365987 0.450233 0.40282  -0.0409095  -0.0301076  -0.175172   17  THR   B C    
47   O O    . THR   A 5   ? 0.381138 0.460426 0.375627 -0.0272994  -0.0321178  -0.177062   17  THR   B O    
48   C CB   . THR   A 5   ? 0.379495 0.469779 0.479035 -0.0653029  -0.0378189  -0.212914   17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.381032 0.49382  0.51399  -0.0755836  -0.0514297  -0.235857   17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.397807 0.47013  0.462252 -0.0566551  -0.0358737  -0.225873   17  THR   B CG2  
51   H H    . THR   A 5   ? 0.354719 0.479492 0.496789 -0.0720343  -0.0384678  -0.18928    17  THR   B H    
52   H HA   . THR   A 5   ? 0.387324 0.508121 0.447001 -0.0442553  -0.0539977  -0.20888    17  THR   B HA   
53   H HB   . THR   A 5   ? 0.362706 0.439556 0.480471 -0.07265    -0.0273536  -0.201217   17  THR   B HB   
55   H HG21 . THR   A 5   ? 0.409132 0.472988 0.491428 -0.0645351  -0.0347597  -0.238851   17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.417071 0.500729 0.457867 -0.0476255  -0.0459367  -0.235652   17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.393533 0.451166 0.441108 -0.0517329  -0.025235   -0.211684   17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.346105 0.417298 0.396371 -0.046181   -0.0180609  -0.154586   18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.354288 0.405432 0.376424 -0.0387264  -0.0074852  -0.136434   18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.330625 0.387212 0.319817 -0.0250582  -0.011543   -0.125382   18  VAL   B C    
61   O O    . VAL   A 6   ? 0.338447 0.378213 0.294836 -0.0172146  -0.00481347 -0.1177     18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.368017 0.404952 0.411501 -0.0462476  0.00280068  -0.119377   18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.353615 0.374604 0.37232  -0.0395238  0.0105374   -0.103077   18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.394595 0.419434 0.465905 -0.0562781  0.0081999   -0.12729    18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.337905 0.412529 0.41569  -0.0548123  -0.0164858  -0.152231   18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.364569 0.405566 0.372544 -0.0364564  -0.00380679 -0.142486   18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.35408  0.400493 0.411027 -0.0486504  0.00042685  -0.113947   18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.368227 0.383188 0.368928 -0.035553   0.0134324   -0.107573   18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.352962 0.378403 0.36014  -0.03456    0.00780396  -0.0953817  18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.347079 0.359109 0.380012 -0.0439765  0.0154833   -0.0963356  18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.37594  0.3921   0.458776 -0.0591127  0.0131966   -0.11587    18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.390743 0.423775 0.479785 -0.062107   0.00366468  -0.13762    18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.396832 0.413686 0.456545 -0.0533947  0.0114092   -0.133682   18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.31137  0.388793 0.312049 -0.022696   -0.0198075  -0.122888   19  THR   B N    
75   C CA   . THR   A 7   ? 0.349606 0.435674 0.321037 -0.00670394 -0.0269866  -0.116907   19  THR   B CA   
76   C C    . THR   A 7   ? 0.379042 0.467309 0.314407 0.00626552  -0.0362004  -0.129515   19  THR   B C    
77   O O    . THR   A 7   ? 0.403404 0.474321 0.297076 0.0190128   -0.0325872  -0.119793   19  THR   B O    
78   C CB   . THR   A 7   ? 0.339712 0.455073 0.341155 -0.00737164 -0.0343672  -0.117296   19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.337473 0.442196 0.360501 -0.0176536  -0.0223924  -0.103073   19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.327746 0.455046 0.304063 0.0116578   -0.0428477  -0.111952   19  THR   B CG2  
81   H H    . THR   A 7   ? 0.309837 0.396264 0.339032 -0.0310308  -0.0201839  -0.124708   19  THR   B H    
82   H HA   . THR   A 7   ? 0.341354 0.411194 0.296501 -0.00321168 -0.0199033  -0.103507   19  THR   B HA   
83   H HB   . THR   A 7   ? 0.340129 0.472597 0.364102 -0.0134896  -0.0408843  -0.131225   19  THR   B HB   
85   H HG21 . THR   A 7   ? 0.323658 0.46883  0.322172 0.0107515   -0.0442764  -0.110295   19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.337987 0.44482  0.288689 0.0178483   -0.0367243  -0.0998319  19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.351602 0.488616 0.315101 0.0192824   -0.0528279  -0.122521   19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.426038 0.532077 0.374783 0.00297406  -0.0473295  -0.151334   20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.493459 0.602738 0.40397  0.0172418   -0.0585803  -0.165478   20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.49066  0.567099 0.358978 0.0220256   -0.0441092  -0.159865   20  GLU   B C    
91   O O    . GLU   A 8   ? 0.519733 0.584154 0.338583 0.038905    -0.0437631  -0.153068   20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.576022 0.708747 0.516469 0.00852352  -0.0729998  -0.193485   20  GLU   B CB   
93   C CG   . GLU   A 8   ? 0.700673 0.871553 0.649631 0.017859    -0.0967368  -0.209024   20  GLU   B CG   
94   C CD   . GLU   A 8   ? 0.761182 0.964415 0.762953 0.00945335  -0.101905   -0.20746    20  GLU   B CD   
95   O OE1  . GLU   A 8   ? 0.83124  1.06768  0.86767  0.00359112  -0.118656   -0.230655   20  GLU   B OE1  
96   O OE2  . GLU   A 8   ? 0.735779 0.932327 0.743808 0.00913491  -0.0895554  -0.185014   20  GLU   B OE2  
97   H H    . GLU   A 8   ? 0.412112 0.527564 0.394002 -0.00839953 -0.0481553  -0.15808    20  GLU   B H    
98   H HA   . GLU   A 8   ? 0.505165 0.62339  0.398389 0.0300391   -0.0663995  -0.161106   20  GLU   B HA   
99   H HB2  . GLU   A 8   ? 0.556218 0.690056 0.533368 -0.00628816 -0.0676876  -0.194393   20  GLU   B HB2  
100  H HB3  . GLU   A 8   ? 0.595746 0.717061 0.51505  0.0109678   -0.0721636  -0.202853   20  GLU   B HB3  
101  H HG2  . GLU   A 8   ? 0.707089 0.885842 0.659917 0.0153236   -0.106211   -0.228853   20  GLU   B HG2  
102  H HG3  . GLU   A 8   ? 0.706864 0.875312 0.618817 0.0347225   -0.101324   -0.202972   20  GLU   B HG3  
103  N N    . GLN   A 9   ? 0.455114 0.516767 0.343764 0.00785979  -0.0309282  -0.162445   21  GLN   B N    
104  C CA   . GLN   A 9   ? 0.475984 0.516762 0.334867 0.0111558   -0.0194576  -0.167802   21  GLN   B CA   
105  C C    . GLN   A 9   ? 0.460255 0.478229 0.327584 0.00312359  0.00191106  -0.151652   21  GLN   B C    
106  O O    . GLN   A 9   ? 0.500398 0.50282  0.350622 0.00450077  0.0154338   -0.154686   21  GLN   B O    
107  C CB   . GLN   A 9   ? 0.486238 0.533775 0.366792 0.00289283  -0.0251759  -0.193562   21  GLN   B CB   
108  C CG   . GLN   A 9   ? 0.487342 0.564202 0.387121 0.00213507  -0.0484077  -0.213357   21  GLN   B CG   
109  C CD   . GLN   A 9   ? 0.512297 0.592512 0.43109  -0.00642721 -0.0554293  -0.242158   21  GLN   B CD   
110  O OE1  . GLN   A 9   ? 0.506256 0.56663  0.434811 -0.0141487  -0.0419837  -0.246563   21  GLN   B OE1  
111  N NE2  . GLN   A 9   ? 0.532981 0.639478 0.459322 -0.00445306 -0.0778355  -0.263614   21  GLN   B NE2  
112  H H    . GLN   A 9   ? 0.437128 0.502255 0.359101 -0.00322263 -0.0287471  -0.161072   21  GLN   B H    
113  H HA   . GLN   A 9   ? 0.5043   0.540918 0.324485 0.0241474   -0.0213687  -0.166468   21  GLN   B HA   
114  H HB2  . GLN   A 9   ? 0.464905 0.506914 0.376118 -0.00856326 -0.0176666  -0.191524   21  GLN   B HB2  
115  H HB3  . GLN   A 9   ? 0.511023 0.548248 0.363507 0.00937821  -0.0204962  -0.200309   21  GLN   B HB3  
116  H HG2  . GLN   A 9   ? 0.51102  0.595292 0.380946 0.0153081   -0.0577179  -0.214543   21  GLN   B HG2  
117  H HG3  . GLN   A 9   ? 0.466267 0.553731 0.39717  -0.00546245 -0.0504177  -0.20672    21  GLN   B HG3  
118  H HE21 . GLN   A 9   ? 0.549354 0.657193 0.478781 -0.00703479 -0.0842124  -0.283144   21  GLN   B HE21 
119  H HE22 . GLN   A 9   ? 0.525228 0.648768 0.454799 -0.00035563 -0.086931   -0.259411   21  GLN   B HE22 
120  N N    . GLY   A 10  ? 0.4374   0.455535 0.3316   -0.00435052 0.00451112  -0.135649   22  GLY   B N    
121  C CA   . GLY   A 10  ? 0.430134 0.430901 0.336647 -0.0115771  0.0204215   -0.121165   22  GLY   B CA   
122  C C    . GLY   A 10  ? 0.43938  0.421288 0.309378 -0.00407549 0.0328125   -0.106078   22  GLY   B C    
123  O O    . GLY   A 10  ? 0.459053 0.438152 0.297459 0.00673512  0.0282464   -0.0981885  22  GLY   B O    
124  H H    . GLY   A 10  ? 0.426517 0.457075 0.331764 -0.00436689 -0.00433799 -0.134301   22  GLY   B H    
125  H HA2  . GLY   A 10  ? 0.426064 0.423153 0.345633 -0.0165502  0.0260293   -0.128767   22  GLY   B HA2  
126  H HA3  . GLY   A 10  ? 0.40365  0.408271 0.332457 -0.0169665  0.0179525   -0.114004   22  GLY   B HA3  
127  N N    . GLU   A 11  ? 0.41567  0.384478 0.294502 -0.0102759  0.0491391   -0.101915   23  GLU   B N    
128  C CA   . GLU   A 11  ? 0.443056 0.393327 0.299338 -0.00839011 0.0645282   -0.0875456  23  GLU   B CA   
129  C C    . GLU   A 11  ? 0.4123   0.357943 0.286588 -0.0142961  0.0627774   -0.072509   23  GLU   B C    
130  O O    . GLU   A 11  ? 0.371447 0.325383 0.282285 -0.022355   0.057238    -0.0726279  23  GLU   B O    
131  C CB   . GLU   A 11  ? 0.481951 0.426925 0.349719 -0.0135932  0.0825415   -0.0928005  23  GLU   B CB   
132  C CG   . GLU   A 11  ? 0.537408 0.466067 0.396003 -0.0164898  0.102204    -0.0790467  23  GLU   B CG   
133  C CD   . GLU   A 11  ? 0.583125 0.51201  0.46068  -0.0217915  0.122149    -0.0843258  23  GLU   B CD   
134  O OE1  . GLU   A 11  ? 0.652283 0.589118 0.537127 -0.0194928  0.123366    -0.0994112  23  GLU   B OE1  
135  O OE2  . GLU   A 11  ? 0.606581 0.527741 0.494155 -0.028546   0.137155    -0.0738188  23  GLU   B OE2  
136  H H    . GLU   A 11  ? 0.414772 0.386627 0.316991 -0.0161825  0.0510562   -0.108611   23  GLU   B H    
137  H HA   . GLU   A 11  ? 0.469226 0.413448 0.291054 0.00079415  0.0644332   -0.0854349  23  GLU   B HA   
138  H HB2  . GLU   A 11  ? 0.5044   0.450206 0.354637 -0.00818707 0.0840447   -0.102764   23  GLU   B HB2  
139  H HB3  . GLU   A 11  ? 0.461335 0.413321 0.362461 -0.0204041  0.0803101   -0.096502   23  GLU   B HB3  
140  H HG2  . GLU   A 11  ? 0.516951 0.444497 0.392216 -0.021782   0.0989253   -0.0708705  23  GLU   B HG2  
141  H HG3  . GLU   A 11  ? 0.561455 0.479396 0.38433  -0.00925102 0.105978    -0.0739519  23  GLU   B HG3  
142  N N    . ASP   A 12  ? 0.422658 0.352307 0.266822 -0.00863778 0.0667921   -0.0597208  24  ASP   B N    
143  C CA   . ASP   A 12  ? 0.406128 0.326391 0.259755 -0.0129022  0.0657445   -0.0473067  24  ASP   B CA   
144  C C    . ASP   A 12  ? 0.413354 0.323252 0.286098 -0.0241997  0.0815473   -0.0434441  24  ASP   B C    
145  O O    . ASP   A 12  ? 0.44436  0.337634 0.295364 -0.0239261  0.0979462   -0.0383061  24  ASP   B O    
146  C CB   . ASP   A 12  ? 0.428202 0.332103 0.241911 -0.00133295 0.0637738   -0.0368013  24  ASP   B CB   
147  C CG   . ASP   A 12  ? 0.451203 0.342514 0.270483 -0.00389464 0.0610968   -0.026294   24  ASP   B CG   
148  O OD1  . ASP   A 12  ? 0.437235 0.332764 0.290739 -0.015447   0.0603659   -0.0268356  24  ASP   B OD1  
149  O OD2  . ASP   A 12  ? 0.46048  0.338186 0.248752 0.0077425   0.0575772   -0.0186497  24  ASP   B OD2  
150  H H    . ASP   A 12  ? 0.449328 0.371663 0.263469 -0.00102853 0.070295    -0.0590686  24  ASP   B H    
151  H HA   . ASP   A 12  ? 0.385075 0.316549 0.260359 -0.0156737  0.0561831   -0.0491205  24  ASP   B HA   
152  H HB2  . ASP   A 12  ? 0.437279 0.351873 0.241268 0.00693588  0.0533474   -0.0408395  24  ASP   B HB2  
153  H HB3  . ASP   A 12  ? 0.462134 0.35153  0.252256 0.00146418  0.0746761   -0.0331646  24  ASP   B HB3  
154  N N    . ILE   A 13  ? 0.398774 0.319075 0.312663 -0.0335113  0.076718    -0.0455293  25  ILE   B N    
155  C CA   . ILE   A 13  ? 0.39536  0.314393 0.338236 -0.0439329  0.0881522   -0.0452419  25  ILE   B CA   
156  C C    . ILE   A 13  ? 0.386446 0.295565 0.339241 -0.0500844  0.0845759   -0.0372245  25  ILE   B C    
157  O O    . ILE   A 13  ? 0.378439 0.292532 0.364275 -0.0593417  0.0890418   -0.0392052  25  ILE   B O    
158  C CB   . ILE   A 13  ? 0.365533 0.302784 0.347307 -0.0475411  0.0853345   -0.0550926  25  ILE   B CB   
159  C CG1  . ILE   A 13  ? 0.350841 0.297071 0.349139 -0.0464486  0.0669906   -0.0550186  25  ILE   B CG1  
160  C CG2  . ILE   A 13  ? 0.364734 0.306551 0.335454 -0.042773   0.0935031   -0.0656388  25  ILE   B CG2  
161  C CD1  . ILE   A 13  ? 0.324538 0.28174  0.362579 -0.0495969  0.0637881   -0.0603758  25  ILE   B CD1  
162  H H    . ILE   A 13  ? 0.378558 0.30758  0.302972 -0.0327516  0.0659361   -0.0470098  25  ILE   B H    
163  H HA   . ILE   A 13  ? 0.412731 0.324448 0.342547 -0.0440096  0.101472    -0.044583   25  ILE   B HA   
164  H HB   . ILE   A 13  ? 0.362911 0.301888 0.366457 -0.0532704  0.091212    -0.05484    25  ILE   B HB   
165  H HG12 . ILE   A 13  ? 0.34801  0.296845 0.332636 -0.0420266  0.0622311   -0.0575436  25  ILE   B HG12 
166  H HG13 . ILE   A 13  ? 0.343089 0.284246 0.337998 -0.0470995  0.0617788   -0.0485666  25  ILE   B HG13 
167  H HG21 . ILE   A 13  ? 0.358283 0.308844 0.353838 -0.044564   0.0925159   -0.0721242  25  ILE   B HG21 
168  H HG22 . ILE   A 13  ? 0.37362  0.315713 0.324566 -0.0372915  0.0862432   -0.0675092  25  ILE   B HG22 
169  H HG23 . ILE   A 13  ? 0.388335 0.323546 0.346572 -0.0428789  0.107027    -0.0644968  25  ILE   B HG23 
170  H HD11 . ILE   A 13  ? 0.325649 0.283633 0.380038 -0.0532191  0.0672043   -0.0590513  25  ILE   B HD11 
171  H HD12 . ILE   A 13  ? 0.316334 0.275604 0.360018 -0.0485238  0.0537151   -0.0579687  25  ILE   B HD12 
172  H HD13 . ILE   A 13  ? 0.33147  0.29225  0.372827 -0.0483651  0.0685707   -0.067729   25  ILE   B HD13 
173  N N    . THR   A 14  ? 0.371107 0.266831 0.29586  -0.0440769  0.0769003   -0.0299668  26  THR   B N    
174  C CA   . THR   A 14  ? 0.380292 0.26108  0.306425 -0.0483797  0.0733766   -0.0241668  26  THR   B CA   
175  C C    . THR   A 14  ? 0.428159 0.284627 0.338165 -0.0535442  0.0911604   -0.0180881  26  THR   B C    
176  O O    . THR   A 14  ? 0.496828 0.34299  0.376778 -0.0477302  0.103551    -0.0142811  26  THR   B O    
177  C CB   . THR   A 14  ? 0.375321 0.250066 0.277878 -0.0381362  0.0597064   -0.019759   26  THR   B CB   
178  O OG1  . THR   A 14  ? 0.394853 0.259836 0.259232 -0.0267463  0.0635333   -0.0155572  26  THR   B OG1  
179  C CG2  . THR   A 14  ? 0.351614 0.248046 0.269367 -0.034162   0.0456481   -0.0235009  26  THR   B CG2  
180  H H    . THR   A 14  ? 0.383096 0.27938  0.287477 -0.0363475  0.0732528   -0.029735   26  THR   B H    
181  H HA   . THR   A 14  ? 0.367331 0.256796 0.321247 -0.0546125  0.0691391   -0.0274415  26  THR   B HA   
182  H HB   . THR   A 14  ? 0.383356 0.245582 0.285177 -0.040812   0.0579548   -0.0172284  26  THR   B HB   
184  H HG21 . THR   A 14  ? 0.351972 0.245073 0.256234 -0.0279475  0.0392469   -0.0204625  26  THR   B HG21 
185  H HG22 . THR   A 14  ? 0.34655  0.253602 0.264372 -0.0317693  0.0466458   -0.0268864  26  THR   B HG22 
186  H HG23 . THR   A 14  ? 0.337843 0.240369 0.278807 -0.0398714  0.0424553   -0.0256884  26  THR   B HG23 
187  N N    . SER   A 15  ? 0.415151 0.260819 0.343391 -0.064079   0.0916322   -0.0172834  27  SER   B N    
188  C CA   . SER   A 15  ? 0.438582 0.258231 0.359719 -0.0730616  0.109014    -0.0115802  27  SER   B CA   
189  C C    . SER   A 15  ? 0.476034 0.264049 0.347729 -0.0619378  0.110081    -0.00147889 27  SER   B C    
190  O O    . SER   A 15  ? 0.512967 0.274491 0.358597 -0.062288   0.128706    0.00740014  27  SER   B O    
191  C CB   . SER   A 15  ? 0.432579 0.251078 0.38977  -0.0873264  0.103778    -0.0167695  27  SER   B CB   
192  O OG   . SER   A 15  ? 0.416554 0.266407 0.421409 -0.0946761  0.0992045   -0.0263295  27  SER   B OG   
193  H H    . SER   A 15  ? 0.399795 0.254357 0.346332 -0.0660267  0.0801929   -0.0208877  27  SER   B H    
194  H HA   . SER   A 15  ? 0.450463 0.272558 0.374621 -0.0763881  0.123837    -0.0110946  27  SER   B HA   
195  H HB2  . SER   A 15  ? 0.432252 0.245073 0.380838 -0.0829536  0.090137    -0.0172488  27  SER   B HB2  
196  H HB3  . SER   A 15  ? 0.459943 0.260639 0.415886 -0.0953165  0.116913    -0.0134494  27  SER   B HB3  
198  N N    . LYS   A 16  ? 0.483416 0.273101 0.344612 -0.0520672  0.0909005   -0.00247732 28  LYS   B N    
199  C CA   . LYS   A 16  ? 0.545406 0.307037 0.365537 -0.0393684  0.0880051   0.00533184  28  LYS   B CA   
200  C C    . LYS   A 16  ? 0.531292 0.296612 0.315168 -0.0215756  0.0883265   0.0103261   28  LYS   B C    
201  O O    . LYS   A 16  ? 0.555157 0.297745 0.301367 -0.00741214 0.0874904   0.018038    28  LYS   B O    
202  C CB   . LYS   A 16  ? 0.580152 0.346322 0.402444 -0.0328836  0.0684898   0.00130743  28  LYS   B CB   
203  C CG   . LYS   A 16  ? 0.650179 0.39405  0.482531 -0.0427837  0.0657323   -0.00185346 28  LYS   B CG   
204  C CD   . LYS   A 16  ? 0.733059 0.492057 0.57692  -0.0389958  0.046134    -0.00931941 28  LYS   B CD   
205  C CE   . LYS   A 16  ? 0.877232 0.604314 0.703061 -0.0365997  0.0410897   -0.0109671  28  LYS   B CE   
206  N NZ   . LYS   A 16  ? 0.939379 0.677152 0.787317 -0.0423585  0.0255183   -0.0216321  28  LYS   B NZ   
207  H H    . LYS   A 16  ? 0.460705 0.269434 0.341008 -0.0524538  0.0798687   -0.00799058 28  LYS   B H    
208  H HA   . LYS   A 16  ? 0.569221 0.305516 0.381496 -0.0449249  0.0986818   0.00988721  28  LYS   B HA   
209  H HB2  . LYS   A 16  ? 0.552315 0.343302 0.394538 -0.0338489  0.0603054   -0.00391626 28  LYS   B HB2  
210  H HB3  . LYS   A 16  ? 0.588531 0.348417 0.384643 -0.0197006  0.0651117   0.005358    28  LYS   B HB3  
211  H HG2  . LYS   A 16  ? 0.688141 0.40478  0.495506 -0.0379839  0.0705239   0.00344245  28  LYS   B HG2  
212  H HG3  . LYS   A 16  ? 0.656935 0.402011 0.512623 -0.0562937  0.0725541   -0.00465687 28  LYS   B HG3  
213  H HD2  . LYS   A 16  ? 0.713762 0.488759 0.585907 -0.0482369  0.0422965   -0.0150399  28  LYS   B HD2  
214  H HD3  . LYS   A 16  ? 0.714212 0.48766  0.548663 -0.0281882  0.0407817   -0.0077416  28  LYS   B HD3  
215  H HE2  . LYS   A 16  ? 0.871525 0.592328 0.672325 -0.022841   0.0385415   -0.00719334 28  LYS   B HE2  
216  H HE3  . LYS   A 16  ? 0.885565 0.589676 0.708894 -0.0441447  0.0506147   -0.0092054  28  LYS   B HE3  
217  H HZ1  . LYS   A 16  ? 0.89376  0.651168 0.743317 -0.0356883  0.0183966   -0.0219169  28  LYS   B HZ1  
218  H HZ2  . LYS   A 16  ? 0.908465 0.6525   0.781286 -0.0544965  0.0266879   -0.025861   28  LYS   B HZ2  
219  H HZ3  . LYS   A 16  ? 0.934055 0.652102 0.768689 -0.039846   0.0216527   -0.0240667  28  LYS   B HZ3  
220  N N    . LYS   A 17  ? 0.503528 0.298132 0.300569 -0.0213777  0.0873761   0.0042775   29  LYS   B N    
221  C CA   . LYS   A 17  ? 0.521068 0.324972 0.288998 -0.00595533 0.0848194   0.00457964  29  LYS   B CA   
222  C C    . LYS   A 17  ? 0.47672  0.290431 0.232407 0.00939641  0.0666143   0.00413966  29  LYS   B C    
223  O O    . LYS   A 17  ? 0.461199 0.267094 0.181104 0.0261458   0.0640813   0.00877428  29  LYS   B O    
224  C CB   . LYS   A 17  ? 0.584148 0.359795 0.312119 -0.00062263 0.103082    0.0141284   29  LYS   B CB   
225  C CG   . LYS   A 17  ? 0.645343 0.424192 0.387627 -0.0132173  0.12244     0.0117979   29  LYS   B CG   
226  C CD   . LYS   A 17  ? 0.68453  0.494431 0.434776 -0.00956002 0.117891    0.00014192  29  LYS   B CD   
227  C CE   . LYS   A 17  ? 0.737766 0.551648 0.500843 -0.0191457  0.138137    -0.00356157 29  LYS   B CE   
228  N NZ   . LYS   A 17  ? 0.728434 0.564573 0.549272 -0.0349647  0.136069    -0.0125013  29  LYS   B NZ   
229  H H    . LYS   A 17  ? 0.486015 0.295597 0.311921 -0.030731   0.087149    -0.00132073 29  LYS   B H    
230  H HA   . LYS   A 17  ? 0.497316 0.322457 0.28354  -0.00965463 0.0834767   -0.00251216 29  LYS   B HA   
231  H HB2  . LYS   A 17  ? 0.613785 0.363683 0.329026 -0.00107632 0.108467    0.0217346   29  LYS   B HB2  
232  H HB3  . LYS   A 17  ? 0.603455 0.382374 0.305559 0.0131429   0.097709    0.0147571   29  LYS   B HB3  
233  H HG2  . LYS   A 17  ? 0.627231 0.409148 0.401492 -0.0266629  0.125432    0.00930532  29  LYS   B HG2  
234  H HG3  . LYS   A 17  ? 0.679283 0.434845 0.394092 -0.0105901  0.136587    0.0202769   29  LYS   B HG3  
235  H HD2  . LYS   A 17  ? 0.696879 0.505433 0.416281 0.00380513  0.112846    0.00101687  29  LYS   B HD2  
236  H HD3  . LYS   A 17  ? 0.64673  0.476839 0.424006 -0.0125337  0.105049    -0.00703381 29  LYS   B HD3  
237  H HE2  . LYS   A 17  ? 0.763303 0.555624 0.51107  -0.0217782  0.154342    0.00502224  29  LYS   B HE2  
238  H HE3  . LYS   A 17  ? 0.740672 0.563611 0.488667 -0.0114076  0.13705     -0.00888473 29  LYS   B HE3  
239  H HZ1  . LYS   A 17  ? 0.711449 0.54124  0.546007 -0.0412922  0.133809    -0.00923499 29  LYS   B HZ1  
240  H HZ2  . LYS   A 17  ? 0.694924 0.548791 0.528061 -0.0324058  0.123442    -0.0196864  29  LYS   B HZ2  
241  H HZ3  . LYS   A 17  ? 0.725136 0.563459 0.555741 -0.0403873  0.149667    -0.0143502  29  LYS   B HZ3  
242  N N    . ASP   A 18  ? 0.426394 0.259186 0.212496 0.00461965  0.0546664   -0.0014529  30  ASP   B N    
243  C CA   . ASP   A 18  ? 0.432863 0.277495 0.213691 0.0173837   0.0407728   -0.00184746 30  ASP   B CA   
244  C C    . ASP   A 18  ? 0.416557 0.298527 0.219649 0.0182937   0.0314713   -0.0103345  30  ASP   B C    
245  O O    . ASP   A 18  ? 0.405034 0.304074 0.216419 0.0245614   0.0220733   -0.0118146  30  ASP   B O    
246  C CB   . ASP   A 18  ? 0.403075 0.237408 0.193499 0.0139915   0.0360952   -0.00072455 30  ASP   B CB   
247  C CG   . ASP   A 18  ? 0.379176 0.224897 0.205918 -0.00193651 0.034314    -0.00606184 30  ASP   B CG   
248  O OD1  . ASP   A 18  ? 0.341405 0.209491 0.191299 -0.00836004 0.0344148   -0.0108987  30  ASP   B OD1  
249  O OD2  . ASP   A 18  ? 0.410061 0.240785 0.241003 -0.00695661 0.0320235   -0.00620863 30  ASP   B OD2  
250  H H    . ASP   A 18  ? 0.417558 0.256701 0.228304 -0.00625388 0.0559164   -0.00486817 30  ASP   B H    
251  H HA   . ASP   A 18  ? 0.450179 0.283693 0.204038 0.0292908   0.0407901   0.00256997  30  ASP   B HA   
252  H HB2  . ASP   A 18  ? 0.40381  0.247796 0.190753 0.0231955   0.028797    -0.00099625 30  ASP   B HB2  
253  H HB3  . ASP   A 18  ? 0.432236 0.240984 0.206518 0.0145046   0.0411865   0.00365989  30  ASP   B HB3  
254  N N    . ARG   A 19  ? 0.452451 0.346421 0.266663 0.0115282   0.0355434   -0.0165814  31  ARG   B N    
255  C CA   . ARG   A 19  ? 0.443579 0.368422 0.280951 0.00998097  0.0276866   -0.0265302  31  ARG   B CA   
256  C C    . ARG   A 19  ? 0.447859 0.386716 0.318945 0.00213247  0.0221777   -0.0275196  31  ARG   B C    
257  O O    . ARG   A 19  ? 0.448412 0.410217 0.337024 0.00262114  0.0155066   -0.0328318  31  ARG   B O    
258  C CB   . ARG   A 19  ? 0.42486  0.365209 0.244149 0.0250902   0.0179846   -0.0302521  31  ARG   B CB   
259  C CG   . ARG   A 19  ? 0.4469   0.374318 0.228366 0.035109    0.0219673   -0.0299359  31  ARG   B CG   
260  C CD   . ARG   A 19  ? 0.462036 0.408882 0.226196 0.0528986   0.0077105   -0.035386   31  ARG   B CD   
261  N NE   . ARG   A 19  ? 0.431176 0.415096 0.231073 0.0480754   -0.00404922 -0.0493568  31  ARG   B NE   
262  C CZ   . ARG   A 19  ? 0.440755 0.43953  0.253331 0.0413963   -0.00662556 -0.0631813  31  ARG   B CZ   
263  N NH1  . ARG   A 19  ? 0.490425 0.472427 0.281408 0.039977    0.00249447  -0.0652066  31  ARG   B NH1  
264  N NH2  . ARG   A 19  ? 0.422732 0.452566 0.268931 0.0363405   -0.0173662  -0.0763162  31  ARG   B NH2  
265  H H    . ARG   A 19  ? 0.455836 0.337349 0.263416 0.00745889  0.0443995   -0.0150699  31  ARG   B H    
266  H HA   . ARG   A 19  ? 0.440568 0.366898 0.283872 0.0042705   0.0328072   -0.0310157  31  ARG   B HA   
267  H HB2  . ARG   A 19  ? 0.430644 0.369446 0.242887 0.0325816   0.0139794   -0.0256422  31  ARG   B HB2  
268  H HB3  . ARG   A 19  ? 0.41339  0.374713 0.253014 0.0218548   0.012572    -0.0379765  31  ARG   B HB3  
269  H HG2  . ARG   A 19  ? 0.449496 0.378773 0.236723 0.0283976   0.0269389   -0.0352601  31  ARG   B HG2  
270  H HG3  . ARG   A 19  ? 0.468596 0.372434 0.229793 0.03766     0.0290911   -0.0210939  31  ARG   B HG3  
271  H HD2  . ARG   A 19  ? 0.486545 0.425166 0.224311 0.0597943   0.00956589  -0.0359282  31  ARG   B HD2  
272  H HD3  . ARG   A 19  ? 0.467812 0.409177 0.221267 0.0620474   0.00469146  -0.028899   31  ARG   B HD3  
273  H HE   . ARG   A 19  ? 0.422443 0.418749 0.237061 0.0493397   -0.00906628 -0.0489503  31  ARG   B HE   
274  H HH11 . ARG   A 19  ? 0.481113 0.445689 0.269098 0.0344269   0.0133782   -0.0584832  31  ARG   B HH11 
275  H HH12 . ARG   A 19  ? 0.495247 0.484414 0.275404 0.0447      -0.00214801 -0.0738824  31  ARG   B HH12 
276  H HH21 . ARG   A 19  ? 0.414007 0.458199 0.272422 0.0392868   -0.0233209  -0.0758541  31  ARG   B HH21 
277  H HH22 . ARG   A 19  ? 0.420808 0.4565   0.278094 0.0297356   -0.0178005  -0.0857734  31  ARG   B HH22 
278  N N    . GLY   A 20  ? 0.469001 0.393743 0.349719 -0.00562017 0.0253374   -0.0228894  32  GLY   B N    
279  C CA   . GLY   A 20  ? 0.436712 0.369187 0.339234 -0.00965346 0.0197924   -0.0215991  32  GLY   B CA   
280  C C    . GLY   A 20  ? 0.419973 0.364345 0.354345 -0.0198148  0.0204435   -0.0264618  32  GLY   B C    
281  O O    . GLY   A 20  ? 0.439041 0.389795 0.390158 -0.021867   0.0162879   -0.0243382  32  GLY   B O    
282  H H    . GLY   A 20  ? 0.468777 0.378523 0.34178  -0.00831558 0.0311163   -0.0206625  32  GLY   B H    
283  H HA2  . GLY   A 20  ? 0.436647 0.378982 0.336978 -0.00369631 0.0156767   -0.0208719  32  GLY   B HA2  
284  H HA3  . GLY   A 20  ? 0.44393  0.362886 0.341651 -0.0106691  0.0198083   -0.0181704  32  GLY   B HA3  
285  N N    . VAL   A 21  ? 0.365279 0.309852 0.304797 -0.024477   0.0268403   -0.0322556  33  VAL   B N    
286  C CA   . VAL   A 21  ? 0.328233 0.28179  0.29643  -0.0318185  0.0286258   -0.038479   33  VAL   B CA   
287  C C    . VAL   A 21  ? 0.336582 0.294299 0.296908 -0.0308749  0.0343299   -0.047438   33  VAL   B C    
288  O O    . VAL   A 21  ? 0.340263 0.28741  0.282858 -0.0298927  0.0430366   -0.0470134  33  VAL   B O    
289  C CB   . VAL   A 21  ? 0.319325 0.265777 0.306505 -0.0384511  0.0316291   -0.0371245  33  VAL   B CB   
290  C CG1  . VAL   A 21  ? 0.307929 0.263107 0.325776 -0.0426682  0.0326429   -0.0430227  33  VAL   B CG1  
291  C CG2  . VAL   A 21  ? 0.309599 0.249393 0.296961 -0.0377549  0.023836    -0.0302096  33  VAL   B CG2  
292  H H    . VAL   A 21  ? 0.386373 0.323518 0.309138 -0.0220476  0.0311089   -0.0320772  33  VAL   B H    
293  H HA   . VAL   A 21  ? 0.323028 0.28464  0.302776 -0.0320625  0.0241314   -0.038512   33  VAL   B HA   
294  H HB   . VAL   A 21  ? 0.329    0.268671 0.308201 -0.0398558  0.0384485   -0.0376898  33  VAL   B HB   
295  H HG11 . VAL   A 21  ? 0.301413 0.260336 0.326664 -0.0417448  0.0272835   -0.0413325  33  VAL   B HG11 
296  H HG12 . VAL   A 21  ? 0.312734 0.270847 0.329331 -0.0428901  0.0377623   -0.0490886  33  VAL   B HG12 
297  H HG13 . VAL   A 21  ? 0.306936 0.260374 0.338201 -0.0454401  0.0337204   -0.0426949  33  VAL   B HG13 
298  H HG21 . VAL   A 21  ? 0.309826 0.248844 0.312995 -0.0416792  0.0234688   -0.0312134  33  VAL   B HG21 
299  H HG22 . VAL   A 21  ? 0.321998 0.252874 0.290883 -0.0353827  0.0242993   -0.0274331  33  VAL   B HG22 
300  H HG23 . VAL   A 21  ? 0.306269 0.251021 0.295975 -0.0351795  0.0187908   -0.0279874  33  VAL   B HG23 
301  N N    . LEU   A 22  ? 0.340413 0.311938 0.312943 -0.0313905  0.0300746   -0.0558492  34  LEU   B N    
302  C CA   . LEU   A 22  ? 0.346747 0.323485 0.3095   -0.0291766  0.032067    -0.0678076  34  LEU   B CA   
303  C C    . LEU   A 22  ? 0.336932 0.317362 0.328228 -0.0359477  0.0345046   -0.0781924  34  LEU   B C    
304  O O    . LEU   A 22  ? 0.292259 0.275927 0.310342 -0.0410187  0.0307025   -0.0769015  34  LEU   B O    
305  C CB   . LEU   A 22  ? 0.348831 0.339937 0.300281 -0.0227722  0.0218791   -0.0726969  34  LEU   B CB   
306  C CG   . LEU   A 22  ? 0.355965 0.342583 0.275842 -0.0119068  0.0190178   -0.0635413  34  LEU   B CG   
307  C CD1  . LEU   A 22  ? 0.370506 0.378746 0.295665 -0.00629587 0.00722037  -0.0671482  34  LEU   B CD1  
308  C CD2  . LEU   A 22  ? 0.374866 0.349495 0.257227 -0.00332607 0.0241642   -0.0644689  34  LEU   B CD2  
309  H H    . LEU   A 22  ? 0.325951 0.303042 0.31297  -0.033321   0.0258358   -0.0545847  34  LEU   B H    
310  H HA   . LEU   A 22  ? 0.360294 0.328267 0.304835 -0.0266133  0.0385893   -0.0665108  34  LEU   B HA   
311  H HB2  . LEU   A 22  ? 0.335716 0.33559  0.307468 -0.0265652  0.0175137   -0.0729094  34  LEU   B HB2  
312  H HB3  . LEU   A 22  ? 0.359762 0.355179 0.305563 -0.021299   0.0211237   -0.0827494  34  LEU   B HB3  
313  H HG   . LEU   A 22  ? 0.352102 0.329108 0.272783 -0.0133488  0.0217633   -0.054465   34  LEU   B HG   
314  H HD11 . LEU   A 22  ? 0.349091 0.362847 0.295462 -0.0115011  0.00650185  -0.064312   34  LEU   B HD11 
315  H HD12 . LEU   A 22  ? 0.374833 0.38027  0.279268 0.00279579  0.00502246  -0.0619206  34  LEU   B HD12 
316  H HD13 . LEU   A 22  ? 0.370483 0.389938 0.299065 -0.00617774 0.00285471  -0.077876   34  LEU   B HD13 
317  H HD21 . LEU   A 22  ? 0.381479 0.344727 0.264133 -0.0079077  0.0336719   -0.062797   34  LEU   B HD21 
318  H HD22 . LEU   A 22  ? 0.387208 0.371625 0.264755 -8.97e-05   0.0195972   -0.0741598  34  LEU   B HD22 
319  H HD23 . LEU   A 22  ? 0.388163 0.355954 0.250166 0.00415539  0.0229242   -0.0571261  34  LEU   B HD23 
320  N N    . LYS   A 23  ? 0.354294 0.331548 0.336068 -0.0345083  0.042131    -0.088108   35  LYS   B N    
321  C CA   . LYS   A 23  ? 0.354884 0.331129 0.361885 -0.03895    0.0475213   -0.0979097  35  LYS   B CA   
322  C C    . LYS   A 23  ? 0.392798 0.371632 0.384483 -0.035294   0.0483993   -0.115607   35  LYS   B C    
323  O O    . LYS   A 23  ? 0.382159 0.358859 0.337998 -0.0279799  0.0516002   -0.117376   35  LYS   B O    
324  C CB   . LYS   A 23  ? 0.332807 0.301875 0.349995 -0.0406359  0.0596199   -0.092098   35  LYS   B CB   
325  C CG   . LYS   A 23  ? 0.344191 0.313278 0.38997  -0.0422815  0.066325    -0.101661   35  LYS   B CG   
326  C CD   . LYS   A 23  ? 0.354998 0.323747 0.416273 -0.0430571  0.0795264   -0.0987287  35  LYS   B CD   
327  C CE   . LYS   A 23  ? 0.369392 0.339989 0.45648  -0.040954   0.0877653   -0.111263   35  LYS   B CE   
328  N NZ   . LYS   A 23  ? 0.373018 0.349354 0.481008 -0.040912   0.102038    -0.110687   35  LYS   B NZ   
329  H H    . LYS   A 23  ? 0.369796 0.344343 0.327161 -0.0295311  0.0445548   -0.0885719  35  LYS   B H    
330  H HA   . LYS   A 23  ? 0.341126 0.319775 0.369574 -0.0427156  0.0423771   -0.0974862  35  LYS   B HA   
331  H HB2  . LYS   A 23  ? 0.327192 0.295219 0.353029 -0.0426263  0.0563946   -0.0826269  35  LYS   B HB2  
332  H HB3  . LYS   A 23  ? 0.353632 0.318826 0.349803 -0.038003   0.0668419   -0.091021   35  LYS   B HB3  
333  H HG2  . LYS   A 23  ? 0.357899 0.327074 0.394607 -0.0401342  0.0684089   -0.112643   35  LYS   B HG2  
334  H HG3  . LYS   A 23  ? 0.332587 0.302156 0.398332 -0.0444172  0.0597549   -0.100438   35  LYS   B HG3  
335  H HD2  . LYS   A 23  ? 0.340945 0.31068  0.416213 -0.0453609  0.0750594   -0.0902809  35  LYS   B HD2  
336  H HD3  . LYS   A 23  ? 0.366753 0.33311  0.407778 -0.0421232  0.0877093   -0.0970977  35  LYS   B HD3  
337  H HE2  . LYS   A 23  ? 0.383148 0.351644 0.454494 -0.038388   0.0910467   -0.121038   35  LYS   B HE2  
338  H HE3  . LYS   A 23  ? 0.358503 0.328331 0.464872 -0.0413822  0.0800075   -0.111401   35  LYS   B HE3  
339  H HZ1  . LYS   A 23  ? 0.384519 0.359906 0.474781 -0.0410946  0.11174     -0.110119   35  LYS   B HZ1  
340  H HZ2  . LYS   A 23  ? 0.359531 0.339099 0.483546 -0.0432351  0.0974064   -0.103192   35  LYS   B HZ2  
341  H HZ3  . LYS   A 23  ? 0.376918 0.354683 0.500242 -0.0380688  0.106115    -0.118721   35  LYS   B HZ3  
342  N N    . ILE   A 24  ? 0.360642 0.341605 0.378027 -0.0398579  0.0445909   -0.128251   36  ILE   B N    
343  C CA   . ILE   A 24  ? 0.393336 0.37258  0.404274 -0.0375197  0.047106    -0.148156   36  ILE   B CA   
344  C C    . ILE   A 24  ? 0.39618  0.366377 0.438191 -0.0404794  0.0559593   -0.152496   36  ILE   B C    
345  O O    . ILE   A 24  ? 0.374583 0.341709 0.448108 -0.0460636  0.0520768   -0.146808   36  ILE   B O    
346  C CB   . ILE   A 24  ? 0.407757 0.396494 0.422587 -0.0401949  0.0326126   -0.1642     36  ILE   B CB   
347  C CG1  . ILE   A 24  ? 0.401906 0.404757 0.397194 -0.0364607  0.0210553   -0.158506   36  ILE   B CG1  
348  C CG2  . ILE   A 24  ? 0.414324 0.399607 0.414217 -0.0359751  0.033555    -0.188306   36  ILE   B CG2  
349  C CD1  . ILE   A 24  ? 0.421758 0.440318 0.420097 -0.037567   0.00556246  -0.178116   36  ILE   B CD1  
350  H H    . ILE   A 24  ? 0.356016 0.337694 0.394486 -0.0443765  0.0405969   -0.12421    36  ILE   B H    
351  H HA   . ILE   A 24  ? 0.411907 0.38924  0.39636  -0.0316258  0.0528272   -0.149377   36  ILE   B HA   
352  H HB   . ILE   A 24  ? 0.389087 0.376642 0.432049 -0.047085   0.0302424   -0.163479   36  ILE   B HB   
353  H HG12 . ILE   A 24  ? 0.415063 0.415174 0.381356 -0.0289324  0.0247353   -0.153975   36  ILE   B HG12 
354  H HG13 . ILE   A 24  ? 0.384473 0.389272 0.393639 -0.0399512  0.0199913   -0.145993   36  ILE   B HG13 
355  H HG21 . ILE   A 24  ? 0.427987 0.419434 0.436487 -0.039455   0.0232681   -0.200453   36  ILE   B HG21 
356  H HG22 . ILE   A 24  ? 0.43955  0.425251 0.407586 -0.0281422  0.0360289   -0.188784   36  ILE   B HG22 
357  H HG23 . ILE   A 24  ? 0.424862 0.400879 0.438022 -0.0370604  0.0420768   -0.191516   36  ILE   B HG23 
358  H HD11 . ILE   A 24  ? 0.415163 0.432805 0.44205  -0.0460834  0.00428483  -0.185188   36  ILE   B HD11 
359  H HD12 . ILE   A 24  ? 0.412697 0.443062 0.408484 -0.0358539  -0.00188869 -0.172512   36  ILE   B HD12 
360  H HD13 . ILE   A 24  ? 0.442854 0.460698 0.417651 -0.0311344  0.00424034  -0.189829   36  ILE   B HD13 
361  N N    . VAL   A 25  ? 0.418265 0.383525 0.448687 -0.0349592  0.0679022   -0.163788   37  VAL   B N    
362  C CA   . VAL   A 25  ? 0.42925  0.386864 0.488538 -0.0347011  0.0761705   -0.172341   37  VAL   B CA   
363  C C    . VAL   A 25  ? 0.466145 0.418151 0.531932 -0.0369551  0.0675484   -0.193139   37  VAL   B C    
364  O O    . VAL   A 25  ? 0.529641 0.484902 0.566228 -0.0338908  0.0628754   -0.207884   37  VAL   B O    
365  C CB   . VAL   A 25  ? 0.424335 0.380482 0.472361 -0.0273486  0.0952689   -0.177375   37  VAL   B CB   
366  C CG1  . VAL   A 25  ? 0.431542 0.380852 0.511054 -0.0245175  0.102416    -0.189619   37  VAL   B CG1  
367  C CG2  . VAL   A 25  ? 0.416233 0.377924 0.46414  -0.0280834  0.105398    -0.15819    37  VAL   B CG2  
368  H H    . VAL   A 25  ? 0.435233 0.40126  0.438198 -0.0301766  0.071668    -0.165896   37  VAL   B H    
369  H HA   . VAL   A 25  ? 0.40882  0.365483 0.492142 -0.0376284  0.0747566   -0.162205   37  VAL   B HA   
370  H HB   . VAL   A 25  ? 0.451577 0.407007 0.470241 -0.0232825  0.0968207   -0.186523   37  VAL   B HB   
371  H HG11 . VAL   A 25  ? 0.415089 0.3625   0.52126  -0.0277643  0.096379    -0.182893   37  VAL   B HG11 
372  H HG12 . VAL   A 25  ? 0.451123 0.394664 0.522285 -0.0228732  0.0999907   -0.205234   37  VAL   B HG12 
373  H HG13 . VAL   A 25  ? 0.437689 0.389737 0.519075 -0.0204053  0.11569     -0.188873   37  VAL   B HG13 
374  H HG21 . VAL   A 25  ? 0.429725 0.391541 0.470971 -0.0243639  0.119447    -0.161611   37  VAL   B HG21 
375  H HG22 . VAL   A 25  ? 0.412493 0.375272 0.439327 -0.0290609  0.100747    -0.150587   37  VAL   B HG22 
376  H HG23 . VAL   A 25  ? 0.395453 0.359006 0.471286 -0.0310311  0.102612    -0.150603   37  VAL   B HG23 
377  N N    . LYS   A 26  ? 0.472073 0.414167 0.574464 -0.0417268  0.0650101   -0.194333   38  LYS   B N    
378  C CA   . LYS   A 26  ? 0.487253 0.419705 0.602097 -0.0468261  0.0575798   -0.214108   38  LYS   B CA   
379  C C    . LYS   A 26  ? 0.51599  0.431355 0.645207 -0.0411627  0.0675169   -0.230211   38  LYS   B C    
380  O O    . LYS   A 26  ? 0.537633 0.442731 0.666464 -0.0427875  0.0638054   -0.253719   38  LYS   B O    
381  C CB   . LYS   A 26  ? 0.477794 0.406816 0.621524 -0.0576259  0.0484853   -0.202844   38  LYS   B CB   
382  C CG   . LYS   A 26  ? 0.47951  0.426561 0.612289 -0.062764   0.0386471   -0.190865   38  LYS   B CG   
383  C CD   . LYS   A 26  ? 0.49216  0.455105 0.598849 -0.062128   0.0288091   -0.207239   38  LYS   B CD   
384  C CE   . LYS   A 26  ? 0.511123 0.478627 0.638116 -0.0728311  0.0173692   -0.223159   38  LYS   B CE   
385  N NZ   . LYS   A 26  ? 0.556447 0.543143 0.655514 -0.0684276  0.00521282  -0.239556   38  LYS   B NZ   
386  H H    . LYS   A 26  ? 0.453166 0.393288 0.572971 -0.0417982  0.06766     -0.182494   38  LYS   B H    
387  H HA   . LYS   A 26  ? 0.503801 0.442765 0.597682 -0.0465336  0.0521442   -0.225492   38  LYS   B HA   
388  H HB2  . LYS   A 26  ? 0.469988 0.392233 0.629499 -0.0561757  0.0527921   -0.190105   38  LYS   B HB2  
389  H HB3  . LYS   A 26  ? 0.495894 0.415996 0.652249 -0.0624114  0.0454341   -0.216221   38  LYS   B HB3  
390  H HG2  . LYS   A 26  ? 0.459475 0.411299 0.583026 -0.0587888  0.0417553   -0.176243   38  LYS   B HG2  
391  H HG3  . LYS   A 26  ? 0.467939 0.411576 0.621058 -0.0697827  0.0355184   -0.185274   38  LYS   B HG3  
392  H HD2  . LYS   A 26  ? 0.512116 0.472293 0.600662 -0.0557923  0.0324132   -0.218706   38  LYS   B HD2  
393  H HD3  . LYS   A 26  ? 0.482517 0.456471 0.573985 -0.0594916  0.0265148   -0.195936   38  LYS   B HD3  
394  H HE2  . LYS   A 26  ? 0.498921 0.470345 0.643222 -0.0792081  0.0155522   -0.211343   38  LYS   B HE2  
395  H HE3  . LYS   A 26  ? 0.530609 0.484446 0.672417 -0.0760178  0.0195662   -0.235257   38  LYS   B HE3  
396  H HZ1  . LYS   A 26  ? 0.534458 0.532307 0.620144 -0.0647417  0.00310903  -0.227931   38  LYS   B HZ1  
397  H HZ2  . LYS   A 26  ? 0.56439  0.546298 0.643129 -0.0615333  0.0076885   -0.24976    38  LYS   B HZ2  
398  H HZ3  . LYS   A 26  ? 0.554131 0.54631  0.669107 -0.0756228  -0.00294596 -0.251584   38  LYS   B HZ3  
399  N N    . ARG   A 27  ? 0.489413 0.402152 0.635011 -0.0343878  0.0788235   -0.218705   39  ARG   B N    
400  C CA   . ARG   A 27  ? 0.478919 0.380095 0.637109 -0.0250958  0.0908344   -0.232587   39  ARG   B CA   
401  C C    . ARG   A 27  ? 0.468722 0.383691 0.629888 -0.0168487  0.104758    -0.220386   39  ARG   B C    
402  O O    . ARG   A 27  ? 0.43187  0.355396 0.60949  -0.0186959  0.102068    -0.19939    39  ARG   B O    
403  C CB   . ARG   A 27  ? 0.485121 0.364821 0.680813 -0.0258213  0.0878962   -0.231832   39  ARG   B CB   
404  C CG   . ARG   A 27  ? 0.522654 0.387572 0.730306 -0.0141443  0.0995973   -0.250394   39  ARG   B CG   
405  C CD   . ARG   A 27  ? 0.53902  0.378729 0.782842 -0.0114014  0.0977291   -0.246356   39  ARG   B CD   
406  N NE   . ARG   A 27  ? 0.535377 0.384513 0.800128 -0.00573654 0.0972991   -0.220451   39  ARG   B NE   
407  C CZ   . ARG   A 27  ? 0.521423 0.351532 0.81268  -0.00143661 0.0930135   -0.207657   39  ARG   B CZ   
408  N NH1  . ARG   A 27  ? 0.534483 0.332438 0.83546  -0.00452374 0.0911472   -0.216664   39  ARG   B NH1  
409  N NH2  . ARG   A 27  ? 0.497162 0.338473 0.804045 0.00641221  0.0903857   -0.187035   39  ARG   B NH2  
410  H H    . ARG   A 27  ? 0.46493  0.384319 0.615634 -0.0351427  0.0784256   -0.202195   39  ARG   B H    
411  H HA   . ARG   A 27  ? 0.511284 0.409495 0.651457 -0.0229118  0.0925252   -0.250493   39  ARG   B HA   
412  H HB2  . ARG   A 27  ? 0.492002 0.363311 0.6897   -0.03385    0.0796512   -0.23668    39  ARG   B HB2  
413  H HB3  . ARG   A 27  ? 0.467164 0.349798 0.677568 -0.0252701  0.0867247   -0.214207   39  ARG   B HB3  
414  H HG2  . ARG   A 27  ? 0.51845  0.395157 0.724863 -0.00652705 0.109215    -0.247107   39  ARG   B HG2  
415  H HG3  . ARG   A 27  ? 0.545544 0.40488  0.737364 -0.0147175  0.0996336   -0.269397   39  ARG   B HG3  
416  H HD2  . ARG   A 27  ? 0.5659   0.39416  0.815684 -0.00345762 0.104699    -0.26095    39  ARG   B HD2  
417  H HD3  . ARG   A 27  ? 0.546315 0.373844 0.793409 -0.0206228  0.0897711   -0.246756   39  ARG   B HD3  
418  H HE   . ARG   A 27  ? 0.508686 0.376263 0.767026 -0.00463508 0.0995023   -0.213159   39  ARG   B HE   
419  H HH11 . ARG   A 27  ? 0.561567 0.347542 0.8664   0.00055093  0.0963164   -0.232221   39  ARG   B HH11 
420  H HH12 . ARG   A 27  ? 0.537563 0.325063 0.84143  -0.0118784  0.0855237   -0.207267   39  ARG   B HH12 
421  H HH21 . ARG   A 27  ? 0.478244 0.339045 0.778156 0.00435513  0.0891931   -0.178987   39  ARG   B HH21 
422  H HH22 . ARG   A 27  ? 0.507872 0.336541 0.831763 0.0140912   0.0891614   -0.181855   39  ARG   B HH22 
423  N N    . VAL   A 28  ? 0.498539 0.415646 0.644744 -0.00789201 0.120097    -0.23526    40  VAL   B N    
424  C CA   . VAL   A 28  ? 0.494979 0.427989 0.644026 -0.00184922 0.137371    -0.226397   40  VAL   B CA   
425  C C    . VAL   A 28  ? 0.500761 0.435566 0.697359 0.0052004   0.142866    -0.222378   40  VAL   B C    
426  O O    . VAL   A 28  ? 0.499816 0.418815 0.714868 0.0117316   0.142414    -0.235501   40  VAL   B O    
427  C CB   . VAL   A 28  ? 0.518003 0.451142 0.629644 0.00581074  0.153898    -0.2439     40  VAL   B CB   
428  C CG1  . VAL   A 28  ? 0.524681 0.473401 0.642757 0.0115581   0.177847    -0.236921   40  VAL   B CG1  
429  C CG2  . VAL   A 28  ? 0.516375 0.449347 0.579111 0.00142326  0.144624    -0.244916   40  VAL   B CG2  
430  H H    . VAL   A 28  ? 0.520919 0.42923  0.655689 -0.00571343 0.120552    -0.252104   40  VAL   B H    
431  H HA   . VAL   A 28  ? 0.477065 0.419208 0.619379 -0.00696561 0.134264    -0.211971   40  VAL   B HA   
432  H HB   . VAL   A 28  ? 0.540171 0.462274 0.655333 0.010754    0.154955    -0.26045    40  VAL   B HB   
433  H HG11 . VAL   A 28  ? 0.501089 0.459452 0.628217 0.00588431  0.175887    -0.220557   40  VAL   B HG11 
434  H HG12 . VAL   A 28  ? 0.5273   0.476813 0.673177 0.0175491   0.184848    -0.242577   40  VAL   B HG12 
435  H HG13 . VAL   A 28  ? 0.547793 0.495895 0.633503 0.0152082   0.188576    -0.243513   40  VAL   B HG13 
436  H HG21 . VAL   A 28  ? 0.547352 0.479439 0.581658 0.00776852  0.155204    -0.25436    40  VAL   B HG21 
437  H HG22 . VAL   A 28  ? 0.523207 0.448836 0.585769 -0.00226221 0.130567    -0.252758   40  VAL   B HG22 
438  H HG23 . VAL   A 28  ? 0.500028 0.440972 0.559941 -0.00330961 0.142219    -0.228529   40  VAL   B HG23 
439  N N    . GLY   A 29  ? 0.499421 0.453124 0.716326 0.00449464  0.146984    -0.205153   41  GLY   B N    
440  C CA   . GLY   A 29  ? 0.497421 0.460148 0.761279 0.0133178   0.151059    -0.202092   41  GLY   B CA   
441  C C    . GLY   A 29  ? 0.534017 0.510897 0.807686 0.0228478   0.175792    -0.214481   41  GLY   B C    
442  O O    . GLY   A 29  ? 0.507732 0.478862 0.748347 0.025233    0.189826    -0.228927   41  GLY   B O    
443  H H    . GLY   A 29  ? 0.482767 0.444213 0.684798 -0.00125492 0.146435    -0.195853   41  GLY   B H    
444  H HA2  . GLY   A 29  ? 0.505274 0.454008 0.78273  0.0174608   0.143596    -0.20585    41  GLY   B HA2  
445  H HA3  . GLY   A 29  ? 0.478888 0.452556 0.755823 0.00962023  0.144929    -0.18802    41  GLY   B HA3  
446  N N    . ASN   A 30  ? 0.575872 0.573489 0.895685 0.028968    0.180766    -0.208662   42  ASN   B N    
447  C CA   . ASN   A 30  ? 0.592815 0.609804 0.935744 0.0386811   0.205619    -0.219355   42  ASN   B CA   
448  C C    . ASN   A 30  ? 0.582502 0.632279 0.95622  0.0323825   0.213768    -0.206604   42  ASN   B C    
449  O O    . ASN   A 30  ? 0.591542 0.649225 0.980994 0.024838    0.195813    -0.191382   42  ASN   B O    
450  C CB   . ASN   A 30  ? 0.604063 0.618763 0.988988 0.0559064   0.204978    -0.229875   42  ASN   B CB   
451  C CG   . ASN   A 30  ? 0.642284 0.620356 1.00549  0.0604777   0.194476    -0.241745   42  ASN   B CG   
452  O OD1  . ASN   A 30  ? 0.648832 0.610189 1.0228   0.0600349   0.1736      -0.232727   42  ASN   B OD1  
453  N ND2  . ASN   A 30  ? 0.670623 0.634467 1.00202  0.0642885   0.208668    -0.261853   42  ASN   B ND2  
454  H H    . ASN   A 30  ? 0.542503 0.543659 0.880978 0.0274335   0.167909    -0.19792    42  ASN   B H    
455  H HA   . ASN   A 30  ? 0.615338 0.626296 0.928951 0.0392864   0.219007    -0.229029   42  ASN   B HA   
456  H HB2  . ASN   A 30  ? 0.58975  0.613992 1.0049   0.0574701   0.193298    -0.219969   42  ASN   B HB2  
457  H HB3  . ASN   A 30  ? 0.622581 0.650069 1.02011  0.063217    0.223499    -0.239155   42  ASN   B HB3  
458  H HD21 . ASN   A 30  ? 0.687714 0.629852 1.00792  0.0659119   0.202222    -0.270888   42  ASN   B HD21 
459  H HD22 . ASN   A 30  ? 0.682178 0.657553 1.00278  0.0652229   0.22469     -0.26654    42  ASN   B HD22 
460  N N    . GLY   A 31  ? 0.611739 0.68096  0.997296 0.0359783   0.242101    -0.214432   43  GLY   B N    
461  C CA   . GLY   A 31  ? 0.624099 0.725156 1.04289  0.0273242   0.254371    -0.204705   43  GLY   B CA   
462  C C    . GLY   A 31  ? 0.669526 0.762829 1.04213  0.0110018   0.2622      -0.193154   43  GLY   B C    
463  O O    . GLY   A 31  ? 0.725552 0.792115 1.04258  0.0083454   0.254231    -0.192228   43  GLY   B O    
464  H H    . GLY   A 31  ? 0.638095 0.700406 1.01142  0.0436084   0.254927    -0.226639   43  GLY   B H    
465  H HA2  . GLY   A 31  ? 0.641235 0.758136 1.08229  0.033729    0.274413    -0.212873   43  GLY   B HA2  
466  H HA3  . GLY   A 31  ? 0.604496 0.71631  1.05513  0.0263207   0.237944    -0.197846   43  GLY   B HA3  
467  N N    . GLU   A 32  ? 0.6924   0.809598 1.09058  0.00098476  0.279815    -0.185677   44  GLU   B N    
468  C CA   . GLU   A 32  ? 0.677285 0.78743  1.04722  -0.0160197  0.279968    -0.170073   44  GLU   B CA   
469  C C    . GLU   A 32  ? 0.564541 0.683266 0.966187 -0.024248   0.249802    -0.159385   44  GLU   B C    
470  O O    . GLU   A 32  ? 0.602176 0.704519 0.971008 -0.034356   0.23671     -0.147711   44  GLU   B O    
471  C CB   . GLU   A 32  ? 0.682931 0.80684  1.05738  -0.0220824  0.318873    -0.169169   44  GLU   B CB   
472  H H    . GLU   A 32  ? 0.684585 0.822762 1.12083  0.00484195  0.292552    -0.190826   44  GLU   B H    
473  H HA   . GLU   A 32  ? 0.669617 0.756863 0.991107 -0.0158229  0.27502     -0.168601   44  GLU   B HA   
476  N N    . GLU   A 33  ? 0.47726  0.618922 0.937388 -0.0167481  0.236075    -0.164161   45  GLU   B N    
477  C CA   . GLU   A 33  ? 0.421291 0.577089 0.916183 -0.0227221  0.210114    -0.15608    45  GLU   B CA   
478  C C    . GLU   A 33  ? 0.41346  0.540777 0.866912 -0.0233152  0.180767    -0.146588   45  GLU   B C    
479  O O    . GLU   A 33  ? 0.435576 0.542891 0.866975 -0.0127722  0.171139    -0.149751   45  GLU   B O    
480  C CB   . GLU   A 33  ? 0.396988 0.581337 0.956987 -0.00932814 0.197254    -0.163543   45  GLU   B CB   
481  H H    . GLU   A 33  ? 0.49606  0.644249 0.973532 -0.00605694 0.242574    -0.173392   45  GLU   B H    
482  H HA   . GLU   A 33  ? 0.424193 0.589464 0.927381 -0.0348307  0.21856     -0.151573   45  GLU   B HA   
485  N N    . THR   A 34  ? 0.385443 0.510196 0.829097 -0.0364594  0.168756    -0.135601   46  THR   B N    
486  C CA   . THR   A 34  ? 0.365422 0.46943  0.778675 -0.0366943  0.140988    -0.126053   46  THR   B CA   
487  C C    . THR   A 34  ? 0.373388 0.495333 0.822856 -0.0401452  0.119828    -0.121905   46  THR   B C    
488  O O    . THR   A 34  ? 0.415003 0.56241  0.905507 -0.0478732  0.127966    -0.125736   46  THR   B O    
489  C CB   . THR   A 34  ? 0.341874 0.420505 0.696549 -0.0465452  0.144896    -0.11772    46  THR   B CB   
490  O OG1  . THR   A 34  ? 0.354701 0.443464 0.722247 -0.0599615  0.155395    -0.11366    46  THR   B OG1  
491  C CG2  . THR   A 34  ? 0.364293 0.427512 0.679297 -0.0432635  0.164825    -0.123129   46  THR   B CG2  
492  H H    . THR   A 34  ? 0.390113 0.525806 0.846741 -0.0456573  0.179433    -0.134272   46  THR   B H    
493  H HA   . THR   A 34  ? 0.365804 0.461017 0.774334 -0.0269806  0.132664    -0.128252   46  THR   B HA   
494  H HB   . THR   A 34  ? 0.340892 0.407634 0.677543 -0.0459623  0.127436    -0.111878   46  THR   B HB   
496  H HG21 . THR   A 34  ? 0.366806 0.414365 0.644825 -0.0470183  0.1619      -0.117543   46  THR   B HG21 
497  H HG22 . THR   A 34  ? 0.37668  0.448865 0.700856 -0.0455258  0.184614    -0.126422   46  THR   B HG22 
498  H HG23 . THR   A 34  ? 0.365909 0.425549 0.682738 -0.0345391  0.160794    -0.129349   46  THR   B HG23 
499  N N    . PRO   A 35  ? 0.396457 0.505655 0.830639 -0.0353376  0.0923676   -0.114414   47  PRO   B N    
500  C CA   . PRO   A 35  ? 0.43915  0.565257 0.904595 -0.0345229  0.069165    -0.11268    47  PRO   B CA   
501  C C    . PRO   A 35  ? 0.461521 0.590934 0.924282 -0.0516003  0.0685363   -0.110067   47  PRO   B C    
502  O O    . PRO   A 35  ? 0.46974  0.576261 0.888061 -0.0610603  0.07624     -0.103404   47  PRO   B O    
503  C CB   . PRO   A 35  ? 0.436281 0.540641 0.872153 -0.0239748  0.0445759   -0.103525   47  PRO   B CB   
504  C CG   . PRO   A 35  ? 0.414038 0.489406 0.798007 -0.0278167  0.0553022   -0.0987068  47  PRO   B CG   
505  C CD   . PRO   A 35  ? 0.394788 0.473934 0.781068 -0.0308784  0.0828737   -0.107718   47  PRO   B CD   
506  H HA   . PRO   A 35  ? 0.430526 0.577936 0.936212 -0.0284403  0.0691828   -0.119249   47  PRO   B HA   
507  H HB2  . PRO   A 35  ? 0.426685 0.531573 0.858614 -0.0267219  0.0299428   -0.0994922  47  PRO   B HB2  
508  H HB3  . PRO   A 35  ? 0.432859 0.541151 0.886717 -0.0118981  0.037995    -0.105273   47  PRO   B HB3  
509  H HG2  . PRO   A 35  ? 0.408584 0.475458 0.76842  -0.035673   0.0526827   -0.0934385  47  PRO   B HG2  
510  H HG3  . PRO   A 35  ? 0.414616 0.477195 0.787434 -0.0198066  0.047279    -0.0955438  47  PRO   B HG3  
511  H HD2  . PRO   A 35  ? 0.402651 0.469871 0.757846 -0.0380137  0.0911205   -0.105252   47  PRO   B HD2  
512  H HD3  . PRO   A 35  ? 0.40638  0.480944 0.79547  -0.0223533  0.085645    -0.1119     47  PRO   B HD3  
513  N N    . MET   A 36  ? 0.446158 0.604936 0.960155 -0.0544482  0.0589408   -0.116777   48  MET   B N    
514  C CA   . MET   A 36  ? 0.40663  0.570094 0.928684 -0.0702822  0.0525206   -0.117393   48  MET   B CA   
515  C C    . MET   A 36  ? 0.375159 0.528187 0.87661  -0.0628107  0.0185102   -0.112827   48  MET   B C    
516  O O    . MET   A 36  ? 0.349672 0.501631 0.848002 -0.0451788  0.00111101  -0.110182   48  MET   B O    
517  C CB   . MET   A 36  ? 0.469068 0.674327 1.06455  -0.076462   0.0564328   -0.130142   48  MET   B CB   
518  C CG   . MET   A 36  ? 0.494637 0.715235 1.1169   -0.0811158  0.0924487   -0.135185   48  MET   B CG   
519  S SD   . MET   A 36  ? 0.578243 0.770015 1.15702  -0.102429   0.126469    -0.12696    48  MET   B SD   
520  C CE   . MET   A 36  ? 0.61432  0.81516  1.20096  -0.0976758  0.166992    -0.130657   48  MET   B CE   
521  H H    . MET   A 36  ? 0.438308 0.615501 0.985761 -0.045736   0.0556545   -0.122289   48  MET   B H    
522  H HA   . MET   A 36  ? 0.424591 0.571248 0.919013 -0.0805721  0.0671969   -0.11312    48  MET   B HA   
523  H HB2  . MET   A 36  ? 0.45415  0.675775 1.07456  -0.0644613  0.038384    -0.134134   48  MET   B HB2  
524  H HB3  . MET   A 36  ? 0.461321 0.668584 1.06432  -0.0889567  0.0523801   -0.131852   48  MET   B HB3  
525  H HG2  . MET   A 36  ? 0.500483 0.716072 1.11166  -0.0688165  0.0969277   -0.134596   48  MET   B HG2  
526  H HG3  . MET   A 36  ? 0.501362 0.752493 1.17598  -0.0836999  0.0936174   -0.143767   48  MET   B HG3  
527  H HE1  . MET   A 36  ? 0.622632 0.807268 1.18267  -0.106916   0.18723     -0.125389   48  MET   B HE1  
528  H HE2  . MET   A 36  ? 0.605432 0.797011 1.17065  -0.0842968  0.162478    -0.130357   48  MET   B HE2  
529  H HE3  . MET   A 36  ? 0.608227 0.838905 1.24648  -0.0985658  0.173444    -0.13866    48  MET   B HE3  
530  N N    . ILE   A 37  ? 0.359542 0.502202 0.845023 -0.0756543  0.0109491   -0.111738   49  ILE   B N    
531  C CA   . ILE   A 37  ? 0.369706 0.506488 0.840141 -0.0697155  -0.02088    -0.110742   49  ILE   B CA   
532  C C    . ILE   A 37  ? 0.370039 0.53968  0.890173 -0.0567485  -0.0450287  -0.119901   49  ILE   B C    
533  O O    . ILE   A 37  ? 0.378934 0.583081 0.959922 -0.0630052  -0.0407757  -0.13219    49  ILE   B O    
534  C CB   . ILE   A 37  ? 0.407736 0.535901 0.872515 -0.0880251  -0.0227216  -0.114544   49  ILE   B CB   
535  C CG1  . ILE   A 37  ? 0.412205 0.509906 0.834497 -0.100386   0.00335152  -0.105918   49  ILE   B CG1  
536  C CG2  . ILE   A 37  ? 0.427849 0.547421 0.87058  -0.0809345  -0.0559477  -0.115644   49  ILE   B CG2  
537  C CD1  . ILE   A 37  ? 0.441733 0.512797 0.80709  -0.08907    0.00841442  -0.0931815  49  ILE   B CD1  
538  H H    . ILE   A 37  ? 0.371278 0.508765 0.853548 -0.0880424  0.026908    -0.11177    49  ILE   B H    
539  H HA   . ILE   A 37  ? 0.372899 0.489238 0.804184 -0.0615609  -0.0256818  -0.102167   49  ILE   B HA   
540  H HB   . ILE   A 37  ? 0.405802 0.556226 0.914799 -0.0966347  -0.0190682  -0.12373    49  ILE   B HB   
541  H HG12 . ILE   A 37  ? 0.42083  0.527492 0.865108 -0.108502   0.0234732   -0.108303   49  ILE   B HG12 
542  H HG13 . ILE   A 37  ? 0.429084 0.515314 0.840309 -0.108494   -0.00218145 -0.106993   49  ILE   B HG13 
543  H HG21 . ILE   A 37  ? 0.432546 0.537135 0.858063 -0.091183   -0.0544629  -0.116166   49  ILE   B HG21 
544  H HG22 . ILE   A 37  ? 0.423055 0.528777 0.833049 -0.068528   -0.0625516  -0.107242   49  ILE   B HG22 
545  H HG23 . ILE   A 37  ? 0.427346 0.569788 0.90535  -0.0779141  -0.0717816  -0.124549   49  ILE   B HG23 
546  H HD11 . ILE   A 37  ? 0.428041 0.495949 0.780239 -0.0785772  -0.00940157 -0.0906186  49  ILE   B HD11 
547  H HD12 . ILE   A 37  ? 0.437015 0.488169 0.771895 -0.0951833  0.0163267   -0.0884083  49  ILE   B HD12 
548  H HD13 . ILE   A 37  ? 0.425688 0.502551 0.79834  -0.0858161  0.0217559   -0.0927228  49  ILE   B HD13 
549  N N    . GLY   A 38  ? 0.369451 0.529002 0.863811 -0.0381829  -0.0707363  -0.113677   50  GLY   B N    
550  C CA   . GLY   A 38  ? 0.386039 0.572682 0.917918 -0.0213403  -0.0980264  -0.1205     50  GLY   B CA   
551  C C    . GLY   A 38  ? 0.38351  0.577808 0.934524 -0.00254063 -0.092759   -0.117276   50  GLY   B C    
552  O O    . GLY   A 38  ? 0.454973 0.661697 1.02204  0.0177443   -0.116689   -0.117922   50  GLY   B O    
553  H H    . GLY   A 38  ? 0.374464 0.509725 0.826396 -0.0351574  -0.0710903  -0.104557   50  GLY   B H    
554  H HA2  . GLY   A 38  ? 0.394366 0.568789 0.897801 -0.0131744  -0.117858   -0.116339   50  GLY   B HA2  
555  H HA3  . GLY   A 38  ? 0.384112 0.596237 0.957607 -0.0294611  -0.101557   -0.132091   50  GLY   B HA3  
556  N N    . ASP   A 39  ? 0.336114 0.520585 0.882309 -0.00769333 -0.0624477  -0.114275   51  ASP   B N    
557  C CA   . ASP   A 39  ? 0.335337 0.518187 0.891453 0.00956798  -0.0551666  -0.11182    51  ASP   B CA   
558  C C    . ASP   A 39  ? 0.323958 0.476956 0.836706 0.0283347   -0.0744947  -0.0978339  51  ASP   B C    
559  O O    . ASP   A 39  ? 0.32376  0.451385 0.787407 0.0237818   -0.0814849  -0.0882368  51  ASP   B O    
560  C CB   . ASP   A 39  ? 0.330888 0.502298 0.87686  -0.0002671  -0.0206531  -0.112285   51  ASP   B CB   
561  C CG   . ASP   A 39  ? 0.318386 0.521393 0.914264 -0.0120922  0.002982    -0.125087   51  ASP   B CG   
562  O OD1  . ASP   A 39  ? 0.288614 0.528433 0.939933 -0.0129028  -0.00708757 -0.135269   51  ASP   B OD1  
563  O OD2  . ASP   A 39  ? 0.320632 0.512234 0.900024 -0.0199534  0.0318095   -0.125268   51  ASP   B OD2  
564  H H    . ASP   A 39  ? 0.338731 0.515931 0.873793 -0.0217738  -0.0460999  -0.114281   51  ASP   B H    
565  H HA   . ASP   A 39  ? 0.333039 0.543152 0.93376  0.0164784   -0.0606091  -0.119991   51  ASP   B HA   
566  H HB2  . ASP   A 39  ? 0.325968 0.476412 0.83394  -0.0097346  -0.0147991  -0.106404   51  ASP   B HB2  
567  H HB3  . ASP   A 39  ? 0.332903 0.494321 0.873768 0.0115469   -0.0181825  -0.10969    51  ASP   B HB3  
568  N N    . LYS   A 40  ? 0.318268 0.474899 0.851314 0.0504821   -0.0830961  -0.0965058  52  LYS   B N    
569  C CA   . LYS   A 40  ? 0.319645 0.441544 0.812547 0.0682976   -0.0930885  -0.0811033  52  LYS   B CA   
570  C C    . LYS   A 40  ? 0.313183 0.408892 0.786817 0.062618    -0.0656532  -0.0780248  52  LYS   B C    
571  O O    . LYS   A 40  ? 0.294967 0.40473  0.801312 0.0610966   -0.0469841  -0.0888713  52  LYS   B O    
572  C CB   . LYS   A 40  ? 0.32305  0.453685 0.839901 0.0965237   -0.116183   -0.0790412  52  LYS   B CB   
573  H H    . LYS   A 40  ? 0.317398 0.498486 0.891883 0.0547422   -0.0815774  -0.105264   52  LYS   B H    
574  H HA   . LYS   A 40  ? 0.322636 0.429526 0.780629 0.0649084   -0.101931   -0.0736563  52  LYS   B HA   
577  N N    . VAL   A 41  ? 0.329249 0.389167 0.750175 0.0585498   -0.0632074  -0.0648036  53  VAL   B N    
578  C CA   . VAL   A 41  ? 0.337323 0.3725   0.734602 0.0491527   -0.0404378  -0.063312   53  VAL   B CA   
579  C C    . VAL   A 41  ? 0.368236 0.366718 0.739025 0.0609726   -0.0427237  -0.0498393  53  VAL   B C    
580  O O    . VAL   A 41  ? 0.358522 0.340018 0.700134 0.0677664   -0.0571366  -0.035375   53  VAL   B O    
581  C CB   . VAL   A 41  ? 0.321582 0.350442 0.68427  0.0287554   -0.0313565  -0.0618136  53  VAL   B CB   
582  C CG1  . VAL   A 41  ? 0.330214 0.336633 0.66998  0.0213829   -0.0123294  -0.061728   53  VAL   B CG1  
583  C CG2  . VAL   A 41  ? 0.308956 0.365218 0.693026 0.0147312   -0.0238355  -0.0732544  53  VAL   B CG2  
584  H H    . VAL   A 41  ? 0.336933 0.388706 0.736391 0.0620967   -0.0769364  -0.0570319  53  VAL   B H    
585  H HA   . VAL   A 41  ? 0.332334 0.377987 0.753701 0.0483597   -0.0281311  -0.072811   53  VAL   B HA   
586  H HB   . VAL   A 41  ? 0.328854 0.348468 0.668408 0.0302936   -0.0431056  -0.0531117  53  VAL   B HB   
587  H HG11 . VAL   A 41  ? 0.329987 0.33998  0.689583 0.0245979   -0.00310894 -0.069362   53  VAL   B HG11 
588  H HG12 . VAL   A 41  ? 0.337074 0.323735 0.657399 0.0255745   -0.0166592  -0.0526876  53  VAL   B HG12 
589  H HG13 . VAL   A 41  ? 0.316753 0.324742 0.641407 0.00960678  -0.00498046 -0.0636175  53  VAL   B HG13 
590  H HG21 . VAL   A 41  ? 0.301602 0.349649 0.660691 0.00372477  -0.0175278  -0.071242   53  VAL   B HG21 
591  H HG22 . VAL   A 41  ? 0.309095 0.380132 0.708774 0.0175331   -0.037447   -0.074645   53  VAL   B HG22 
592  H HG23 . VAL   A 41  ? 0.305624 0.372282 0.712823 0.0142376   -0.0112511  -0.0813798  53  VAL   B HG23 
593  N N    . TYR   A 42  ? 0.388777 0.372243 0.766047 0.0611607   -0.0256243  -0.0550948  54  TYR   B N    
594  C CA   . TYR   A 42  ? 0.416148 0.362491 0.777254 0.0701008   -0.0236469  -0.0451552  54  TYR   B CA   
595  C C    . TYR   A 42  ? 0.401259 0.328283 0.741345 0.0533195   -0.00503681 -0.0494284  54  TYR   B C    
596  O O    . TYR   A 42  ? 0.410773 0.346403 0.764212 0.0466665   0.00975768  -0.0651458  54  TYR   B O    
597  C CB   . TYR   A 42  ? 0.454029 0.398294 0.850267 0.0891585   -0.0226153  -0.051442   54  TYR   B CB   
598  C CG   . TYR   A 42  ? 0.461831 0.428945 0.887282 0.11        -0.0427344  -0.0497786  54  TYR   B CG   
599  C CD1  . TYR   A 42  ? 0.458776 0.470117 0.92442  0.109053    -0.0446203  -0.0643039  54  TYR   B CD1  
600  C CD2  . TYR   A 42  ? 0.511276 0.455686 0.925747 0.131558    -0.0594475  -0.0338931  54  TYR   B CD2  
601  C CE1  . TYR   A 42  ? 0.479326 0.516891 0.977759 0.12802     -0.0655676  -0.0652524  54  TYR   B CE1  
602  C CE2  . TYR   A 42  ? 0.537657 0.504598 0.977804 0.153558    -0.0813345  -0.0333556  54  TYR   B CE2  
603  C CZ   . TYR   A 42  ? 0.508688 0.524977 0.993419 0.151485    -0.0858864  -0.0502959  54  TYR   B CZ   
604  O OH   . TYR   A 42  ? 0.510786 0.551926 1.02494  0.174085    -0.109991   -0.0512239  54  TYR   B OH   
605  H H    . TYR   A 42  ? 0.374857 0.370735 0.767155 0.0550802   -0.0139866  -0.0659275  54  TYR   B H    
606  H HA   . TYR   A 42  ? 0.428331 0.362299 0.769938 0.0755588   -0.0347231  -0.0321076  54  TYR   B HA   
607  H HB2  . TYR   A 42  ? 0.439769 0.395152 0.852505 0.0838244   -0.00989602 -0.0646353  54  TYR   B HB2  
608  H HB3  . TYR   A 42  ? 0.469736 0.38486  0.853938 0.0939895   -0.0200974  -0.0445666  54  TYR   B HB3  
609  H HD1  . TYR   A 42  ? 0.438322 0.463015 0.909332 0.0949938   -0.0317493  -0.0735958  54  TYR   B HD1  
610  H HD2  . TYR   A 42  ? 0.527294 0.440193 0.915797 0.131642    -0.0560638  -0.0229429  54  TYR   B HD2  
611  H HE1  . TYR   A 42  ? 0.461893 0.531791 0.992073 0.125406    -0.0659285  -0.0760278  54  TYR   B HE1  
612  H HE2  . TYR   A 42  ? 0.559957 0.509099 0.987587 0.169905    -0.0932278  -0.0213974  54  TYR   B HE2  
614  N N    . VAL   A 43  ? 0.399942 0.301034 0.707686 0.0478609   -0.00584897 -0.035869   55  VAL   B N    
615  C CA   . VAL   A 43  ? 0.380951 0.268628 0.671652 0.0311301   0.00839453  -0.0407301  55  VAL   B CA   
616  C C    . VAL   A 43  ? 0.407897 0.258446 0.685696 0.0323194   0.0111593   -0.028321   55  VAL   B C    
617  O O    . VAL   A 43  ? 0.427531 0.26212  0.694216 0.0435849   0.00216414  -0.0103057  55  VAL   B O    
618  C CB   . VAL   A 43  ? 0.345423 0.247044 0.610199 0.016414    0.00784793  -0.0381574  55  VAL   B CB   
619  C CG1  . VAL   A 43  ? 0.325237 0.257761 0.600287 0.0118567   0.00883387  -0.0496365  55  VAL   B CG1  
620  C CG2  . VAL   A 43  ? 0.349445 0.24205  0.59015  0.0212124   -0.00417494 -0.0187264  55  VAL   B CG2  
621  H H    . VAL   A 43  ? 0.410653 0.303205 0.707396 0.0551156   -0.0154382  -0.0237033  55  VAL   B H    
622  H HA   . VAL   A 43  ? 0.378419 0.270986 0.682255 0.0286342   0.0170883   -0.0539537  55  VAL   B HA   
623  H HB   . VAL   A 43  ? 0.346114 0.240192 0.601885 0.00688513  0.0159926   -0.0419408  55  VAL   B HB   
624  H HG11 . VAL   A 43  ? 0.325208 0.268034 0.611911 0.019547    -0.00014863 -0.047082   55  VAL   B HG11 
625  H HG12 . VAL   A 43  ? 0.323942 0.260699 0.611975 0.0105037   0.0179757   -0.0610026  55  VAL   B HG12 
626  H HG13 . VAL   A 43  ? 0.313126 0.250354 0.570139 0.00289274  0.00975614  -0.0483409  55  VAL   B HG13 
627  H HG21 . VAL   A 43  ? 0.336776 0.240263 0.563355 0.0139534   -0.00539296 -0.0184813  55  VAL   B HG21 
628  H HG22 . VAL   A 43  ? 0.366429 0.238741 0.597327 0.0204776   -0.00047441 -0.0108966  55  VAL   B HG22 
629  H HG23 . VAL   A 43  ? 0.359743 0.255656 0.608357 0.0327832   -0.0140114  -0.0147547  55  VAL   B HG23 
630  N N    . HIS   A 44  ? 0.401238 0.23838  0.679076 0.0198682   0.0239378   -0.0385288  56  HIS   B N    
631  C CA   . HIS   A 44  ? 0.448843 0.259775 0.711577 0.0102094   0.0293251   -0.028351   56  HIS   B CA   
632  C C    . HIS   A 44  ? 0.431473 0.262373 0.677416 -0.00732968 0.0322741   -0.0333904  56  HIS   B C    
633  O O    . HIS   A 44  ? 0.405579 0.259222 0.653094 -0.0127807  0.0340941   -0.0489689  56  HIS   B O    
634  C CB   . HIS   A 44  ? 0.478802 0.258413 0.757363 0.00788994  0.0395774   -0.0369547  56  HIS   B CB   
635  C CG   . HIS   A 44  ? 0.495418 0.245113 0.78327  0.026453    0.0370121   -0.0247772  56  HIS   B CG   
636  N ND1  . HIS   A 44  ? 0.525642 0.254758 0.795791 0.034878    0.0323269   0.0008375   56  HIS   B ND1  
637  C CD2  . HIS   A 44  ? 0.507907 0.246504 0.817322 0.0413187   0.0374844   -0.0331988  56  HIS   B CD2  
638  C CE1  . HIS   A 44  ? 0.550521 0.25348  0.830095 0.0544476   0.0294747   0.00835023  56  HIS   B CE1  
639  N NE2  . HIS   A 44  ? 0.545521 0.254281 0.851309 0.0587863   0.0323653   -0.0125736  56  HIS   B NE2  
640  H H    . HIS   A 44  ? 0.404414 0.249634 0.692756 0.0171726   0.0295995   -0.0528032  56  HIS   B H    
641  H HA   . HIS   A 44  ? 0.456462 0.257302 0.708752 0.017107    0.0241197   -0.0121056  56  HIS   B HA   
642  H HB2  . HIS   A 44  ? 0.466848 0.255949 0.755924 0.00575067  0.0431775   -0.0540634  56  HIS   B HB2  
643  H HB3  . HIS   A 44  ? 0.479317 0.248387 0.751172 -0.00373587 0.0446622   -0.0343869  56  HIS   B HB3  
645  H HD2  . HIS   A 44  ? 0.504465 0.251594 0.827543 0.0409808   0.0414959   -0.0500083  56  HIS   B HD2  
646  H HE1  . HIS   A 44  ? 0.578431 0.26135  0.84624  0.064808    0.026282    0.0258643   56  HIS   B HE1  
648  N N    . TYR   A 45  ? 0.463467 0.284824 0.692524 -0.014513   0.0338028   -0.0190953  57  TYR   B N    
649  C CA   . TYR   A 45  ? 0.435056 0.275009 0.650469 -0.0290183  0.0363316   -0.0230242  57  TYR   B CA   
650  C C    . TYR   A 45  ? 0.43994  0.262079 0.654139 -0.0398428  0.0448436   -0.0139507  57  TYR   B C    
651  O O    . TYR   A 45  ? 0.440318 0.233212 0.656628 -0.0352804  0.0491274   0.00092735  57  TYR   B O    
652  C CB   . TYR   A 45  ? 0.394444 0.254964 0.588436 -0.0247049  0.0277736   -0.013805   57  TYR   B CB   
653  C CG   . TYR   A 45  ? 0.384161 0.231404 0.558765 -0.0173841  0.0242926   0.00882918  57  TYR   B CG   
654  C CD1  . TYR   A 45  ? 0.38334  0.227536 0.542507 -0.0248381  0.030609    0.0192362   57  TYR   B CD1  
655  C CD2  . TYR   A 45  ? 0.398706 0.237271 0.568977 -0.00112189 0.0145567   0.0199518   57  TYR   B CD2  
656  C CE1  . TYR   A 45  ? 0.400482 0.231665 0.536383 -0.0165509  0.0297503   0.040241    57  TYR   B CE1  
657  C CE2  . TYR   A 45  ? 0.40881  0.233664 0.553887 0.00827964  0.0104493   0.040418    57  TYR   B CE2  
658  C CZ   . TYR   A 45  ? 0.406714 0.226185 0.531617 0.00081893  0.0192239   0.051518    57  TYR   B CZ   
659  O OH   . TYR   A 45  ? 0.420797 0.225156 0.516158 0.0121248   0.0169737   0.0719758   57  TYR   B OH   
660  H H    . TYR   A 45  ? 0.474511 0.277232 0.700273 -0.00929177 0.0338501   -0.00608604 57  TYR   B H    
661  H HA   . TYR   A 45  ? 0.419962 0.270491 0.641627 -0.0345125  0.0385767   -0.0385994  57  TYR   B HA   
662  H HB2  . TYR   A 45  ? 0.377764 0.252046 0.564477 -0.0328022  0.0294542   -0.0195042  57  TYR   B HB2  
663  H HB3  . TYR   A 45  ? 0.385218 0.254972 0.584358 -0.0181288  0.0227788   -0.0182882  57  TYR   B HB3  
664  H HD1  . TYR   A 45  ? 0.374031 0.226857 0.53771  -0.0353474  0.0358785   0.0114739   57  TYR   B HD1  
665  H HD2  . TYR   A 45  ? 0.393485 0.236689 0.577786 0.00503851  0.00999987  0.0129869   57  TYR   B HD2  
666  H HE1  . TYR   A 45  ? 0.401604 0.232706 0.528523 -0.0221578  0.0364392   0.0465433   57  TYR   B HE1  
667  H HE2  . TYR   A 45  ? 0.422277 0.242479 0.563699 0.0209973   0.00144469  0.0464553   57  TYR   B HE2  
669  N N    . LYS   A 46  ? 0.419706 0.260442 0.631163 -0.0535362  0.0477032   -0.0226529  58  LYS   B N    
670  C CA   . LYS   A 46  ? 0.465627 0.302033 0.674571 -0.063297   0.0551232   -0.0110293  58  LYS   B CA   
671  C C    . LYS   A 46  ? 0.422772 0.289982 0.616093 -0.0673116  0.0518987   -0.0127009  58  LYS   B C    
672  O O    . LYS   A 46  ? 0.451104 0.339271 0.64218  -0.0687681  0.046427    -0.0288184  58  LYS   B O    
673  C CB   . LYS   A 46  ? 0.509251 0.329269 0.744177 -0.0781193  0.0650086   -0.0200243  58  LYS   B CB   
674  C CG   . LYS   A 46  ? 0.517793 0.341158 0.770596 -0.0840231  0.0627121   -0.0471294  58  LYS   B CG   
675  C CD   . LYS   A 46  ? 0.568874 0.361972 0.848142 -0.0949778  0.0716794   -0.0535589  58  LYS   B CD   
676  C CE   . LYS   A 46  ? 0.572933 0.382695 0.869737 -0.111404   0.0701614   -0.0801125  58  LYS   B CE   
677  N NZ   . LYS   A 46  ? 0.590149 0.371668 0.912464 -0.120185   0.0746403   -0.0975405  58  LYS   B NZ   
678  H H    . LYS   A 46  ? 0.413526 0.270241 0.625024 -0.0561242  0.0454538   -0.0356401  58  LYS   B H    
679  H HA   . LYS   A 46  ? 0.472742 0.294748 0.672244 -0.0562109  0.0562644   0.00580608  58  LYS   B HA   
680  H HB2  . LYS   A 46  ? 0.503022 0.333352 0.739864 -0.087357   0.0690614   -0.0182849  58  LYS   B HB2  
681  H HB3  . LYS   A 46  ? 0.53069  0.325091 0.769055 -0.0749006  0.0699943   -0.00877325 58  LYS   B HB3  
682  H HG2  . LYS   A 46  ? 0.514704 0.337209 0.76335  -0.0740611  0.0584424   -0.0507433  58  LYS   B HG2  
683  H HG3  . LYS   A 46  ? 0.503001 0.348888 0.753811 -0.0901085  0.0596517   -0.0579838  58  LYS   B HG3  
684  H HD2  . LYS   A 46  ? 0.581004 0.360494 0.862242 -0.0986006  0.0788086   -0.0379943  58  LYS   B HD2  
685  H HD3  . LYS   A 46  ? 0.579678 0.354539 0.862849 -0.087193   0.0714518   -0.0562476  58  LYS   B HD3  
686  H HE2  . LYS   A 46  ? 0.549153 0.378995 0.835487 -0.107115   0.0630413   -0.0916869  58  LYS   B HE2  
687  H HE3  . LYS   A 46  ? 0.563205 0.385048 0.864362 -0.120603   0.0726495   -0.0758577  58  LYS   B HE3  
688  H HZ1  . LYS   A 46  ? 0.600363 0.37047  0.91923  -0.110595   0.0731212   -0.101776   58  LYS   B HZ1  
689  H HZ2  . LYS   A 46  ? 0.614451 0.375556 0.947556 -0.125724   0.082425    -0.0868849  58  LYS   B HZ2  
690  H HZ3  . LYS   A 46  ? 0.592304 0.387385 0.923093 -0.129323   0.0713041   -0.115245   58  LYS   B HZ3  
691  N N    . GLY   A 47  ? 0.408533 0.275055 0.587958 -0.0666396  0.0562986   0.0054732   59  GLY   B N    
692  C CA   . GLY   A 47  ? 0.361567 0.252707 0.52145  -0.0653313  0.0532658   0.00806599  59  GLY   B CA   
693  C C    . GLY   A 47  ? 0.360373 0.258352 0.526864 -0.0751848  0.0647106   0.0150721   59  GLY   B C    
694  O O    . GLY   A 47  ? 0.378694 0.257439 0.55847  -0.081552   0.0765825   0.0250768   59  GLY   B O    
695  H H    . GLY   A 47  ? 0.427223 0.275361 0.608304 -0.0662158  0.0624175   0.0170966   59  GLY   B H    
696  H HA2  . GLY   A 47  ? 0.349649 0.25683  0.510207 -0.0669838  0.0481439   -0.00513414 59  GLY   B HA2  
697  H HA3  . GLY   A 47  ? 0.367012 0.254492 0.508433 -0.0554919  0.0489381   0.0180495   59  GLY   B HA3  
698  N N    . LYS   A 48  ? 0.365574 0.291706 0.525654 -0.0767293  0.0622384   0.00893521  60  LYS   B N    
699  C CA   . LYS   A 48  ? 0.364053 0.30343  0.528493 -0.0822272  0.0729858   0.0170558   60  LYS   B CA   
700  C C    . LYS   A 48  ? 0.358187 0.322868 0.500843 -0.0738212  0.0661245   0.014534    60  LYS   B C    
701  O O    . LYS   A 48  ? 0.326567 0.296945 0.454293 -0.0670535  0.0540039   0.00520891  60  LYS   B O    
702  C CB   . LYS   A 48  ? 0.364109 0.3132   0.568403 -0.10026    0.0804373   0.00448559  60  LYS   B CB   
703  C CG   . LYS   A 48  ? 0.361826 0.331353 0.579097 -0.104913   0.0681904   -0.0211273  60  LYS   B CG   
704  C CD   . LYS   A 48  ? 0.372167 0.363151 0.627293 -0.121419   0.0714602   -0.0364508  60  LYS   B CD   
705  C CE   . LYS   A 48  ? 0.403046 0.411795 0.663131 -0.122729   0.0566361   -0.0626629  60  LYS   B CE   
706  N NZ   . LYS   A 48  ? 0.433016 0.465271 0.731481 -0.138246   0.0550852   -0.082045   60  LYS   B NZ   
707  H H    . LYS   A 48  ? 0.342505 0.279974 0.495721 -0.0736589  0.0543818   -0.00035476 60  LYS   B H    
708  H HA   . LYS   A 48  ? 0.385151 0.308465 0.5399   -0.0785989  0.0802579   0.0330067   60  LYS   B HA   
709  H HB2  . LYS   A 48  ? 0.371055 0.33373  0.581972 -0.104112   0.0880041   0.00910091  60  LYS   B HB2  
710  H HB3  . LYS   A 48  ? 0.386731 0.314213 0.602459 -0.105073   0.0865934   0.0086461   60  LYS   B HB3  
711  H HG2  . LYS   A 48  ? 0.362843 0.317196 0.580722 -0.104054   0.0644829   -0.0267008  60  LYS   B HG2  
712  H HG3  . LYS   A 48  ? 0.34445  0.328386 0.543639 -0.0969388  0.0609356   -0.0233792  60  LYS   B HG3  
713  H HD2  . LYS   A 48  ? 0.377277 0.386952 0.634589 -0.121547   0.0752577   -0.0316869  60  LYS   B HD2  
714  H HD3  . LYS   A 48  ? 0.401892 0.376404 0.676461 -0.130805   0.0798112   -0.034233   60  LYS   B HD3  
715  H HE2  . LYS   A 48  ? 0.402926 0.393493 0.659399 -0.121526   0.054167    -0.0673846  60  LYS   B HE2  
716  H HE3  . LYS   A 48  ? 0.384033 0.406637 0.623484 -0.113163   0.0495838   -0.0632707  60  LYS   B HE3  
717  H HZ1  . LYS   A 48  ? 0.440275 0.457621 0.759216 -0.148403   0.0619371   -0.082653   60  LYS   B HZ1  
718  H HZ2  . LYS   A 48  ? 0.420517 0.472428 0.725738 -0.139103   0.0576976   -0.0781666  60  LYS   B HZ2  
719  H HZ3  . LYS   A 48  ? 0.421233 0.463424 0.716779 -0.1366     0.0445939   -0.0978957  60  LYS   B HZ3  
720  N N    . LEU   A 49  ? 0.393216 0.368797 0.531974 -0.0730216  0.0762633   0.0253215   61  LEU   B N    
721  C CA   . LEU   A 49  ? 0.376447 0.3807   0.506692 -0.0676539  0.0732354   0.0200386   61  LEU   B CA   
722  C C    . LEU   A 49  ? 0.39233  0.422364 0.552451 -0.0775944  0.0670614   -0.00123154 61  LEU   B C    
723  O O    . LEU   A 49  ? 0.421377 0.449336 0.61301  -0.091378   0.0707771   -0.00892122 61  LEU   B O    
724  C CB   . LEU   A 49  ? 0.351411 0.364754 0.479479 -0.0656933  0.0888439   0.0342784   61  LEU   B CB   
725  C CG   . LEU   A 49  ? 0.366002 0.352705 0.459294 -0.0544412  0.0962208   0.0558228   61  LEU   B CG   
726  C CD1  . LEU   A 49  ? 0.370876 0.36839  0.455795 -0.0498886  0.113556    0.0688252   61  LEU   B CD1  
727  C CD2  . LEU   A 49  ? 0.365045 0.341502 0.422    -0.0400323  0.0795799   0.0538154   61  LEU   B CD2  
728  H H    . LEU   A 49  ? 0.401861 0.36562  0.542976 -0.075069   0.0864538   0.0369458   61  LEU   B H    
729  H HA   . LEU   A 49  ? 0.367404 0.368097 0.473934 -0.0581299  0.0645327   0.0196421   61  LEU   B HA   
730  H HB2  . LEU   A 49  ? 0.364256 0.383854 0.520263 -0.0769276  0.0983261   0.033506    61  LEU   B HB2  
731  H HB3  . LEU   A 49  ? 0.347464 0.380411 0.470591 -0.0604101  0.0856602   0.029252    61  LEU   B HB3  
732  H HG   . LEU   A 49  ? 0.381008 0.34804  0.479875 -0.058781   0.100551    0.0624851   61  LEU   B HG   
733  H HD11 . LEU   A 49  ? 0.380024 0.386534 0.492983 -0.060822   0.125605    0.0696792   61  LEU   B HD11 
734  H HD12 . LEU   A 49  ? 0.394553 0.372229 0.453364 -0.0419039  0.117546    0.0821585   61  LEU   B HD12 
735  H HD13 . LEU   A 49  ? 0.362915 0.377937 0.440503 -0.0434876  0.109011    0.0626447   61  LEU   B HD13 
736  H HD21 . LEU   A 49  ? 0.360002 0.323921 0.419576 -0.0416213  0.0723291   0.0507359   61  LEU   B HD21 
737  H HD22 . LEU   A 49  ? 0.347449 0.340038 0.403198 -0.0378021  0.0733412   0.0442339   61  LEU   B HD22 
738  H HD23 . LEU   A 49  ? 0.378395 0.344187 0.410571 -0.0310247  0.0824279   0.0647974   61  LEU   B HD23 
739  N N    . SER   A 50  ? 0.392022 0.44384  0.540212 -0.0696078  0.0568969   -0.0111097  62  SER   B N    
740  C CA   . SER   A 50  ? 0.424174 0.502143 0.594971 -0.0754606  0.0485939   -0.0312171  62  SER   B CA   
741  C C    . SER   A 50  ? 0.400042 0.507629 0.607987 -0.0846907  0.0571776   -0.0340495  62  SER   B C    
742  O O    . SER   A 50  ? 0.412545 0.539884 0.651879 -0.0950075  0.051546    -0.0518153  62  SER   B O    
743  C CB   . SER   A 50  ? 0.479511 0.566562 0.621095 -0.0615834  0.035432    -0.0383424  62  SER   B CB   
744  O OG   . SER   A 50  ? 0.507988 0.616477 0.642177 -0.0513046  0.0362468   -0.0343218  62  SER   B OG   
745  H H    . SER   A 50  ? 0.395551 0.444709 0.519942 -0.0596596  0.054566    -0.0054376  62  SER   B H    
746  H HA   . SER   A 50  ? 0.423172 0.491698 0.604967 -0.0826642  0.0462051   -0.0389519  62  SER   B HA   
747  H HB2  . SER   A 50  ? 0.46858  0.564431 0.617814 -0.0642731  0.0280322   -0.0518802  62  SER   B HB2  
748  H HB3  . SER   A 50  ? 0.46849  0.536231 0.587544 -0.0562123  0.0337294   -0.0326463  62  SER   B HB3  
750  N N    . ASN   A 51  ? 0.469118 0.580998 0.67354  -0.0805272  0.0707785   -0.0177897  63  ASN   B N    
751  C CA   . ASN   A 51  ? 0.44379  0.578347 0.686445 -0.0912991  0.0868538   -0.0144996  63  ASN   B CA   
752  C C    . ASN   A 51  ? 0.463546 0.583251 0.742984 -0.112559   0.0968444   -0.0159729  63  ASN   B C    
753  O O    . ASN   A 51  ? 0.429152 0.572418 0.754217 -0.127613   0.106034    -0.0224765  63  ASN   B O    
754  C CB   . ASN   A 51  ? 0.387449 0.517273 0.607139 -0.0804746  0.102965    0.00686701  63  ASN   B CB   
755  H H    . ASN   A 51  ? 0.44477  0.544713 0.620526 -0.0700359  0.0706924   -0.00838945 63  ASN   B H    
756  H HA   . ASN   A 51  ? 0.429176 0.593467 0.68963  -0.0911467  0.0806692   -0.0266728  63  ASN   B HA   
759  N N    . GLY   A 52  ? 0.514892 0.595111 0.777198 -0.113759   0.0955481   -0.0102676  64  GLY   B N    
760  C CA   . GLY   A 52  ? 0.537537 0.593046 0.827219 -0.13055    0.10573     -0.00888315 64  GLY   B CA   
761  C C    . GLY   A 52  ? 0.599539 0.63027  0.885447 -0.133087   0.12938     0.0175542   64  GLY   B C    
762  O O    . GLY   A 52  ? 0.716908 0.723836 1.0265   -0.147379   0.141053    0.0213769   64  GLY   B O    
763  H H    . GLY   A 52  ? 0.497472 0.56486  0.729922 -0.10292    0.0881435   -0.00690231 64  GLY   B H    
764  H HA2  . GLY   A 52  ? 0.541709 0.576867 0.818733 -0.127895   0.0977006   -0.012284   64  GLY   B HA2  
765  H HA3  . GLY   A 52  ? 0.542854 0.616602 0.866787 -0.142914   0.105076    -0.0229273  64  GLY   B HA3  
766  N N    . LYS   A 53  ? 0.585749 0.616769 0.837795 -0.11818    0.136764    0.0360108   65  LYS   B N    
767  C CA   . LYS   A 53  ? 0.632554 0.652662 0.884921 -0.121096   0.162856    0.0590508   65  LYS   B CA   
768  C C    . LYS   A 53  ? 0.649901 0.62007  0.863886 -0.111951   0.168934    0.0819817   65  LYS   B C    
769  O O    . LYS   A 53  ? 0.68846  0.637481 0.905872 -0.117941   0.191967    0.101493    65  LYS   B O    
770  C CB   . LYS   A 53  ? 0.610331 0.662896 0.853588 -0.111047   0.171353    0.0642684   65  LYS   B CB   
771  H H    . LYS   A 53  ? 0.579187 0.615494 0.805983 -0.105806   0.126141    0.0342121   65  LYS   B H    
772  H HA   . LYS   A 53  ? 0.633599 0.658856 0.923399 -0.137335   0.17304     0.05527     65  LYS   B HA   
775  N N    . LYS   A 54  ? 0.610176 0.561891 0.788698 -0.097075   0.149152    0.0803218   66  LYS   B N    
776  C CA   . LYS   A 54  ? 0.598924 0.506642 0.749551 -0.0882181  0.149085    0.0969789   66  LYS   B CA   
777  C C    . LYS   A 54  ? 0.589887 0.488748 0.7528   -0.0903825  0.130134    0.0795009   66  LYS   B C    
778  O O    . LYS   A 54  ? 0.551209 0.475895 0.725501 -0.0926771  0.115719    0.0583345   66  LYS   B O    
779  C CB   . LYS   A 54  ? 0.56747  0.46323  0.663434 -0.066217   0.147117    0.114678    66  LYS   B CB   
780  H H    . LYS   A 54  ? 0.584499 0.552339 0.756983 -0.0918412  0.135301    0.0684827   66  LYS   B H    
781  H HA   . LYS   A 54  ? 0.625467 0.516883 0.788896 -0.0964418  0.164992    0.107694    66  LYS   B HA   
784  N N    . PHE   A 55  ? 0.647183 0.508662 0.807713 -0.0887797  0.131864    0.0887229   67  PHE   B N    
785  C CA   . PHE   A 55  ? 0.654844 0.504819 0.831598 -0.0909958  0.1187      0.0729271   67  PHE   B CA   
786  C C    . PHE   A 55  ? 0.635976 0.451132 0.785637 -0.0738449  0.112044    0.0871596   67  PHE   B C    
787  O O    . PHE   A 55  ? 0.754577 0.545422 0.879416 -0.0648004  0.121924    0.111092    67  PHE   B O    
788  C CB   . PHE   A 55  ? 0.692357 0.526681 0.910411 -0.110192   0.130685    0.0663771   67  PHE   B CB   
789  C CG   . PHE   A 55  ? 0.753084 0.616179 1.00642  -0.125042   0.122064    0.0363726   67  PHE   B CG   
790  C CD1  . PHE   A 55  ? 0.821636 0.679497 1.07942  -0.122337   0.10726     0.0173507   67  PHE   B CD1  
791  C CD2  . PHE   A 55  ? 0.797837 0.69354  1.07965  -0.140304   0.128916    0.0269007   67  PHE   B CD2  
792  C CE1  . PHE   A 55  ? 0.86371  0.745454 1.14682  -0.133742   0.0987408   -0.0106071  67  PHE   B CE1  
793  C CE2  . PHE   A 55  ? 0.836089 0.758222 1.1477   -0.151865   0.117776    -0.00197112 67  PHE   B CE2  
794  C CZ   . PHE   A 55  ? 0.865212 0.778726 1.17377  -0.148058   0.102432    -0.0204871  67  PHE   B CZ   
795  H H    . PHE   A 55  ? 0.670184 0.511308 0.816881 -0.0848267  0.142438    0.106233    67  PHE   B H    
796  H HA   . PHE   A 55  ? 0.616802 0.488212 0.795812 -0.0903222  0.106465    0.0570628   67  PHE   B HA   
797  H HB2  . PHE   A 55  ? 0.726445 0.5563   0.951222 -0.117229   0.146464    0.0781237   67  PHE   B HB2  
798  H HB3  . PHE   A 55  ? 0.722948 0.529642 0.93777  -0.105549   0.129355    0.0707153   67  PHE   B HB3  
799  H HD1  . PHE   A 55  ? 0.820728 0.6597   1.06331  -0.111661   0.102911    0.0231925   67  PHE   B HD1  
800  H HD2  . PHE   A 55  ? 0.806942 0.707529 1.08789  -0.142011   0.140918    0.0396562   67  PHE   B HD2  
801  H HE1  . PHE   A 55  ? 0.844619 0.722115 1.12758  -0.13093    0.0902305   -0.0232751  67  PHE   B HE1  
802  H HE2  . PHE   A 55  ? 0.823619 0.770788 1.15642  -0.161129   0.120368    -0.00942186 67  PHE   B HE2  
803  H HZ   . PHE   A 55  ? 0.837356 0.767858 1.16146  -0.154478   0.0945655   -0.0402636  67  PHE   B HZ   
804  N N    . ASP   A 56  ? 0.576485 0.38982  0.731019 -0.0683361  0.0961051   0.0727302   68  ASP   B N    
805  C CA   . ASP   A 56  ? 0.590543 0.377801 0.724901 -0.0501527  0.0869273   0.0837176   68  ASP   B CA   
806  C C    . ASP   A 56  ? 0.593616 0.376922 0.749444 -0.048862   0.0763196   0.0657211   68  ASP   B C    
807  O O    . ASP   A 56  ? 0.573065 0.382076 0.741571 -0.0547297  0.0686588   0.0443484   68  ASP   B O    
808  C CB   . ASP   A 56  ? 0.544553 0.342702 0.641602 -0.0329293  0.0742807   0.0917202   68  ASP   B CB   
809  C CG   . ASP   A 56  ? 0.537091 0.319404 0.619234 -0.0136837  0.0588244   0.0969321   68  ASP   B CG   
810  O OD1  . ASP   A 56  ? 0.595851 0.3449   0.670432 -0.00409514 0.062823    0.11374     68  ASP   B OD1  
811  O OD2  . ASP   A 56  ? 0.480784 0.284339 0.560206 -0.00816216 0.0431039   0.0842777   68  ASP   B OD2  
812  H H    . ASP   A 56  ? 0.565123 0.394665 0.735885 -0.0751323  0.0909218   0.055697    68  ASP   B H    
813  H HA   . ASP   A 56  ? 0.61988  0.381578 0.749956 -0.0485287  0.0968279   0.0991649   68  ASP   B HA   
814  H HB2  . ASP   A 56  ? 0.565844 0.358986 0.6452   -0.0307595  0.0825242   0.105749    68  ASP   B HB2  
815  H HB3  . ASP   A 56  ? 0.518922 0.341355 0.618032 -0.0359961  0.0677427   0.0789742   68  ASP   B HB3  
816  N N    . SER   A 57  ? 0.649368 0.398773 0.805152 -0.0383293  0.0765469   0.0761458   69  SER   B N    
817  C CA   . SER   A 57  ? 0.695235 0.436152 0.872533 -0.0343529  0.0694204   0.0609858   69  SER   B CA   
818  C C    . SER   A 57  ? 0.705742 0.427368 0.868442 -0.0106212  0.058479    0.0738729   69  SER   B C    
819  O O    . SER   A 57  ? 0.764164 0.46149  0.90243  0.00149763  0.0605473   0.0976792   69  SER   B O    
820  C CB   . SER   A 57  ? 0.769332 0.485656 0.9754   -0.0490505  0.0831173   0.0543454   69  SER   B CB   
821  O OG   . SER   A 57  ? 0.831483 0.54478  1.05885  -0.0467233  0.0769858   0.0337152   69  SER   B OG   
822  H H    . SER   A 57  ? 0.680125 0.410276 0.820496 -0.0320562  0.0818157   0.0938378   69  SER   B H    
823  H HA   . SER   A 57  ? 0.66117  0.426672 0.844682 -0.0371368  0.0622887   0.0448213   69  SER   B HA   
824  H HB2  . SER   A 57  ? 0.760595 0.490892 0.976349 -0.063747   0.0891146   0.0473556   69  SER   B HB2  
825  H HB3  . SER   A 57  ? 0.804774 0.492267 1.00531  -0.0454223  0.0909311   0.0709564   69  SER   B HB3  
827  N N    . SER   A 58  ? 0.650465 0.385089 0.828209 -0.00280653 0.0466374   0.0574332   70  SER   B N    
828  C CA   . SER   A 58  ? 0.659531 0.378757 0.837041 0.0192546   0.0360095   0.0642457   70  SER   B CA   
829  C C    . SER   A 58  ? 0.785667 0.458664 0.972521 0.0225888   0.0472115   0.0742989   70  SER   B C    
830  O O    . SER   A 58  ? 0.851481 0.496323 1.02223  0.0420056   0.0434149   0.0944932   70  SER   B O    
831  C CB   . SER   A 58  ? 0.608543 0.355235 0.808746 0.0237314   0.0255986   0.041874    70  SER   B CB   
832  O OG   . SER   A 58  ? 0.56765  0.317049 0.792917 0.00964317  0.0350497   0.0201735   70  SER   B OG   
833  H H    . SER   A 58  ? 0.630454 0.385284 0.819425 -0.0108401  0.045444    0.0413677   70  SER   B H    
834  H HA   . SER   A 58  ? 0.679598 0.399612 0.835245 0.0299239   0.0287838   0.0775301   70  SER   B HA   
835  H HB2  . SER   A 58  ? 0.621844 0.359934 0.826606 0.0389207   0.0187484   0.0456797   70  SER   B HB2  
836  H HB3  . SER   A 58  ? 0.581443 0.353205 0.773798 0.0225109   0.0188264   0.0383141   70  SER   B HB3  
838  N N    . HIS   A 59  ? 0.790315 0.453622 1.00175  0.00411307  0.0603454   0.0596861   71  HIS   B N    
839  C CA   . HIS   A 59  ? 0.837524 0.453536 1.06252  0.00337639  0.0727077   0.0652373   71  HIS   B CA   
840  C C    . HIS   A 59  ? 0.869854 0.448627 1.06847  0.00940764  0.0823742   0.0981781   71  HIS   B C    
841  O O    . HIS   A 59  ? 1.00474  0.544503 1.19522  0.0278588   0.0823976   0.114525    71  HIS   B O    
842  C CB   . HIS   A 59  ? 0.805103 0.421921 1.05947  -0.0211825  0.0836205   0.0410444   71  HIS   B CB   
843  C CG   . HIS   A 59  ? 0.762308 0.414665 1.03214  -0.0232001  0.0743915   0.0109395   71  HIS   B CG   
844  N ND1  . HIS   A 59  ? 0.748139 0.396318 1.0309   -0.00751054 0.0683675   -0.00144646 71  HIS   B ND1  
845  C CD2  . HIS   A 59  ? 0.718649 0.410334 0.990453 -0.0369496  0.0713738   -0.00773371 71  HIS   B CD2  
846  C CE1  . HIS   A 59  ? 0.717557 0.399546 1.00908  -0.0132177  0.0645138   -0.0264442  71  HIS   B CE1  
847  N NE2  . HIS   A 59  ? 0.738484 0.445649 1.02139  -0.0306622  0.0655441   -0.0299836  71  HIS   B NE2  
848  H H    . HIS   A 59  ? 0.760189 0.446042 0.979689 -0.00825701 0.0611311   0.0452272   71  HIS   B H    
849  H HA   . HIS   A 59  ? 0.839916 0.448123 1.07188  0.0179393   0.0660337   0.0618162   71  HIS   B HA   
850  H HB2  . HIS   A 59  ? 0.802186 0.427797 1.05395  -0.0356183  0.090155    0.0438005   71  HIS   B HB2  
851  H HB3  . HIS   A 59  ? 0.843049 0.426358 1.10846  -0.0213783  0.091083    0.0424486   71  HIS   B HB3  
853  H HD2  . HIS   A 59  ? 0.714886 0.420338 0.981584 -0.0482383  0.0737454   -0.00611721 71  HIS   B HD2  
854  H HE1  . HIS   A 59  ? 0.724429 0.411825 1.02561  -0.00505979 0.0620424   -0.0387525  71  HIS   B HE1  
856  N N    . ASP   A 60  ? 0.87013  0.460685 1.05248  -0.00345655 0.0909393   0.109083    72  ASP   B N    
857  C CA   . ASP   A 60  ? 1.00573  0.56744  1.15529  0.00356316  0.101613    0.141447    72  ASP   B CA   
858  C C    . ASP   A 60  ? 1.08482  0.622426 1.20222  0.0357292   0.0888124   0.16289     72  ASP   B C    
859  O O    . ASP   A 60  ? 1.1318   0.626019 1.22388  0.0452534   0.100275    0.190852    72  ASP   B O    
860  C CB   . ASP   A 60  ? 1.04326  0.638488 1.16999  -0.00308749 0.102892    0.147228    72  ASP   B CB   
861  C CG   . ASP   A 60  ? 1.0467   0.666097 1.19746  -0.0319578  0.117291    0.1341      72  ASP   B CG   
862  O OD1  . ASP   A 60  ? 1.04405  0.64563  1.22767  -0.0500982  0.130719    0.125523    72  ASP   B OD1  
863  O OD2  . ASP   A 60  ? 0.925678 0.582164 1.06379  -0.0356032  0.113846    0.130936    72  ASP   B OD2  
864  H H    . ASP   A 60  ? 0.856823 0.475072 1.04792  -0.0165671  0.090855    0.0957244   72  ASP   B H    
865  H HA   . ASP   A 60  ? 1.033    0.567031 1.19306  -0.00733512 0.117546    0.147471    72  ASP   B HA   
866  H HB2  . ASP   A 60  ? 1.00463  0.626673 1.12398  0.00529198  0.0873734   0.138771    72  ASP   B HB2  
867  H HB3  . ASP   A 60  ? 1.06752  0.642721 1.16748  0.00561271  0.109018    0.16923     72  ASP   B HB3  
868  N N    . ARG   A 61  ? 1.06426  0.630829 1.1804   0.0532341   0.065132    0.151302    73  ARG   B N    
869  C CA   . ARG   A 61  ? 1.07185  0.623707 1.15899  0.0847351   0.0487087   0.169327    73  ARG   B CA   
870  C C    . ARG   A 61  ? 1.0976   0.629952 1.20883  0.10252     0.0400917   0.162846    73  ARG   B C    
871  O O    . ARG   A 61  ? 1.12328  0.653305 1.21929  0.130898    0.0213196   0.172024    73  ARG   B O    
872  C CB   . ARG   A 61  ? 0.990554 0.588636 1.05912  0.0912615   0.0288116   0.162736    73  ARG   B CB   
873  H H    . ARG   A 61  ? 1.01382  0.610241 1.14757  0.0456666   0.0589843   0.131966    73  ARG   B H    
874  H HA   . ARG   A 61  ? 1.11083  0.633057 1.1721   0.0897393   0.058043    0.191434    73  ARG   B HA   
877  N N    . ASN   A 62  ? 1.0849   0.603536 1.23309  0.0874048   0.0528609   0.1462      74  ASN   B N    
878  C CA   . ASN   A 62  ? 1.15416  0.652501 1.32896  0.102379    0.0486101   0.136343    74  ASN   B CA   
879  C C    . ASN   A 62  ? 1.16648  0.714122 1.37308  0.103604    0.034272    0.105463    74  ASN   B C    
880  O O    . ASN   A 62  ? 1.24292  0.789944 1.48125  0.0937414   0.0416635   0.0828971   74  ASN   B O    
881  C CB   . ASN   A 62  ? 1.16943  0.62989  1.32066  0.136483    0.0392257   0.161823    74  ASN   B CB   
882  H H    . ASN   A 62  ? 1.08333  0.605442 1.24058  0.0668086   0.064938    0.139778    74  ASN   B H    
883  H HA   . ASN   A 62  ? 1.16267  0.636317 1.35207  0.0890885   0.0633197   0.132307    74  ASN   B HA   
886  N N    . GLU   A 63  ? 1.09333  0.683358 1.29004  0.114015    0.0152984   0.103889    75  GLU   B N    
887  C CA   . GLU   A 63  ? 1.01146  0.640186 1.2349   0.127271    -0.0013997  0.0844601   75  GLU   B CA   
888  C C    . GLU   A 63  ? 0.852179 0.533885 1.08213  0.108978    -0.00539367 0.0657585   75  GLU   B C    
889  O O    . GLU   A 63  ? 0.759057 0.447855 0.966501 0.0922128   -0.00024119 0.0712902   75  GLU   B O    
890  C CB   . GLU   A 63  ? 1.07527  0.703971 1.27951  0.158065    -0.0230581  0.102318    75  GLU   B CB   
891  C CG   . GLU   A 63  ? 1.08131  0.735001 1.25214  0.154232    -0.033743   0.111218    75  GLU   B CG   
892  C CD   . GLU   A 63  ? 1.16653  0.794829 1.29018  0.175578    -0.0441321  0.139915    75  GLU   B CD   
893  O OE1  . GLU   A 63  ? 1.10674  0.761562 1.20737  0.17189     -0.0541019  0.140385    75  GLU   B OE1  
894  O OE2  . GLU   A 63  ? 1.25732  0.839465 1.36313  0.195527    -0.0419903  0.161336    75  GLU   B OE2  
895  H H    . GLU   A 63  ? 1.08796  0.683284 1.26105  0.111858    0.0135192   0.115068    75  GLU   B H    
896  H HA   . GLU   A 63  ? 1.01262  0.631926 1.25975  0.129359    0.00367519  0.0732188   75  GLU   B HA   
897  H HB2  . GLU   A 63  ? 1.05873  0.708243 1.28641  0.169886    -0.0336908  0.0907098   75  GLU   B HB2  
898  H HB3  . GLU   A 63  ? 1.11681  0.707249 1.30665  0.169762    -0.0195859  0.119219    75  GLU   B HB3  
899  H HG2  . GLU   A 63  ? 1.06098  0.717135 1.22592  0.133773    -0.0214983  0.108783    75  GLU   B HG2  
900  H HG3  . GLU   A 63  ? 1.05241  0.742118 1.23819  0.156064    -0.0461219  0.0977571   75  GLU   B HG3  
901  N N    . PRO   A 64  ? 0.742891 0.463034 1.0028   0.113446    -0.0142641  0.0447923   76  PRO   B N    
902  C CA   . PRO   A 64  ? 0.66619  0.430638 0.931742 0.0957186   -0.015027   0.0280487   76  PRO   B CA   
903  C C    . PRO   A 64  ? 0.617108 0.401505 0.855588 0.0966225   -0.0290263  0.0388633   76  PRO   B C    
904  O O    . PRO   A 64  ? 0.626833 0.39947  0.845356 0.115263    -0.0427503  0.0561866   76  PRO   B O    
905  C CB   . PRO   A 64  ? 0.647332 0.442858 0.951638 0.103998    -0.0193656  0.00739649  76  PRO   B CB   
906  C CG   . PRO   A 64  ? 0.694426 0.461975 1.0165   0.126744    -0.0204595  0.0109079   76  PRO   B CG   
907  C CD   . PRO   A 64  ? 0.746032 0.468549 1.03602  0.13678     -0.0226339  0.0375852   76  PRO   B CD   
908  H HA   . PRO   A 64  ? 0.651274 0.411783 0.914856 0.0787912   -0.00291346 0.0218752   76  PRO   B HA   
909  H HB2  . PRO   A 64  ? 0.634417 0.455766 0.941915 0.108978    -0.0312127  0.00657547  76  PRO   B HB2  
910  H HB3  . PRO   A 64  ? 0.626691 0.432677 0.940887 0.0905585   -0.009034   -0.00701455 76  PRO   B HB3  
911  H HG2  . PRO   A 64  ? 0.692646 0.480529 1.033    0.14122     -0.0313576  0.00708118  76  PRO   B HG2  
912  H HG3  . PRO   A 64  ? 0.696255 0.453855 1.03196  0.121122    -0.00838235 -0.00042142 76  PRO   B HG3  
913  H HD2  . PRO   A 64  ? 0.763165 0.48978  1.04646  0.153956    -0.0372703  0.0476533   76  PRO   B HD2  
914  H HD3  . PRO   A 64  ? 0.77673  0.468602 1.07213  0.14079     -0.0141329  0.0392749   76  PRO   B HD3  
915  N N    . PHE   A 65  ? 0.548384 0.359675 0.782406 0.0773099   -0.0253248  0.028405    77  PHE   B N    
916  C CA   . PHE   A 65  ? 0.546977 0.377379 0.757265 0.0767989   -0.0377868  0.0343116   77  PHE   B CA   
917  C C    . PHE   A 65  ? 0.542705 0.412723 0.779938 0.0788723   -0.049562   0.0175152   77  PHE   B C    
918  O O    . PHE   A 65  ? 0.468146 0.356427 0.732716 0.0684453   -0.0394792  -0.00022205 77  PHE   B O    
919  C CB   . PHE   A 65  ? 0.535228 0.368764 0.722879 0.0558875   -0.0266592  0.0345028   77  PHE   B CB   
920  C CG   . PHE   A 65  ? 0.531067 0.382338 0.693969 0.0566449   -0.0392761  0.0382922   77  PHE   B CG   
921  C CD1  . PHE   A 65  ? 0.596112 0.434027 0.729671 0.0730421   -0.052282   0.0552986   77  PHE   B CD1  
922  C CD2  . PHE   A 65  ? 0.501963 0.38041  0.668624 0.0426329   -0.0384709  0.0243049   77  PHE   B CD2  
923  C CE1  . PHE   A 65  ? 0.617553 0.470226 0.72681  0.0743085   -0.0648844  0.055624    77  PHE   B CE1  
924  C CE2  . PHE   A 65  ? 0.506093 0.396782 0.650669 0.0432179   -0.0499822  0.0259968   77  PHE   B CE2  
925  C CZ   . PHE   A 65  ? 0.572091 0.450401 0.68847  0.0586534   -0.0635285  0.0403938   77  PHE   B CZ   
926  H H    . PHE   A 65  ? 0.542213 0.358664 0.786768 0.0650193   -0.0151333  0.0169649   77  PHE   B H    
927  H HA   . PHE   A 65  ? 0.577407 0.393439 0.769513 0.0899264   -0.0463047  0.0486281   77  PHE   B HA   
928  H HB2  . PHE   A 65  ? 0.552088 0.362764 0.726465 0.0535333   -0.0182131  0.0450391   77  PHE   B HB2  
929  H HB3  . PHE   A 65  ? 0.51105  0.356988 0.713692 0.0444828   -0.0190055  0.0210019   77  PHE   B HB3  
930  H HD1  . PHE   A 65  ? 0.621817 0.438554 0.749589 0.083912    -0.05236    0.0665378   77  PHE   B HD1  
931  H HD2  . PHE   A 65  ? 0.485956 0.3723   0.668262 0.0330703   -0.0296561  0.0135613   77  PHE   B HD2  
932  H HE1  . PHE   A 65  ? 0.633147 0.475988 0.71878  0.0864268   -0.0740826  0.0663449   77  PHE   B HE1  
933  H HE2  . PHE   A 65  ? 0.491779 0.397132 0.638282 0.0337335   -0.0483578  0.017247    77  PHE   B HE2  
934  H HZ   . PHE   A 65  ? 0.564276 0.449847 0.664421 0.0595332   -0.0720197  0.0398165   77  PHE   B HZ   
935  N N    . VAL   A 66  ? 0.559452 0.440778 0.788206 0.0932133   -0.070545   0.0234144   78  VAL   B N    
936  C CA   . VAL   A 66  ? 0.543313 0.461693 0.806123 0.0983512   -0.0846731  0.00832669  78  VAL   B CA   
937  C C    . VAL   A 66  ? 0.499385 0.436571 0.743876 0.0934291   -0.0993977  0.00680602  78  VAL   B C    
938  O O    . VAL   A 66  ? 0.543171 0.464745 0.75071  0.103615    -0.111676   0.0207147   78  VAL   B O    
939  C CB   . VAL   A 66  ? 0.61487  0.532869 0.899277 0.124922    -0.100671   0.0115586   78  VAL   B CB   
940  C CG1  . VAL   A 66  ? 0.625416 0.588958 0.95399  0.129052    -0.115651   -0.00614579 78  VAL   B CG1  
941  C CG2  . VAL   A 66  ? 0.608295 0.501975 0.909928 0.131512    -0.085585   0.012496    78  VAL   B CG2  
942  H H    . VAL   A 66  ? 0.577428 0.443676 0.779255 0.0996534   -0.0759791  0.0364362   78  VAL   B H    
943  H HA   . VAL   A 66  ? 0.520476 0.452151 0.805717 0.0879964   -0.0737608  -0.00401855 78  VAL   B HA   
944  H HB   . VAL   A 66  ? 0.632624 0.535597 0.889925 0.136503    -0.111975   0.0248477   78  VAL   B HB   
945  H HG11 . VAL   A 66  ? 0.590856 0.57025  0.939205 0.114525    -0.103152   -0.0181998  78  VAL   B HG11 
946  H HG12 . VAL   A 66  ? 0.617668 0.591563 0.934049 0.13        -0.130179   -0.00526547 78  VAL   B HG12 
947  H HG13 . VAL   A 66  ? 0.632055 0.598422 0.981852 0.145541    -0.122894   -0.00664397 78  VAL   B HG13 
948  H HG21 . VAL   A 66  ? 0.632335 0.529168 0.951463 0.14945     -0.0960151  0.0128387   78  VAL   B HG21 
949  H HG22 . VAL   A 66  ? 0.632263 0.495643 0.90787  0.130458    -0.0783737  0.0249873   78  VAL   B HG22 
950  H HG23 . VAL   A 66  ? 0.592301 0.496876 0.913327 0.119296    -0.0725579  -0.00017866 78  VAL   B HG23 
951  N N    . PHE   A 67  ? 0.453131 0.420915 0.722139 0.0781835   -0.0965651  -0.010209   79  PHE   B N    
952  C CA   . PHE   A 67  ? 0.418695 0.402258 0.67468  0.0697363   -0.107823   -0.0151277  79  PHE   B CA   
953  C C    . PHE   A 67  ? 0.382448 0.402222 0.68367  0.0587294   -0.107665   -0.0346049  79  PHE   B C    
954  O O    . PHE   A 67  ? 0.36079  0.391939 0.695488 0.0534688   -0.0919005  -0.0435241  79  PHE   B O    
955  C CB   . PHE   A 67  ? 0.407441 0.373334 0.623354 0.0541257   -0.0936308  -0.00892639 79  PHE   B CB   
956  C CG   . PHE   A 67  ? 0.37277  0.347586 0.602604 0.0340517   -0.07227    -0.0199099  79  PHE   B CG   
957  C CD1  . PHE   A 67  ? 0.351749 0.31701  0.59122  0.030224    -0.0540548  -0.0210363  79  PHE   B CD1  
958  C CD2  . PHE   A 67  ? 0.355624 0.344862 0.584766 0.0199718   -0.0707201  -0.0290564  79  PHE   B CD2  
959  C CE1  . PHE   A 67  ? 0.329055 0.301675 0.574648 0.0147183   -0.0363843  -0.0313211  79  PHE   B CE1  
960  C CE2  . PHE   A 67  ? 0.325017 0.318776 0.560113 0.00453535  -0.0511028  -0.036724   79  PHE   B CE2  
961  C CZ   . PHE   A 67  ? 0.318496 0.305337 0.560513 0.00278465  -0.0346662  -0.0380226  79  PHE   B CZ   
962  H H    . PHE   A 67  ? 0.437701 0.414976 0.731981 0.0729155   -0.0861944  -0.0191461  79  PHE   B H    
963  H HA   . PHE   A 67  ? 0.441601 0.422968 0.684612 0.0824187   -0.125268   -0.0097297  79  PHE   B HA   
964  H HB2  . PHE   A 67  ? 0.410594 0.379134 0.609046 0.0537002   -0.103782   -0.00868947 79  PHE   B HB2  
965  H HB3  . PHE   A 67  ? 0.420493 0.365071 0.615897 0.0587782   -0.0886191  0.00256788  79  PHE   B HB3  
966  H HD1  . PHE   A 67  ? 0.369227 0.321499 0.609828 0.0390086   -0.0541338  -0.0151258  79  PHE   B HD1  
967  H HD2  . PHE   A 67  ? 0.358408 0.352696 0.581568 0.0216325   -0.0833405  -0.0301124  79  PHE   B HD2  
968  H HE1  . PHE   A 67  ? 0.330259 0.296415 0.58099  0.0129645   -0.0256484  -0.0338056  79  PHE   B HE1  
969  H HE2  . PHE   A 67  ? 0.319612 0.319853 0.552682 -0.00417159 -0.0493525  -0.0414548  79  PHE   B HE2  
970  H HZ   . PHE   A 67  ? 0.308294 0.29782  0.550297 -0.00618339 -0.0224235  -0.0434942  79  PHE   B HZ   
971  N N    . SER   A 68  ? 0.382605 0.418643 0.683464 0.055213    -0.124422   -0.0413839  80  SER   B N    
972  C CA   . SER   A 68  ? 0.386458 0.455302 0.730658 0.0418483   -0.124214   -0.0592044  80  SER   B CA   
973  C C    . SER   A 68  ? 0.347909 0.409173 0.67407  0.0190319   -0.104271   -0.0617885  80  SER   B C    
974  O O    . SER   A 68  ? 0.345519 0.387965 0.628856 0.0152167   -0.10753    -0.0554311  80  SER   B O    
975  C CB   . SER   A 68  ? 0.407327 0.497034 0.765205 0.0489348   -0.154269   -0.0677718  80  SER   B CB   
976  O OG   . SER   A 68  ? 0.442699 0.552576 0.8368   0.0692795   -0.171958   -0.0709525  80  SER   B OG   
977  H H    . SER   A 68  ? 0.403114 0.428144 0.675168 0.0610259   -0.135823   -0.0348237  80  SER   B H    
978  H HA   . SER   A 68  ? 0.37235  0.454809 0.750509 0.0434677   -0.116567   -0.0646508  80  SER   B HA   
979  H HB2  . SER   A 68  ? 0.426517 0.499653 0.746718 0.0535961   -0.16444    -0.0608872  80  SER   B HB2  
980  H HB3  . SER   A 68  ? 0.39992  0.505711 0.779055 0.0351373   -0.151671   -0.0787378  80  SER   B HB3  
982  N N    . LEU   A 69  ? 0.333279 0.407616 0.689101 0.00595144  -0.0826346  -0.0703947  81  LEU   B N    
983  C CA   . LEU   A 69  ? 0.344825 0.406731 0.676585 -0.011912   -0.0623912  -0.0699686  81  LEU   B CA   
984  C C    . LEU   A 69  ? 0.406265 0.474742 0.738956 -0.0242233  -0.0705025  -0.0769185  81  LEU   B C    
985  O O    . LEU   A 69  ? 0.388044 0.48121  0.760855 -0.025968   -0.0830254  -0.0881006  81  LEU   B O    
986  C CB   . LEU   A 69  ? 0.345634 0.415627 0.700531 -0.0195947  -0.0363595  -0.0759768  81  LEU   B CB   
987  C CG   . LEU   A 69  ? 0.355089 0.413384 0.685506 -0.0356571  -0.0139526  -0.075841   81  LEU   B CG   
988  C CD1  . LEU   A 69  ? 0.356003 0.3874   0.634598 -0.0363374  -0.0112751  -0.0657953  81  LEU   B CD1  
989  C CD2  . LEU   A 69  ? 0.361492 0.427644 0.711748 -0.0376959  0.00969414  -0.0820978  81  LEU   B CD2  
990  H H    . LEU   A 69  ? 0.335806 0.426445 0.725339 0.00935391  -0.0802068  -0.0762648  81  LEU   B H    
991  H HA   . LEU   A 69  ? 0.354975 0.396672 0.651619 -0.00952026 -0.0610894  -0.060982   81  LEU   B HA   
992  H HB2  . LEU   A 69  ? 0.34757  0.410262 0.699443 -0.0111708  -0.0332484  -0.0725606  81  LEU   B HB2  
993  H HB3  . LEU   A 69  ? 0.344857 0.436464 0.737612 -0.0204241  -0.0365596  -0.0842776  81  LEU   B HB3  
994  H HG   . LEU   A 69  ? 0.354931 0.419647 0.69312  -0.0446655  -0.0143314  -0.0796935  81  LEU   B HG   
995  H HD11 . LEU   A 69  ? 0.359365 0.384232 0.622175 -0.0330276  -0.0249268  -0.0612005  81  LEU   B HD11 
996  H HD12 . LEU   A 69  ? 0.353642 0.380472 0.619742 -0.0452327  0.00029115  -0.0666134  81  LEU   B HD12 
997  H HD13 . LEU   A 69  ? 0.355212 0.380174 0.628616 -0.0307089  -0.00726263 -0.06336    81  LEU   B HD13 
998  H HD21 . LEU   A 69  ? 0.358385 0.444    0.743427 -0.0400121  0.0128567   -0.0891854  81  LEU   B HD21 
999  H HD22 . LEU   A 69  ? 0.359435 0.420696 0.709012 -0.028522   0.00871447  -0.0806227  81  LEU   B HD22 
1000 H HD23 . LEU   A 69  ? 0.356559 0.41277  0.685058 -0.0452476  0.0228625   -0.080897   81  LEU   B HD23 
1001 N N    . GLY   A 70  ? 0.437971 0.483261 0.72631  -0.0317989  -0.064575   -0.0707524  82  GLY   B N    
1002 C CA   . GLY   A 70  ? 0.445214 0.486156 0.72446  -0.0439819  -0.0683324  -0.0761462  82  GLY   B CA   
1003 C C    . GLY   A 70  ? 0.495751 0.541144 0.773897 -0.03668    -0.0977196  -0.0812973  82  GLY   B C    
1004 O O    . GLY   A 70  ? 0.530379 0.583698 0.826827 -0.0473627  -0.105556   -0.0929558  82  GLY   B O    
1005 H H    . GLY   A 70  ? 0.42547  0.45644  0.688816 -0.0287858  -0.0578733  -0.063154   82  GLY   B H    
1006 H HA2  . GLY   A 70  ? 0.450698 0.473306 0.696448 -0.0466934  -0.0607376  -0.0701123  82  GLY   B HA2  
1007 H HA3  . GLY   A 70  ? 0.448162 0.500443 0.754727 -0.0546176  -0.058271   -0.0831767  82  GLY   B HA3  
1008 N N    . LYS   A 71  ? 0.491853 0.530934 0.747999 -0.0183756  -0.114424   -0.0733272  83  LYS   B N    
1009 C CA   . LYS   A 71  ? 0.502508 0.545761 0.752365 -0.00832859 -0.143899   -0.0787993  83  LYS   B CA   
1010 C C    . LYS   A 71  ? 0.554062 0.567465 0.740406 0.00095302  -0.147789   -0.0665411  83  LYS   B C    
1011 O O    . LYS   A 71  ? 0.570381 0.579193 0.733049 0.0162041   -0.170432   -0.0651643  83  LYS   B O    
1012 C CB   . LYS   A 71  ? 0.517432 0.583626 0.802646 0.00790529  -0.161084   -0.0811747  83  LYS   B CB   
1013 H H    . LYS   A 71  ? 0.489314 0.520448 0.733249 -0.0118629  -0.107493   -0.0645884  83  LYS   B H    
1014 H HA   . LYS   A 71  ? 0.515734 0.566406 0.781029 -0.0188191  -0.148266   -0.089813   83  LYS   B HA   
1017 N N    . GLY   A 72  ? 0.575509 0.570456 0.735093 -0.00729968 -0.124898   -0.0580137  84  GLY   B N    
1018 C CA   . GLY   A 72  ? 0.555848 0.526834 0.663481 0.00153288  -0.120459   -0.0437472  84  GLY   B CA   
1019 C C    . GLY   A 72  ? 0.582803 0.548041 0.671843 0.0217462   -0.134351   -0.0327578  84  GLY   B C    
1020 O O    . GLY   A 72  ? 0.541474 0.494738 0.593147 0.0331659   -0.148632   -0.029439   84  GLY   B O    
1021 H H    . GLY   A 72  ? 0.545605 0.544181 0.720732 -0.0187415  -0.111392   -0.0615923  84  GLY   B H    
1022 H HA2  . GLY   A 72  ? 0.549368 0.515857 0.654622 -0.00339187 -0.103423   -0.0382934  84  GLY   B HA2  
1023 H HA3  . GLY   A 72  ? 0.573417 0.535061 0.658775 -0.00057195 -0.124129   -0.0465108  84  GLY   B HA3  
1024 N N    . GLN   A 73  ? 0.554363 0.526019 0.667982 0.0277825   -0.130209   -0.0271891  85  GLN   B N    
1025 C CA   . GLN   A 73  ? 0.520024 0.475631 0.608791 0.0451952   -0.133144   -0.0108657  85  GLN   B CA   
1026 C C    . GLN   A 73  ? 0.505177 0.444081 0.575966 0.0383136   -0.108027   0.00103766  85  GLN   B C    
1027 O O    . GLN   A 73  ? 0.480923 0.401412 0.525616 0.0478403   -0.103448   0.0164434   85  GLN   B O    
1028 C CB   . GLN   A 73  ? 0.549558 0.517003 0.674056 0.056918    -0.142639   -0.0113992  85  GLN   B CB   
1029 C CG   . GLN   A 73  ? 0.582925 0.576167 0.738199 0.0616676   -0.167917   -0.0270239  85  GLN   B CG   
1030 C CD   . GLN   A 73  ? 0.590783 0.603373 0.793022 0.0723542   -0.175361   -0.0308193  85  GLN   B CD   
1031 O OE1  . GLN   A 73  ? 0.57481  0.576247 0.781853 0.0804271   -0.164242   -0.0202532  85  GLN   B OE1  
1032 N NE2  . GLN   A 73  ? 0.561901 0.60432  0.801469 0.0729545   -0.195561   -0.0474754  85  GLN   B NE2  
1033 H H    . GLN   A 73  ? 0.530471 0.51507  0.67634  0.0212552   -0.124518   -0.033458   85  GLN   B H    
1034 H HA   . GLN   A 73  ? 0.556751 0.504075 0.616234 0.0541318   -0.145107   -0.00771978 85  GLN   B HA   
1035 H HB2  . GLN   A 73  ? 0.530609 0.503262 0.679788 0.0494565   -0.128886   -0.0136331  85  GLN   B HB2  
1036 H HB3  . GLN   A 73  ? 0.570338 0.523044 0.674241 0.0697778   -0.145418   0.00072953  85  GLN   B HB3  
1037 H HG2  . GLN   A 73  ? 0.602662 0.589685 0.731518 0.0721076   -0.184117   -0.0249312  85  GLN   B HG2  
1038 H HG3  . GLN   A 73  ? 0.562578 0.56715  0.734002 0.0476936   -0.164528   -0.0382091  85  GLN   B HG3  
1039 H HE21 . GLN   A 73  ? 0.5823   0.635548 0.839575 0.0857094   -0.208789   -0.0488219  85  GLN   B HE21 
1040 H HE22 . GLN   A 73  ? 0.560919 0.612689 0.809239 0.0606389   -0.196025   -0.057554   85  GLN   B HE22 
1041 N N    . VAL   A 74  ? 0.488197 0.433556 0.572491 0.0214263   -0.0915144  -0.0063767  86  VAL   B N    
1042 C CA   . VAL   A 74  ? 0.444238 0.378765 0.512757 0.0143919   -0.0713847  0.00107607  86  VAL   B CA   
1043 C C    . VAL   A 74  ? 0.397055 0.33039  0.444481 0.00509403  -0.0655995  -0.00329753 86  VAL   B C    
1044 O O    . VAL   A 74  ? 0.43585  0.373381 0.482715 0.00265609  -0.0755774  -0.0122329  86  VAL   B O    
1045 C CB   . VAL   A 74  ? 0.436164 0.378296 0.539022 0.00676496  -0.0576991  -0.00402902 86  VAL   B CB   
1046 C CG1  . VAL   A 74  ? 0.446507 0.382079 0.563479 0.0181896   -0.0608093  0.00287911  86  VAL   B CG1  
1047 C CG2  . VAL   A 74  ? 0.414653 0.37542  0.548488 -0.00303325 -0.0562782  -0.0190866  86  VAL   B CG2  
1048 H H    . VAL   A 74  ? 0.468331 0.425623 0.572479 0.01445     -0.0931586  -0.0165069  86  VAL   B H    
1049 H HA   . VAL   A 74  ? 0.45873  0.381405 0.508521 0.0216799   -0.0705347  0.0117704   86  VAL   B HA   
1050 H HB   . VAL   A 74  ? 0.424002 0.361264 0.517476 0.00093981  -0.0458853  -0.00171168 86  VAL   B HB   
1051 H HG11 . VAL   A 74  ? 0.456295 0.39833  0.583276 0.0257909   -0.0738449  0.00055922  86  VAL   B HG11 
1052 H HG12 . VAL   A 74  ? 0.461543 0.382832 0.557614 0.0230423   -0.0588962  0.0137361   86  VAL   B HG12 
1053 H HG13 . VAL   A 74  ? 0.437657 0.37603  0.574448 0.0137378   -0.0514696  -0.00136687 86  VAL   B HG13 
1054 H HG21 . VAL   A 74  ? 0.404962 0.3684   0.552255 -0.00803059 -0.044717   -0.0221143  86  VAL   B HG21 
1055 H HG22 . VAL   A 74  ? 0.412627 0.373451 0.534521 -0.00890829 -0.0558164  -0.0220731  86  VAL   B HG22 
1056 H HG23 . VAL   A 74  ? 0.421191 0.390673 0.573321 0.0019557   -0.0668411  -0.0228022  86  VAL   B HG23 
1057 N N    . ILE   A 75  ? 0.356026 0.283651 0.389188 0.00024503  -0.0498761  0.00223048  87  ILE   B N    
1058 C CA   . ILE   A 75  ? 0.351932 0.279184 0.368631 -0.00684211 -0.0423173  -0.00161384 87  ILE   B CA   
1059 C C    . ILE   A 75  ? 0.302971 0.23955  0.34358  -0.0177326  -0.0375962  -0.0132255  87  ILE   B C    
1060 O O    . ILE   A 75  ? 0.270693 0.215683 0.340208 -0.0206704  -0.0338277  -0.0169666  87  ILE   B O    
1061 C CB   . ILE   A 75  ? 0.359233 0.284369 0.363341 -0.00843063 -0.0278701  0.00554897  87  ILE   B CB   
1062 C CG1  . ILE   A 75  ? 0.349299 0.279413 0.379577 -0.0140973  -0.0180586  0.00474414  87  ILE   B CG1  
1063 C CG2  . ILE   A 75  ? 0.388866 0.30428  0.364922 0.00132076  -0.0280465  0.0180168   87  ILE   B CG2  
1064 C CD1  . ILE   A 75  ? 0.345526 0.278505 0.371604 -0.0185797  -0.00569112 0.00713229  87  ILE   B CD1  
1065 H H    . ILE   A 75  ? 0.367261 0.290933 0.401885 0.00207339  -0.044092   0.00863479  87  ILE   B H    
1066 H HA   . ILE   A 75  ? 0.358181 0.280351 0.356494 -0.00285431 -0.0497802  -0.00180226 87  ILE   B HA   
1067 H HB   . ILE   A 75  ? 0.352523 0.279401 0.349244 -0.0120879  -0.0239555  0.00168842  87  ILE   B HB   
1068 H HG12 . ILE   A 75  ? 0.35751  0.283091 0.394382 -0.00967422 -0.0210311  0.00956102  87  ILE   B HG12 
1069 H HG13 . ILE   A 75  ? 0.338858 0.274831 0.384336 -0.0189255  -0.0170808  -0.00315666 87  ILE   B HG13 
1070 H HG21 . ILE   A 75  ? 0.38204  0.29956  0.352879 -0.00086085 -0.0186005  0.0207459   87  ILE   B HG21 
1071 H HG22 . ILE   A 75  ? 0.394934 0.306046 0.375978 0.00525176  -0.0295179  0.0239967   87  ILE   B HG22 
1072 H HG23 . ILE   A 75  ? 0.397295 0.308279 0.355372 0.00630369  -0.035653   0.0170901   87  ILE   B HG23 
1073 H HD11 . ILE   A 75  ? 0.339857 0.276786 0.355673 -0.0202041  -0.00408411 0.00369258  87  ILE   B HD11 
1074 H HD12 . ILE   A 75  ? 0.338355 0.274332 0.381978 -0.0232187  -0.00098527 0.00313579  87  ILE   B HD12 
1075 H HD13 . ILE   A 75  ? 0.355369 0.283358 0.371956 -0.0148306  -0.00395423 0.0156165   87  ILE   B HD13 
1076 N N    . LYS   A 76  ? 0.275316 0.20733  0.300723 -0.0220754  -0.0368583  -0.0178137  88  LYS   B N    
1077 C CA   . LYS   A 76  ? 0.282579 0.217412 0.322979 -0.0323982  -0.0311624  -0.0267313  88  LYS   B CA   
1078 C C    . LYS   A 76  ? 0.281579 0.223066 0.334423 -0.03779    -0.0153974  -0.0278096  88  LYS   B C    
1079 O O    . LYS   A 76  ? 0.274429 0.222304 0.349196 -0.0448996  -0.00852619 -0.034283   88  LYS   B O    
1080 C CB   . LYS   A 76  ? 0.277587 0.198111 0.291161 -0.0340839  -0.0312213  -0.0283936  88  LYS   B CB   
1081 H H    . LYS   A 76  ? 0.293983 0.218826 0.296927 -0.017868   -0.0388951  -0.0144722  88  LYS   B H    
1082 H HA   . LYS   A 76  ? 0.28052  0.221589 0.341368 -0.03415    -0.0377893  -0.0316546  88  LYS   B HA   
1085 N N    . ALA   A 77  ? 0.277501 0.218564 0.317577 -0.0343644  -0.00962477 -0.0225605  89  ALA   B N    
1086 C CA   . ALA   A 77  ? 0.282324 0.229001 0.329408 -0.0383911  0.00237834  -0.0261838  89  ALA   B CA   
1087 C C    . ALA   A 77  ? 0.294784 0.249218 0.373066 -0.0396611  0.00437785  -0.0306648  89  ALA   B C    
1088 O O    . ALA   A 77  ? 0.277124 0.236135 0.365147 -0.0433151  0.0144799   -0.0373152  89  ALA   B O    
1089 C CB   . ALA   A 77  ? 0.283869 0.231328 0.316452 -0.0352078  0.00487489  -0.0218807  89  ALA   B CB   
1090 H H    . ALA   A 77  ? 0.284045 0.221655 0.310707 -0.0294851  -0.0132465  -0.0173435  89  ALA   B H    
1091 H HA   . ALA   A 77  ? 0.285659 0.230368 0.326897 -0.0418529  0.00786831  -0.0292513  89  ALA   B HA   
1092 H HB1  . ALA   A 77  ? 0.287057 0.231161 0.30084  -0.0330238  0.00433772  -0.0196036  89  ALA   B HB1  
1093 H HB2  . ALA   A 77  ? 0.283919 0.230847 0.320914 -0.0324575  0.00139449  -0.01746    89  ALA   B HB2  
1094 H HB3  . ALA   A 77  ? 0.279735 0.231632 0.317658 -0.0377119  0.0107825   -0.0261192  89  ALA   B HB3  
1095 N N    . TRP   A 78  ? 0.301151 0.255293 0.391175 -0.0341869  -0.00528857 -0.0265991  90  TRP   B N    
1096 C CA   . TRP   A 78  ? 0.31357  0.273064 0.43327  -0.0324733  -0.0039528  -0.0303534  90  TRP   B CA   
1097 C C    . TRP   A 78  ? 0.318256 0.289191 0.463943 -0.0353992  -0.00427693 -0.0385989  90  TRP   B C    
1098 O O    . TRP   A 78  ? 0.33192  0.310729 0.500369 -0.0374403  0.00547968  -0.0460895  90  TRP   B O    
1099 C CB   . TRP   A 78  ? 0.333136 0.285717 0.45536  -0.0231153  -0.0136796  -0.0215606  90  TRP   B CB   
1100 C CG   . TRP   A 78  ? 0.316843 0.259974 0.435712 -0.0227459  -0.0064439  -0.0165349  90  TRP   B CG   
1101 C CD1  . TRP   A 78  ? 0.310708 0.251087 0.4127   -0.0275784  0.0007556   -0.014198   90  TRP   B CD1  
1102 C CD2  . TRP   A 78  ? 0.298263 0.232999 0.43538  -0.0172567  -0.00613079 -0.0137909  90  TRP   B CD2  
1103 N NE1  . TRP   A 78  ? 0.293692 0.225479 0.404922 -0.0281229  0.00607506  -0.011014   90  TRP   B NE1  
1104 C CE2  . TRP   A 78  ? 0.312468 0.23731  0.442982 -0.0216854  0.00259309  -0.0100111  90  TRP   B CE2  
1105 C CE3  . TRP   A 78  ? 0.290247 0.224681 0.449678 -0.00818674 -0.012941   -0.0141297  90  TRP   B CE3  
1106 C CZ2  . TRP   A 78  ? 0.321596 0.231157 0.465743 -0.0190285  0.00634175  -0.00607756 90  TRP   B CZ2  
1107 C CZ3  . TRP   A 78  ? 0.317258 0.236024 0.486313 -0.00229884 -0.010346   -0.00889225 90  TRP   B CZ3  
1108 C CH2  . TRP   A 78  ? 0.327063 0.231211 0.488082 -0.00859026 0.00012018  -0.00486225 90  TRP   B CH2  
1109 H H    . TRP   A 78  ? 0.308466 0.258126 0.386602 -0.0302381  -0.0124865  -0.0214744  90  TRP   B H    
1110 H HA   . TRP   A 78  ? 0.310219 0.269962 0.432062 -0.0350436  0.0045619   -0.0336928  90  TRP   B HA   
1111 H HB2  . TRP   A 78  ? 0.331632 0.280435 0.437688 -0.0198908  -0.0211638  -0.0163384  90  TRP   B HB2  
1112 H HB3  . TRP   A 78  ? 0.328218 0.285487 0.470766 -0.0196774  -0.0177368  -0.0243077  90  TRP   B HB3  
1113 H HD1  . TRP   A 78  ? 0.300787 0.24464  0.388388 -0.0301178  0.00194345  -0.015038   90  TRP   B HD1  
1114 H HE1  . TRP   A 78  ? 0.302777 0.233843 0.410148 -0.0319086  0.0108356   -0.0103031  90  TRP   B HE1  
1115 H HE3  . TRP   A 78  ? 0.294264 0.23849  0.462667 -0.00574208 -0.0194959  -0.0176981  90  TRP   B HE3  
1116 H HZ2  . TRP   A 78  ? 0.326544 0.229478 0.469473 -0.0238731  0.0126898   -0.00432463 90  TRP   B HZ2  
1117 H HZ3  . TRP   A 78  ? 0.323514 0.241577 0.507824 0.00568772  -0.0151608  -0.00912074 90  TRP   B HZ3  
1118 H HH2  . TRP   A 78  ? 0.341556 0.232263 0.510877 -0.00550204 0.00278416  -0.00171191 90  TRP   B HH2  
1119 N N    . ASP   A 79  ? 0.322837 0.295058 0.465782 -0.0360095  -0.0146613  -0.038425   91  ASP   B N    
1120 C CA   . ASP   A 79  ? 0.301167 0.286275 0.472723 -0.0422194  -0.0143001  -0.0473183  91  ASP   B CA   
1121 C C    . ASP   A 79  ? 0.283726 0.268939 0.454161 -0.0518781  0.00569273  -0.0517356  91  ASP   B C    
1122 O O    . ASP   A 79  ? 0.290494 0.28827  0.49023  -0.0553387  0.0154895   -0.0585935  91  ASP   B O    
1123 C CB   . ASP   A 79  ? 0.302763 0.286149 0.468727 -0.0439875  -0.0285596  -0.048814   91  ASP   B CB   
1124 C CG   . ASP   A 79  ? 0.316297 0.306159 0.493409 -0.0328514  -0.0497629  -0.0482201  91  ASP   B CG   
1125 O OD1  . ASP   A 79  ? 0.309881 0.309207 0.511129 -0.0258732  -0.0506077  -0.0482115  91  ASP   B OD1  
1126 O OD2  . ASP   A 79  ? 0.363014 0.346501 0.521593 -0.0295101  -0.0652608  -0.047924   91  ASP   B OD2  
1127 H H    . ASP   A 79  ? 0.322479 0.287695 0.446624 -0.0328374  -0.0218416  -0.0334196  91  ASP   B H    
1128 H HA   . ASP   A 79  ? 0.300312 0.295208 0.496906 -0.0383413  -0.0171293  -0.0501231  91  ASP   B HA   
1129 H HB2  . ASP   A 79  ? 0.309606 0.280591 0.446817 -0.0438789  -0.0287442  -0.0444941  91  ASP   B HB2  
1130 H HB3  . ASP   A 79  ? 0.306234 0.295928 0.489223 -0.0519373  -0.0240981  -0.0550423  91  ASP   B HB3  
1131 N N    . ILE   A 80  ? 0.283813 0.255446 0.419174 -0.053872   0.0123282   -0.0473691  92  ILE   B N    
1132 C CA   . ILE   A 80  ? 0.298698 0.267136 0.424985 -0.0603078  0.0304447   -0.050026   92  ILE   B CA   
1133 C C    . ILE   A 80  ? 0.298008 0.272702 0.431898 -0.0574323  0.0409413   -0.0546116  92  ILE   B C    
1134 O O    . ILE   A 80  ? 0.277864 0.258233 0.424187 -0.0610358  0.0557885   -0.0603867  92  ILE   B O    
1135 C CB   . ILE   A 80  ? 0.306861 0.258484 0.391423 -0.059948   0.0319606   -0.043998   92  ILE   B CB   
1136 C CG1  . ILE   A 80  ? 0.287927 0.229291 0.366281 -0.0639921  0.0252631   -0.0424403  92  ILE   B CG1  
1137 C CG2  . ILE   A 80  ? 0.318902 0.264507 0.383849 -0.061743   0.0492735   -0.0447309  92  ILE   B CG2  
1138 C CD1  . ILE   A 80  ? 0.293128 0.217885 0.331696 -0.0585179  0.0210851   -0.0361208  92  ILE   B CD1  
1139 H H    . ILE   A 80  ? 0.288051 0.252419 0.403926 -0.0502165  0.00585194  -0.0424581  92  ILE   B H    
1140 H HA   . ILE   A 80  ? 0.301245 0.273905 0.444203 -0.0660723  0.0350016   -0.0533612  92  ILE   B HA   
1141 H HB   . ILE   A 80  ? 0.296305 0.24661  0.368812 -0.0545565  0.0255271   -0.0408289  92  ILE   B HB   
1142 H HG12 . ILE   A 80  ? 0.301787 0.240933 0.387457 -0.0708287  0.0345862   -0.0446116  92  ILE   B HG12 
1143 H HG13 . ILE   A 80  ? 0.289991 0.237509 0.384458 -0.0631022  0.0143897   -0.0441892  92  ILE   B HG13 
1144 H HG21 . ILE   A 80  ? 0.326536 0.261049 0.366474 -0.0602957  0.0492142   -0.0405695  92  ILE   B HG21 
1145 H HG22 . ILE   A 80  ? 0.325781 0.273302 0.40418  -0.0671261  0.0587216   -0.0473714  92  ILE   B HG22 
1146 H HG23 . ILE   A 80  ? 0.314704 0.265114 0.377954 -0.0582472  0.0510414   -0.0469322  92  ILE   B HG23 
1147 H HD11 . ILE   A 80  ? 0.287001 0.215308 0.319562 -0.0523664  0.014255    -0.033638   92  ILE   B HD11 
1148 H HD12 . ILE   A 80  ? 0.302786 0.219385 0.3383   -0.0606677  0.015973    -0.0365615  92  ILE   B HD12 
1149 H HD13 . ILE   A 80  ? 0.300843 0.219266 0.322846 -0.0583185  0.0304984   -0.0343988  92  ILE   B HD13 
1150 N N    . GLY   A 81  ? 0.286774 0.259087 0.412852 -0.0513468  0.0346675   -0.0527287  93  GLY   B N    
1151 C CA   . GLY   A 81  ? 0.299724 0.272967 0.424514 -0.0498805  0.0441366   -0.0592272  93  GLY   B CA   
1152 C C    . GLY   A 81  ? 0.284143 0.266094 0.444108 -0.0473719  0.0481987   -0.0666012  93  GLY   B C    
1153 O O    . GLY   A 81  ? 0.267614 0.253708 0.434518 -0.0477605  0.0619087   -0.0753827  93  GLY   B O    
1154 H H    . GLY   A 81  ? 0.288024 0.257405 0.409392 -0.0484314  0.0250144   -0.0479078  93  GLY   B H    
1155 H HA2  . GLY   A 81  ? 0.300579 0.271847 0.410327 -0.0520094  0.0530609   -0.0614498  93  GLY   B HA2  
1156 H HA3  . GLY   A 81  ? 0.291615 0.261136 0.40667  -0.0476713  0.0391296   -0.057157   93  GLY   B HA3  
1157 N N    . VAL   A 82  ? 0.298449 0.282736 0.479156 -0.0427073  0.0357523   -0.0625669  94  VAL   B N    
1158 C CA   . VAL   A 82  ? 0.301096 0.29347  0.517068 -0.0369493  0.0369172   -0.0685178  94  VAL   B CA   
1159 C C    . VAL   A 82  ? 0.281622 0.289863 0.521231 -0.0408904  0.0491691   -0.0764193  94  VAL   B C    
1160 O O    . VAL   A 82  ? 0.278202 0.292804 0.536483 -0.0378894  0.0610591   -0.0853037  94  VAL   B O    
1161 C CB   . VAL   A 82  ? 0.299056 0.290814 0.530107 -0.0283961  0.0195861   -0.0613131  94  VAL   B CB   
1162 C CG1  . VAL   A 82  ? 0.298402 0.301068 0.569434 -0.0195888  0.0193058   -0.0676145  94  VAL   B CG1  
1163 C CG2  . VAL   A 82  ? 0.314964 0.28854  0.524302 -0.0250994  0.0143248   -0.0529066  94  VAL   B CG2  
1164 H H    . VAL   A 82  ? 0.292067 0.272459 0.463672 -0.0416809  0.0264214   -0.056064   94  VAL   B H    
1165 H HA   . VAL   A 82  ? 0.300201 0.287311 0.514238 -0.0351701  0.0421409   -0.0725896  94  VAL   B HA   
1166 H HB   . VAL   A 82  ? 0.298567 0.294121 0.52656  -0.0301268  0.0122102   -0.0580051  94  VAL   B HB   
1167 H HG11 . VAL   A 82  ? 0.303348 0.303333 0.578283 -0.0190404  0.0295238   -0.0736424  94  VAL   B HG11 
1168 H HG12 . VAL   A 82  ? 0.296907 0.314317 0.586358 -0.0215678  0.0199389   -0.0716069  94  VAL   B HG12 
1169 H HG13 . VAL   A 82  ? 0.305251 0.302581 0.579583 -0.0118353  0.00840306  -0.0619107  94  VAL   B HG13 
1170 H HG21 . VAL   A 82  ? 0.316879 0.287057 0.531868 -0.0183275  0.00480196  -0.046919   94  VAL   B HG21 
1171 H HG22 . VAL   A 82  ? 0.308565 0.278379 0.495611 -0.0293941  0.0137306   -0.0489971  94  VAL   B HG22 
1172 H HG23 . VAL   A 82  ? 0.31499  0.283807 0.527424 -0.0251834  0.0215114   -0.0576522  94  VAL   B HG23 
1173 N N    . ALA   A 83  ? 0.281629 0.295303 0.521546 -0.0479446  0.047515    -0.0736621  95  ALA   B N    
1174 C CA   . ALA   A 83  ? 0.290735 0.319395 0.556544 -0.0546011  0.0621896   -0.0802429  95  ALA   B CA   
1175 C C    . ALA   A 83  ? 0.297073 0.321373 0.545948 -0.0573451  0.0863332   -0.0851015  95  ALA   B C    
1176 O O    . ALA   A 83  ? 0.29447  0.332404 0.568933 -0.0606432  0.102725    -0.0910108  95  ALA   B O    
1177 C CB   . ALA   A 83  ? 0.285251 0.314478 0.550752 -0.0642292  0.0571832   -0.0767602  95  ALA   B CB   
1178 H H    . ALA   A 83  ? 0.280522 0.287981 0.505406 -0.0489856  0.0381264   -0.0679781  95  ALA   B H    
1179 H HA   . ALA   A 83  ? 0.286743 0.328869 0.58475  -0.0501003  0.0597033   -0.0847295  95  ALA   B HA   
1180 H HB1  . ALA   A 83  ? 0.283407 0.313555 0.552997 -0.0610145  0.0406287   -0.0744713  95  ALA   B HB1  
1181 H HB2  . ALA   A 83  ? 0.292061 0.307579 0.527178 -0.0680126  0.0619599   -0.0725656  95  ALA   B HB2  
1182 H HB3  . ALA   A 83  ? 0.290473 0.332155 0.581995 -0.0695447  0.065891    -0.0814272  95  ALA   B HB3  
1183 N N    . THR   A 84  ? 0.292991 0.300864 0.501015 -0.0552843  0.0890457   -0.0837104  96  THR   B N    
1184 C CA   . THR   A 84  ? 0.310224 0.313721 0.497074 -0.0550574  0.109366    -0.089723   96  THR   B CA   
1185 C C    . THR   A 84  ? 0.331583 0.337796 0.529945 -0.0467295  0.114015    -0.101313   96  THR   B C    
1186 O O    . THR   A 84  ? 0.37679  0.379375 0.555726 -0.0445948  0.130091    -0.108834   96  THR   B O    
1187 C CB   . THR   A 84  ? 0.318686 0.305167 0.454501 -0.0550656  0.10787     -0.0850815  96  THR   B CB   
1188 O OG1  . THR   A 84  ? 0.308055 0.28995  0.435092 -0.0500301  0.0930904   -0.0870277  96  THR   B OG1  
1189 C CG2  . THR   A 84  ? 0.303764 0.281417 0.421066 -0.0607456  0.10275     -0.0738289  96  THR   B CG2  
1190 H H    . THR   A 84  ? 0.289928 0.29     0.482487 -0.0535816  0.0778308   -0.0793256  96  THR   B H    
1191 H HA   . THR   A 84  ? 0.320702 0.329715 0.516937 -0.0594979  0.122213    -0.0900586  96  THR   B HA   
1192 H HB   . THR   A 84  ? 0.332378 0.315911 0.451797 -0.0539835  0.121321    -0.0888436  96  THR   B HB   
1194 H HG21 . THR   A 84  ? 0.316498 0.284429 0.402032 -0.0586823  0.103087    -0.071459   96  THR   B HG21 
1195 H HG22 . THR   A 84  ? 0.294555 0.273811 0.422128 -0.0607473  0.0889949   -0.0705886  96  THR   B HG22 
1196 H HG23 . THR   A 84  ? 0.315098 0.294505 0.441809 -0.0659179  0.113085    -0.0725894  96  THR   B HG23 
1197 N N    . MET   A 85  ? 0.340159 0.349161 0.565423 -0.0407716  0.100495    -0.102951   97  MET   B N    
1198 C CA   . MET   A 85  ? 0.358679 0.362589 0.591525 -0.0326505  0.102683    -0.113721   97  MET   B CA   
1199 C C    . MET   A 85  ? 0.408642 0.427388 0.682645 -0.0256796  0.114444    -0.123156   97  MET   B C    
1200 O O    . MET   A 85  ? 0.395681 0.432659 0.702217 -0.0268474  0.11513     -0.120201   97  MET   B O    
1201 C CB   . MET   A 85  ? 0.329398 0.32185  0.566349 -0.0289988  0.0836378   -0.108549   97  MET   B CB   
1202 C CG   . MET   A 85  ? 0.342374 0.32347  0.545    -0.0346842  0.0735228   -0.100702   97  MET   B CG   
1203 S SD   . MET   A 85  ? 0.330413 0.296998 0.538212 -0.0319953  0.0569782   -0.0926306  97  MET   B SD   
1204 C CE   . MET   A 85  ? 0.371291 0.325053 0.597284 -0.0262549  0.0627411   -0.106567   97  MET   B CE   
1205 H H    . MET   A 85  ? 0.32642  0.338601 0.564451 -0.0412102  0.0893944   -0.0971367  97  MET   B H    
1206 H HA   . MET   A 85  ? 0.370297 0.367197 0.578094 -0.0332026  0.109697    -0.11903    97  MET   B HA   
1207 H HB2  . MET   A 85  ? 0.330706 0.329134 0.58832  -0.0266385  0.075884    -0.102983   97  MET   B HB2  
1208 H HB3  . MET   A 85  ? 0.347996 0.334351 0.591536 -0.024305   0.0860857   -0.116182   97  MET   B HB3  
1209 H HG2  . MET   A 85  ? 0.343955 0.321217 0.527045 -0.0361847  0.0792884   -0.106995   97  MET   B HG2  
1210 H HG3  . MET   A 85  ? 0.32867  0.313761 0.523756 -0.0382919  0.0711711   -0.0935533  97  MET   B HG3  
1211 H HE1  . MET   A 85  ? 0.368316 0.311464 0.600842 -0.0245434  0.0559468   -0.100927   97  MET   B HE1  
1212 H HE2  . MET   A 85  ? 0.36909  0.328725 0.613045 -0.0210228  0.0683304   -0.111543   97  MET   B HE2  
1213 H HE3  . MET   A 85  ? 0.372724 0.323374 0.583966 -0.0295819  0.0672347   -0.115226   97  MET   B HE3  
1214 N N    . LYS   A 86  ? 0.433549 0.445197 0.708783 -0.0177756  0.122627    -0.136226   98  LYS   B N    
1215 C CA   . LYS   A 86  ? 0.455687 0.47911  0.769512 -0.00765643 0.133402    -0.146668   98  LYS   B CA   
1216 C C    . LYS   A 86  ? 0.436699 0.447459 0.770674 0.002917    0.119006    -0.148306   98  LYS   B C    
1217 O O    . LYS   A 86  ? 0.407048 0.395928 0.71919  0.00103934  0.107475    -0.145794   98  LYS   B O    
1218 C CB   . LYS   A 86  ? 0.521437 0.543011 0.816992 -0.00466175 0.15705     -0.161516   98  LYS   B CB   
1219 C CG   . LYS   A 86  ? 0.579094 0.608741 0.851299 -0.0136474  0.174144    -0.156893   98  LYS   B CG   
1220 C CD   . LYS   A 86  ? 0.677935 0.697931 0.910752 -0.0099309  0.194486    -0.168848   98  LYS   B CD   
1221 C CE   . LYS   A 86  ? 0.728751 0.751605 0.933705 -0.0175606  0.213016    -0.160471   98  LYS   B CE   
1222 N NZ   . LYS   A 86  ? 0.776148 0.800529 0.966576 -0.0102978  0.241972    -0.172092   98  LYS   B NZ   
1223 H H    . LYS   A 86  ? 0.439593 0.438564 0.690845 -0.0183969  0.12101     -0.139652   98  LYS   B H    
1224 H HA   . LYS   A 86  ? 0.447048 0.487817 0.785991 -0.00885826 0.135265    -0.14295    98  LYS   B HA   
1225 H HB2  . LYS   A 86  ? 0.532478 0.537839 0.803562 -0.00366106 0.153529    -0.16714    98  LYS   B HB2  
1226 H HB3  . LYS   A 86  ? 0.530683 0.560684 0.853104 0.00312294  0.165369    -0.169097   98  LYS   B HB3  
1227 H HG2  . LYS   A 86  ? 0.57599  0.622757 0.877442 -0.0148041  0.182152    -0.154895   98  LYS   B HG2  
1228 H HG3  . LYS   A 86  ? 0.568627 0.592444 0.821799 -0.0205608  0.16411     -0.14743    98  LYS   B HG3  
1229 H HD2  . LYS   A 86  ? 0.675469 0.680526 0.88164  -0.00904576 0.184676    -0.172579   98  LYS   B HD2  
1230 H HD3  . LYS   A 86  ? 0.68317  0.708579 0.933976 -0.0023877  0.205683    -0.179022   98  LYS   B HD3  
1231 H HE2  . LYS   A 86  ? 0.707398 0.742503 0.937887 -0.0235506  0.214512    -0.152212   98  LYS   B HE2  
1232 H HE3  . LYS   A 86  ? 0.723891 0.734388 0.893923 -0.0207237  0.205165    -0.15571    98  LYS   B HE3  
1233 H HZ1  . LYS   A 86  ? 0.770561 0.80909  0.995915 -0.00768452 0.251333    -0.175708   98  LYS   B HZ1  
1234 H HZ2  . LYS   A 86  ? 0.786546 0.80005  0.955936 -0.00391137 0.239244    -0.182079   98  LYS   B HZ2  
1235 H HZ3  . LYS   A 86  ? 0.785564 0.807231 0.952487 -0.0142467  0.253805    -0.165954   98  LYS   B HZ3  
1236 N N    . LYS   A 87  ? 0.437673 0.462982 0.816002 0.0142879   0.120497    -0.151849   99  LYS   B N    
1237 C CA   . LYS   A 87  ? 0.442324 0.452988 0.84121  0.0283016   0.11051     -0.15389    99  LYS   B CA   
1238 C C    . LYS   A 87  ? 0.435166 0.419102 0.808197 0.0292423   0.118791    -0.167241   99  LYS   B C    
1239 O O    . LYS   A 87  ? 0.435957 0.424684 0.801952 0.0307409   0.13781     -0.182198   99  LYS   B O    
1240 C CB   . LYS   A 87  ? 0.460309 0.492291 0.90957  0.0439208   0.116327    -0.161171   99  LYS   B CB   
1241 C CG   . LYS   A 87  ? 0.497312 0.510836 0.966689 0.0614974   0.104101    -0.160448   99  LYS   B CG   
1242 C CD   . LYS   A 87  ? 0.516099 0.555783 1.03824  0.0795049   0.109525    -0.168639   99  LYS   B CD   
1243 C CE   . LYS   A 87  ? 0.532605 0.559272 1.07675  0.0987904   0.0905002   -0.161114   99  LYS   B CE   
1244 N NZ   . LYS   A 87  ? 0.550936 0.60872  1.14952  0.117739    0.0944331   -0.169984   99  LYS   B NZ   
1245 H H    . LYS   A 87  ? 0.433098 0.478044 0.830557 0.0136514   0.128303    -0.152879   99  LYS   B H    
1246 H HA   . LYS   A 87  ? 0.431138 0.433541 0.826259 0.0275807   0.0949368   -0.142787   99  LYS   B HA   
1247 H HB2  . LYS   A 87  ? 0.448694 0.502276 0.917336 0.0418594   0.111943    -0.155475   99  LYS   B HB2  
1248 H HB3  . LYS   A 87  ? 0.472694 0.510693 0.923882 0.0453781   0.133612    -0.172602   99  LYS   B HB3  
1249 H HG2  . LYS   A 87  ? 0.510271 0.500618 0.962623 0.0624403   0.108799    -0.167162   99  LYS   B HG2  
1250 H HG3  . LYS   A 87  ? 0.487181 0.493909 0.952107 0.0610123   0.0879197   -0.147987   99  LYS   B HG3  
1251 H HD2  . LYS   A 87  ? 0.499178 0.566922 1.03957  0.0750847   0.110416    -0.166676   99  LYS   B HD2  
1252 H HD3  . LYS   A 87  ? 0.528921 0.567077 1.05322  0.0835725   0.125716    -0.181562   99  LYS   B HD3  
1253 H HE2  . LYS   A 87  ? 0.55224  0.549084 1.08089  0.102736    0.09146     -0.163237   99  LYS   B HE2  
1254 H HE3  . LYS   A 87  ? 0.522856 0.54939  1.06066  0.09587     0.0745354   -0.148298   99  LYS   B HE3  
1255 H HZ1  . LYS   A 87  ? 0.558307 0.616632 1.16192  0.120892    0.110801    -0.182164   99  LYS   B HZ1  
1256 H HZ2  . LYS   A 87  ? 0.531126 0.617696 1.14788  0.11307     0.0927823   -0.168459   99  LYS   B HZ2  
1257 H HZ3  . LYS   A 87  ? 0.558853 0.606979 1.1689   0.131689    0.0822991   -0.165207   99  LYS   B HZ3  
1258 N N    . GLY   A 88  ? 0.411772 0.368708 0.768333 0.0266121   0.104758    -0.161326   100 GLY   B N    
1259 C CA   . GLY   A 88  ? 0.441156 0.370194 0.780175 0.02604     0.108129    -0.174854   100 GLY   B CA   
1260 C C    . GLY   A 88  ? 0.434965 0.357589 0.733959 0.0104378   0.104908    -0.175323   100 GLY   B C    
1261 O O    . GLY   A 88  ? 0.472708 0.373856 0.758012 0.00648133  0.102995    -0.186035   100 GLY   B O    
1262 H H    . GLY   A 88  ? 0.408374 0.364257 0.765312 0.0245851   0.0929249   -0.14875    100 GLY   B H    
1263 H HA2  . GLY   A 88  ? 0.448217 0.359682 0.797811 0.0307892   0.100448    -0.170839   100 GLY   B HA2  
1264 H HA3  . GLY   A 88  ? 0.455161 0.38626  0.798928 0.0320732   0.120204    -0.188764   100 GLY   B HA3  
1265 N N    . GLU   A 89  ? 0.388968 0.330614 0.671419 0.00201031  0.103943    -0.165048   101 GLU   B N    
1266 C CA   . GLU   A 89  ? 0.366544 0.305173 0.611868 -0.00961389 0.100198    -0.164983   101 GLU   B CA   
1267 C C    . GLU   A 89  ? 0.348329 0.273537 0.591047 -0.0164258  0.0840426   -0.152461   101 GLU   B C    
1268 O O    . GLU   A 89  ? 0.325803 0.249606 0.584027 -0.0142921  0.07495     -0.136141   101 GLU   B O    
1269 C CB   . GLU   A 89  ? 0.348531 0.307717 0.578025 -0.014133   0.106417    -0.157139   101 GLU   B CB   
1270 C CG   . GLU   A 89  ? 0.330558 0.288715 0.519483 -0.0228847  0.102308    -0.154763   101 GLU   B CG   
1271 C CD   . GLU   A 89  ? 0.315233 0.286985 0.489375 -0.026762   0.108286    -0.143577   101 GLU   B CD   
1272 O OE1  . GLU   A 89  ? 0.308623 0.290693 0.492279 -0.0240025  0.124437    -0.146315   101 GLU   B OE1  
1273 O OE2  . GLU   A 89  ? 0.296302 0.267448 0.449988 -0.032712   0.0983661   -0.13236    101 GLU   B OE2  
1274 H H    . GLU   A 89  ? 0.37914  0.335802 0.674713 0.00388985  0.105197    -0.158441   101 GLU   B H    
1275 H HA   . GLU   A 89  ? 0.385965 0.317482 0.618731 -0.00916706 0.105522    -0.179216   101 GLU   B HA   
1276 H HB2  . GLU   A 89  ? 0.356181 0.322518 0.588476 -0.010132   0.119316    -0.164875   101 GLU   B HB2  
1277 H HB3  . GLU   A 89  ? 0.330774 0.297267 0.574991 -0.014478   0.100912    -0.145476   101 GLU   B HB3  
1278 H HG2  . GLU   A 89  ? 0.324163 0.276421 0.512034 -0.0267204  0.0908787   -0.1485     101 GLU   B HG2  
1279 H HG3  . GLU   A 89  ? 0.350514 0.30386  0.522666 -0.0217553  0.107014    -0.167281   101 GLU   B HG3  
1280 N N    . ILE   A 90  ? 0.34129  0.258303 0.562212 -0.0243834  0.0809422   -0.161078   102 ILE   B N    
1281 C CA   . ILE   A 90  ? 0.332775 0.24453  0.546941 -0.0335702  0.0693295   -0.150173   102 ILE   B CA   
1282 C C    . ILE   A 90  ? 0.323003 0.250058 0.505758 -0.0397725  0.0671861   -0.150639   102 ILE   B C    
1283 O O    . ILE   A 90  ? 0.348361 0.279505 0.510927 -0.0389815  0.0719558   -0.166131   102 ILE   B O    
1284 C CB   . ILE   A 90  ? 0.353965 0.243797 0.578707 -0.0386267  0.0663285   -0.160424   102 ILE   B CB   
1285 C CG1  . ILE   A 90  ? 0.380259 0.248902 0.633148 -0.0302629  0.0688111   -0.157661   102 ILE   B CG1  
1286 C CG2  . ILE   A 90  ? 0.344353 0.23443  0.564046 -0.0498034  0.0575363   -0.149139   102 ILE   B CG2  
1287 C CD1  . ILE   A 90  ? 0.420002 0.260653 0.685161 -0.0341711  0.0700051   -0.172527   102 ILE   B CD1  
1288 H H    . ILE   A 90  ? 0.359832 0.275758 0.570406 -0.0237056  0.0863532   -0.175037   102 ILE   B H    
1289 H HA   . ILE   A 90  ? 0.321503 0.233891 0.544494 -0.0320649  0.0652015   -0.135724   102 ILE   B HA   
1290 H HB   . ILE   A 90  ? 0.369897 0.259279 0.585905 -0.0396092  0.0690414   -0.177047   102 ILE   B HB   
1291 H HG12 . ILE   A 90  ? 0.370682 0.237106 0.629335 -0.0293996  0.0643113   -0.141146   102 ILE   B HG12 
1292 H HG13 . ILE   A 90  ? 0.381293 0.255744 0.639808 -0.0217647  0.074375    -0.161924   102 ILE   B HG13 
1293 H HG21 . ILE   A 90  ? 0.35794  0.232293 0.590664 -0.0538038  0.056917    -0.15176    102 ILE   B HG21 
1294 H HG22 . ILE   A 90  ? 0.330217 0.224593 0.549798 -0.0481127  0.0550589   -0.132954   102 ILE   B HG22 
1295 H HG23 . ILE   A 90  ? 0.341158 0.242721 0.544886 -0.054212   0.0553567   -0.155703   102 ILE   B HG23 
1296 H HD11 . ILE   A 90  ? 0.428394 0.271301 0.68505  -0.0353105  0.0728193   -0.190528   102 ILE   B HD11 
1297 H HD12 . ILE   A 90  ? 0.429904 0.255658 0.711305 -0.0261605  0.0725749   -0.170383   102 ILE   B HD12 
1298 H HD13 . ILE   A 90  ? 0.416614 0.251133 0.682116 -0.043235   0.0656068   -0.166712   102 ILE   B HD13 
1299 N N    . ALA   A 91  ? 0.299221 0.232742 0.475699 -0.0438678  0.0596391   -0.133328   103 ALA   B N    
1300 C CA   . ALA   A 91  ? 0.298522 0.244764 0.446493 -0.0474425  0.0564523   -0.130797   103 ALA   B CA   
1301 C C    . ALA   A 91  ? 0.307881 0.255043 0.455799 -0.0535758  0.0467543   -0.119072   103 ALA   B C    
1302 O O    . ALA   A 91  ? 0.303666 0.24143  0.46974  -0.0542755  0.0443348   -0.107635   103 ALA   B O    
1303 C CB   . ALA   A 91  ? 0.285496 0.240824 0.424793 -0.0438176  0.0613793   -0.120629   103 ALA   B CB   
1304 H H    . ALA   A 91  ? 0.29583  0.224659 0.484817 -0.0431491  0.0563009   -0.122661   103 ALA   B H    
1305 H HA   . ALA   A 91  ? 0.313262 0.261097 0.448211 -0.0476734  0.0578883   -0.143776   103 ALA   B HA   
1306 H HB1  . ALA   A 91  ? 0.294766 0.251067 0.43655  -0.040417   0.0697362   -0.127736   103 ALA   B HB1  
1307 H HB2  . ALA   A 91  ? 0.275867 0.230458 0.428031 -0.0432536  0.0580517   -0.10991    103 ALA   B HB2  
1308 H HB3  . ALA   A 91  ? 0.283982 0.244642 0.402459 -0.0451373  0.0598616   -0.117861   103 ALA   B HB3  
1309 N N    . HIS   A 92  ? 0.314834 0.273752 0.44004  -0.055933   0.0422164   -0.121207   104 HIS   B N    
1310 C CA   . HIS   A 92  ? 0.29117  0.257289 0.41419  -0.0603584  0.0348185   -0.111774   104 HIS   B CA   
1311 C C    . HIS   A 92  ? 0.324176 0.298156 0.423371 -0.0556301  0.0334887   -0.0984536  104 HIS   B C    
1312 O O    . HIS   A 92  ? 0.352207 0.329871 0.428092 -0.0511562  0.0362165   -0.102324   104 HIS   B O    
1313 C CB   . HIS   A 92  ? 0.294131 0.270699 0.414029 -0.0649773  0.0288253   -0.127677   104 HIS   B CB   
1314 C CG   . HIS   A 92  ? 0.300451 0.267961 0.44903  -0.0736734  0.0283733   -0.140749   104 HIS   B CG   
1315 N ND1  . HIS   A 92  ? 0.291736 0.269646 0.447595 -0.0807698  0.0212041   -0.158244   104 HIS   B ND1  
1316 C CD2  . HIS   A 92  ? 0.289202 0.236591 0.462261 -0.0763436  0.0338095   -0.137836   104 HIS   B CD2  
1317 C CE1  . HIS   A 92  ? 0.307642 0.269909 0.492484 -0.0895173  0.0237482   -0.166398   104 HIS   B CE1  
1318 N NE2  . HIS   A 92  ? 0.30379  0.245401 0.497329 -0.0859506  0.0320373   -0.152892   104 HIS   B NE2  
1319 H H    . HIS   A 92  ? 0.316675 0.279754 0.426183 -0.0534195  0.0444033   -0.129182   104 HIS   B H    
1320 H HA   . HIS   A 92  ? 0.297438 0.256416 0.436581 -0.0627896  0.0346682   -0.103955   104 HIS   B HA   
1321 H HB2  . HIS   A 92  ? 0.302988 0.283413 0.405179 -0.0608589  0.0289988   -0.136835   104 HIS   B HB2  
1322 H HB3  . HIS   A 92  ? 0.286622 0.272891 0.402064 -0.0659216  0.0245981   -0.121242   104 HIS   B HB3  
1324 H HD2  . HIS   A 92  ? 0.288919 0.227542 0.464911 -0.0719318  0.0375485   -0.127879   104 HIS   B HD2  
1325 H HE1  . HIS   A 92  ? 0.318472 0.28347  0.51637  -0.096832   0.0197718   -0.179974   104 HIS   B HE1  
1327 N N    . LEU   A 93  ? 0.31783  0.291588 0.420193 -0.0562204  0.030157    -0.0827453  105 LEU   B N    
1328 C CA   . LEU   A 93  ? 0.312787 0.290536 0.393258 -0.0517583  0.0280269   -0.0713118  105 LEU   B CA   
1329 C C    . LEU   A 93  ? 0.312144 0.299395 0.387419 -0.0521975  0.0232568   -0.0654557  105 LEU   B C    
1330 O O    . LEU   A 93  ? 0.347032 0.333729 0.440349 -0.056654   0.0235228   -0.0613321  105 LEU   B O    
1331 C CB   . LEU   A 93  ? 0.309989 0.278752 0.396411 -0.0493305  0.0282603   -0.0593994  105 LEU   B CB   
1332 C CG   . LEU   A 93  ? 0.296645 0.261964 0.393071 -0.0480395  0.0335745   -0.0645653  105 LEU   B CG   
1333 C CD1  . LEU   A 93  ? 0.27494  0.236924 0.379339 -0.0454161  0.0294351   -0.0539976  105 LEU   B CD1  
1334 C CD2  . LEU   A 93  ? 0.314586 0.283247 0.39123  -0.0472189  0.0403657   -0.0710689  105 LEU   B CD2  
1335 H H    . LEU   A 93  ? 0.316563 0.285694 0.433707 -0.059083   0.0298194   -0.0792474  105 LEU   B H    
1336 H HA   . LEU   A 93  ? 0.317598 0.297677 0.382545 -0.0492748  0.0296678   -0.0759792  105 LEU   B HA   
1337 H HB2  . LEU   A 93  ? 0.305318 0.269695 0.404057 -0.0501947  0.0267668   -0.0543844  105 LEU   B HB2  
1338 H HB3  . LEU   A 93  ? 0.302185 0.27196  0.374239 -0.047082   0.0260535   -0.0526897  105 LEU   B HB3  
1339 H HG   . LEU   A 93  ? 0.30263  0.265248 0.414167 -0.0488314  0.0356939   -0.0708404  105 LEU   B HG   
1340 H HD11 . LEU   A 93  ? 0.280137 0.237863 0.393    -0.0442125  0.0256157   -0.0487873  105 LEU   B HD11 
1341 H HD12 . LEU   A 93  ? 0.280933 0.244143 0.396891 -0.0448243  0.032716    -0.057781   105 LEU   B HD12 
1342 H HD13 . LEU   A 93  ? 0.277752 0.240395 0.367257 -0.0449676  0.0271648   -0.0489987  105 LEU   B HD13 
1343 H HD21 . LEU   A 93  ? 0.318653 0.28943  0.389617 -0.0473317  0.0420658   -0.0796963  105 LEU   B HD21 
1344 H HD22 . LEU   A 93  ? 0.310111 0.278833 0.370226 -0.0462204  0.0384001   -0.0652065  105 LEU   B HD22 
1345 H HD23 . LEU   A 93  ? 0.31238  0.280244 0.398148 -0.0470368  0.0453488   -0.0724637  105 LEU   B HD23 
1346 N N    . LEU   A 94  ? 0.299468 0.294395 0.350384 -0.0467789  0.0205255   -0.0644523  106 LEU   B N    
1347 C CA   . LEU   A 94  ? 0.306426 0.311773 0.351433 -0.0438994  0.016846    -0.0574619  106 LEU   B CA   
1348 C C    . LEU   A 94  ? 0.315992 0.311909 0.33728  -0.0368072  0.0166889   -0.0458294  106 LEU   B C    
1349 O O    . LEU   A 94  ? 0.316285 0.304677 0.318317 -0.0332793  0.0180321   -0.0471919  106 LEU   B O    
1350 C CB   . LEU   A 94  ? 0.309065 0.333245 0.348562 -0.0412356  0.0113941   -0.0683568  106 LEU   B CB   
1351 C CG   . LEU   A 94  ? 0.311187 0.35368  0.357956 -0.0392424  0.0084761   -0.0642257  106 LEU   B CG   
1352 C CD1  . LEU   A 94  ? 0.299067 0.344507 0.379527 -0.0502605  0.0132739   -0.0623849  106 LEU   B CD1  
1353 C CD2  . LEU   A 94  ? 0.306752 0.372783 0.348025 -0.0330186  -0.00041002 -0.0761491  106 LEU   B CD2  
1354 H H    . LEU   A 94  ? 0.310314 0.303248 0.347431 -0.0439589  0.0218438   -0.0678913  106 LEU   B H    
1355 H HA   . LEU   A 94  ? 0.302631 0.308083 0.363498 -0.0477579  0.0181452   -0.0531772  106 LEU   B HA   
1356 H HB2  . LEU   A 94  ? 0.31496  0.342677 0.367658 -0.0461858  0.0106912   -0.0788066  106 LEU   B HB2  
1357 H HB3  . LEU   A 94  ? 0.317883 0.339494 0.33558  -0.0350274  0.0103019   -0.0693432  106 LEU   B HB3  
1358 H HG   . LEU   A 94  ? 0.304491 0.341191 0.337475 -0.0338107  0.00976366  -0.0541145  106 LEU   B HG   
1359 H HD11 . LEU   A 94  ? 0.299271 0.331667 0.378009 -0.0503765  0.0175398   -0.0519035  106 LEU   B HD11 
1360 H HD12 . LEU   A 94  ? 0.300525 0.361681 0.39051  -0.0505247  0.0127159   -0.0625158  106 LEU   B HD12 
1361 H HD13 . LEU   A 94  ? 0.304764 0.348684 0.39893  -0.0565578  0.0130677   -0.0716296  106 LEU   B HD13 
1362 H HD21 . LEU   A 94  ? 0.317431 0.377953 0.333271 -0.024514   -0.00247103 -0.0749108  106 LEU   B HD21 
1363 H HD22 . LEU   A 94  ? 0.314752 0.386833 0.368315 -0.0381965  -0.00315686 -0.0879327  106 LEU   B HD22 
1364 H HD23 . LEU   A 94  ? 0.306821 0.386833 0.357697 -0.0317675  -0.00124897 -0.0733892  106 LEU   B HD23 
1365 N N    . ILE   A 95  ? 0.291138 0.285381 0.312745 -0.0349495  0.0162218   -0.0347959  107 ILE   B N    
1366 C CA   . ILE   A 95  ? 0.319161 0.300106 0.321441 -0.0295429  0.0148549   -0.0258974  107 ILE   B CA   
1367 C C    . ILE   A 95  ? 0.341647 0.327032 0.326629 -0.021386   0.0134909   -0.0196569  107 ILE   B C    
1368 O O    . ILE   A 95  ? 0.392862 0.388996 0.388341 -0.0214846  0.0156493   -0.0161082  107 ILE   B O    
1369 C CB   . ILE   A 95  ? 0.339425 0.309937 0.354547 -0.0321937  0.0142492   -0.019501   107 ILE   B CB   
1370 C CG1  . ILE   A 95  ? 0.325188 0.291616 0.358181 -0.0374197  0.0157271   -0.0263175  107 ILE   B CG1  
1371 C CG2  . ILE   A 95  ? 0.33746  0.296674 0.333367 -0.0262194  0.00978863  -0.011863   107 ILE   B CG2  
1372 C CD1  . ILE   A 95  ? 0.315931 0.27695  0.370478 -0.039266   0.015465    -0.0228719  107 ILE   B CD1  
1373 H H    . ILE   A 95  ? 0.300101 0.300916 0.333554 -0.0371835  0.0171481   -0.0333344  107 ILE   B H    
1374 H HA   . ILE   A 95  ? 0.324638 0.299834 0.317328 -0.0288491  0.0152328   -0.0286562  107 ILE   B HA   
1375 H HB   . ILE   A 95  ? 0.331213 0.305276 0.356008 -0.0335619  0.0158833   -0.0164508  107 ILE   B HB   
1376 H HG12 . ILE   A 95  ? 0.325949 0.287155 0.352971 -0.0365945  0.0148008   -0.0264348  107 ILE   B HG12 
1377 H HG13 . ILE   A 95  ? 0.324385 0.296441 0.36019  -0.0396158  0.0182342   -0.0336843  107 ILE   B HG13 
1378 H HG21 . ILE   A 95  ? 0.34104  0.294303 0.344265 -0.0270531  0.00720844  -0.00993797 107 ILE   B HG21 
1379 H HG22 . ILE   A 95  ? 0.342363 0.297824 0.326727 -0.0250353  0.00923124  -0.0144162  107 ILE   B HG22 
1380 H HG23 . ILE   A 95  ? 0.343265 0.304456 0.330972 -0.0223054  0.0100875   -0.00688962 107 ILE   B HG23 
1381 H HD11 . ILE   A 95  ? 0.320527 0.284156 0.38128  -0.0411496  0.0176987   -0.021566   107 ILE   B HD11 
1382 H HD12 . ILE   A 95  ? 0.318042 0.278166 0.384833 -0.0414177  0.0170319   -0.0287686  107 ILE   B HD12 
1383 H HD13 . ILE   A 95  ? 0.32223  0.277316 0.37202  -0.0357585  0.0116743   -0.0161528  107 ILE   B HD13 
1384 N N    . LYS   A 96  ? 0.340237 0.315813 0.299849 -0.014214   0.0116954   -0.0178845  108 LYS   B N    
1385 C CA   . LYS   A 96  ? 0.346862 0.323844 0.288881 -0.00405707 0.010813    -0.0126123  108 LYS   B CA   
1386 C C    . LYS   A 96  ? 0.323555 0.287158 0.257557 -0.00202728 0.00980853  -0.00522966 108 LYS   B C    
1387 O O    . LYS   A 96  ? 0.334828 0.286635 0.273865 -0.00742487 0.00715902  -0.00480516 108 LYS   B O    
1388 C CB   . LYS   A 96  ? 0.387177 0.353724 0.302188 0.0047407   0.00935685  -0.0137081  108 LYS   B CB   
1389 C CG   . LYS   A 96  ? 0.401764 0.384389 0.316446 0.00877045  0.00806679  -0.0199845  108 LYS   B CG   
1390 C CD   . LYS   A 96  ? 0.444812 0.412449 0.327089 0.0207518   0.00704913  -0.0181278  108 LYS   B CD   
1391 C CE   . LYS   A 96  ? 0.517069 0.49747  0.391859 0.0272623   0.00367713  -0.0242754  108 LYS   B CE   
1392 N NZ   . LYS   A 96  ? 0.569482 0.524775 0.407552 0.0389613   0.00495399  -0.0186991  108 LYS   B NZ   
1393 H H    . LYS   A 96  ? 0.346208 0.313047 0.299578 -0.0154395  0.012028    -0.0199579  108 LYS   B H    
1394 H HA   . LYS   A 96  ? 0.342814 0.335827 0.294915 -0.00311962 0.0120455   -0.0134128  108 LYS   B HA   
1395 H HB2  . LYS   A 96  ? 0.388162 0.339982 0.297538 0.00121889  0.00985841  -0.0139749  108 LYS   B HB2  
1396 H HB3  . LYS   A 96  ? 0.391248 0.353881 0.293328 0.0122183   0.00874886  -0.0102132  108 LYS   B HB3  
1397 H HG2  . LYS   A 96  ? 0.398442 0.398912 0.324124 0.0110352   0.00710045  -0.021058   108 LYS   B HG2  
1398 H HG3  . LYS   A 96  ? 0.398959 0.383517 0.323355 0.00196572  0.00886266  -0.0245276  108 LYS   B HG3  
1399 H HD2  . LYS   A 96  ? 0.460529 0.408744 0.333519 0.0171573   0.00974462  -0.0160911  108 LYS   B HD2  
1400 H HD3  . LYS   A 96  ? 0.459224 0.426255 0.332872 0.0289228   0.00600624  -0.0148071  108 LYS   B HD3  
1401 H HE2  . LYS   A 96  ? 0.503046 0.503892 0.387164 0.0321379   -0.00035432 -0.0271456  108 LYS   B HE2  
1402 H HE3  . LYS   A 96  ? 0.502835 0.485252 0.385617 0.019903    0.00492122  -0.0288645  108 LYS   B HE3  
1403 H HZ1  . LYS   A 96  ? 0.565376 0.515768 0.395953 0.0457471   0.00413885  -0.0148944  108 LYS   B HZ1  
1404 H HZ2  . LYS   A 96  ? 0.56523  0.502792 0.397477 0.0328968   0.0098181   -0.016619   108 LYS   B HZ2  
1405 H HZ3  . LYS   A 96  ? 0.571554 0.532923 0.39948  0.0460891   0.0019918   -0.0212058  108 LYS   B HZ3  
1406 N N    . PRO   A 97  ? 0.332114 0.298848 0.253619 0.00707803  0.011485    -6.96e-05   109 PRO   B N    
1407 C CA   . PRO   A 97  ? 0.342739 0.297221 0.252097 0.0107678   0.0105831   0.00651651  109 PRO   B CA   
1408 C C    . PRO   A 97  ? 0.356607 0.288189 0.250557 0.0105985   0.00247138  0.00405801  109 PRO   B C    
1409 O O    . PRO   A 97  ? 0.40122  0.324291 0.292911 0.0104235   -0.00239125 0.00682336  109 PRO   B O    
1410 C CB   . PRO   A 97  ? 0.345568 0.306847 0.23897  0.0229644   0.0156918   0.010331    109 PRO   B CB   
1411 C CG   . PRO   A 97  ? 0.327633 0.307145 0.228736 0.0261723   0.0173903   0.0052605   109 PRO   B CG   
1412 C CD   . PRO   A 97  ? 0.317405 0.30306  0.238227 0.0152563   0.0146851   -0.00086672 109 PRO   B CD   
1413 H HA   . PRO   A 97  ? 0.337726 0.296001 0.26059  0.00608751  0.0125702   0.00976164  109 PRO   B HA   
1414 H HB2  . PRO   A 97  ? 0.358769 0.305699 0.230955 0.0295628   0.0126175   0.010239    109 PRO   B HB2  
1415 H HB3  . PRO   A 97  ? 0.346328 0.314653 0.246217 0.022618    0.0209614   0.0155573   109 PRO   B HB3  
1416 H HG2  . PRO   A 97  ? 0.341153 0.311394 0.223835 0.0340233   0.01495     0.00365893  109 PRO   B HG2  
1417 H HG3  . PRO   A 97  ? 0.329699 0.326226 0.240651 0.0285788   0.0227345   0.00710431  109 PRO   B HG3  
1418 H HD2  . PRO   A 97  ? 0.32377  0.308351 0.235968 0.0191019   0.0122045   -0.00456431 109 PRO   B HD2  
1419 H HD3  . PRO   A 97  ? 0.311559 0.313695 0.252632 0.0104415   0.0175892   -0.00188484 109 PRO   B HD3  
1420 N N    . GLU   A 98  ? 0.345027 0.26686  0.229418 0.0107006   0.00099088  -0.00114967 110 GLU   B N    
1421 C CA   . GLU   A 98  ? 0.393564 0.293482 0.26774  0.00800109  -0.00490415 -0.00511914 110 GLU   B CA   
1422 C C    . GLU   A 98  ? 0.390936 0.291722 0.289643 -0.00387128 -0.00837107 -0.00825039 110 GLU   B C    
1423 O O    . GLU   A 98  ? 0.394006 0.281945 0.292486 -0.00741274 -0.0151951  -0.0125163  110 GLU   B O    
1424 C CB   . GLU   A 98  ? 0.445313 0.330893 0.305392 0.00908737  -0.00186226 -0.00795357 110 GLU   B CB   
1425 C CG   . GLU   A 98  ? 0.539707 0.418225 0.37271  0.023757    -0.00020692 -0.0061094  110 GLU   B CG   
1426 C CD   . GLU   A 98  ? 0.630521 0.53056  0.46474  0.0325244   0.00432345  -0.00384325 110 GLU   B CD   
1427 O OE1  . GLU   A 98  ? 0.659813 0.583185 0.516528 0.0266673   0.00620279  -0.0043839  110 GLU   B OE1  
1428 O OE2  . GLU   A 98  ? 0.659708 0.551995 0.472049 0.0464713   0.00496021  -0.00297857 110 GLU   B OE2  
1429 H H    . GLU   A 98  ? 0.354755 0.283446 0.239135 0.0125344   0.00400109  -0.00225559 110 GLU   B H    
1430 H HA   . GLU   A 98  ? 0.406975 0.298565 0.267006 0.0134999   -0.0087205  -0.00450346 110 GLU   B HA   
1431 H HB2  . GLU   A 98  ? 0.441724 0.335536 0.311393 0.00540503  0.00205799  -0.00835196 110 GLU   B HB2  
1432 H HB3  . GLU   A 98  ? 0.459329 0.330528 0.318426 0.00416819  -0.00445577 -0.0108754  110 GLU   B HB3  
1433 H HG2  . GLU   A 98  ? 0.555085 0.414811 0.375455 0.0242615   -1.813e-05  -0.00762546 110 GLU   B HG2  
1434 H HG3  . GLU   A 98  ? 0.546963 0.422925 0.37166  0.0287805   -0.00279569 -0.0055783  110 GLU   B HG3  
1435 N N    . TYR   A 99  ? 0.364888 0.281024 0.286939 -0.0100118  -0.00392733 -0.00814851 111 TYR   B N    
1436 C CA   . TYR   A 99  ? 0.35092  0.269636 0.298245 -0.0186053  -0.00621533 -0.0114442  111 TYR   B CA   
1437 C C    . TYR   A 99  ? 0.350537 0.277149 0.310893 -0.0167898  -0.00901111 -0.00646442 111 TYR   B C    
1438 O O    . TYR   A 99  ? 0.32806  0.258696 0.311666 -0.0209507  -0.0108401  -0.00805938 111 TYR   B O    
1439 C CB   . TYR   A 99  ? 0.325617 0.249179 0.285078 -0.0255277  0.00221446  -0.0162637  111 TYR   B CB   
1440 C CG   . TYR   A 99  ? 0.318579 0.227988 0.261527 -0.0269013  0.00694682  -0.0182569  111 TYR   B CG   
1441 C CD1  . TYR   A 99  ? 0.318192 0.222    0.235046 -0.0192228  0.0102949   -0.0157374  111 TYR   B CD1  
1442 C CD2  . TYR   A 99  ? 0.326604 0.228649 0.282675 -0.0358119  0.0097363   -0.0222801  111 TYR   B CD2  
1443 C CE1  . TYR   A 99  ? 0.336946 0.221743 0.234779 -0.018946   0.0158475   -0.015221   111 TYR   B CE1  
1444 C CE2  . TYR   A 99  ? 0.348332 0.23332  0.289532 -0.0386321  0.0178534   -0.0221647  111 TYR   B CE2  
1445 C CZ   . TYR   A 99  ? 0.353378 0.226827 0.262493 -0.0295803  0.0208512   -0.0177289  111 TYR   B CZ   
1446 O OH   . TYR   A 99  ? 0.408534 0.259538 0.299739 -0.0310323  0.0294842   -0.0155175  111 TYR   B OH   
1447 H H    . TYR   A 99  ? 0.359194 0.284719 0.28255  -0.00844638 0.00030281  -0.00703527 111 TYR   B H    
1448 H HA   . TYR   A 99  ? 0.35787  0.267949 0.303527 -0.0199312  -0.0114192  -0.0138976  111 TYR   B HA   
1449 H HB2  . TYR   A 99  ? 0.318724 0.250766 0.278292 -0.0239234  0.00564039  -0.015709   111 TYR   B HB2  
1450 H HB3  . TYR   A 99  ? 0.318453 0.245852 0.297078 -0.0303429  0.00195862  -0.0187743  111 TYR   B HB3  
1451 H HD1  . TYR   A 99  ? 0.317045 0.229054 0.228903 -0.0133914  0.00878802  -0.0138243  111 TYR   B HD1  
1452 H HD2  . TYR   A 99  ? 0.320135 0.228879 0.296819 -0.0399618  0.00692301  -0.0247901  111 TYR   B HD2  
1453 H HE1  . TYR   A 99  ? 0.349413 0.229334 0.228072 -0.011488   0.0170928   -0.012879   111 TYR   B HE1  
1454 H HE2  . TYR   A 99  ? 0.35058  0.231123 0.303841 -0.0461566  0.0213542   -0.0247069  111 TYR   B HE2  
1456 N N    . ALA   A 100 ? 0.349258 0.275848 0.293099 -0.00919365 -0.00837335 0.00045591  112 ALA   B N    
1457 C CA   . ALA   A 100 ? 0.344667 0.273163 0.294511 -0.0066012  -0.00803684 0.0083783   112 ALA   B CA   
1458 C C    . ALA   A 100 ? 0.346106 0.263835 0.267167 0.0040916   -0.0135622  0.0143199   112 ALA   B C    
1459 O O    . ALA   A 100 ? 0.317433 0.226168 0.232456 0.00636186  -0.0253967  0.0105602   112 ALA   B O    
1460 C CB   . ALA   A 100 ? 0.35369  0.294659 0.31636  -0.010031   0.00285338  0.0110459   112 ALA   B CB   
1461 H H    . ALA   A 100 ? 0.355137 0.279428 0.282963 -0.00496658 -0.00700656 0.00085776  112 ALA   B H    
1462 H HA   . ALA   A 100 ? 0.343151 0.270717 0.307825 -0.00936906 -0.0118191  0.00707287  112 ALA   B HA   
1463 H HB1  . ALA   A 100 ? 0.338256 0.28352  0.318653 -0.0160978  0.00426201  0.00646138  112 ALA   B HB1  
1464 H HB2  . ALA   A 100 ? 0.347241 0.293399 0.301195 -0.00802666 0.00592177  0.00973154  112 ALA   B HB2  
1465 H HB3  . ALA   A 100 ? 0.355262 0.294724 0.31774  -0.00792753 0.00554023  0.018187    112 ALA   B HB3  
1466 N N    . TYR   A 101 ? 0.338473 0.258412 0.243151 0.0107437   -0.00524569 0.0221018   113 TYR   B N    
1467 C CA   . TYR   A 101 ? 0.353632 0.261917 0.227202 0.0227327   -0.00827424 0.0289521   113 TYR   B CA   
1468 C C    . TYR   A 101 ? 0.356472 0.261606 0.202207 0.0314581   -0.00584069 0.0260033   113 TYR   B C    
1469 O O    . TYR   A 101 ? 0.383555 0.278335 0.198689 0.0429462   -0.00720114 0.0297387   113 TYR   B O    
1470 C CB   . TYR   A 101 ? 0.361839 0.270225 0.232872 0.0263529   0.00232466  0.043201    113 TYR   B CB   
1471 C CG   . TYR   A 101 ? 0.371651 0.27587  0.264471 0.021478    -0.00119732 0.0474076   113 TYR   B CG   
1472 C CD1  . TYR   A 101 ? 0.386505 0.276964 0.264589 0.0302433   -0.0147023  0.05055     113 TYR   B CD1  
1473 C CD2  . TYR   A 101 ? 0.349872 0.263446 0.277412 0.00982257  0.00698746  0.0464178   113 TYR   B CD2  
1474 C CE1  . TYR   A 101 ? 0.391259 0.277408 0.289043 0.0291539   -0.0190846  0.0544298   113 TYR   B CE1  
1475 C CE2  . TYR   A 101 ? 0.35046  0.256969 0.297073 0.00737225  0.00383255  0.0491885   113 TYR   B CE2  
1476 C CZ   . TYR   A 101 ? 0.38795  0.281101 0.320599 0.0176143   -0.00900845 0.0536748   113 TYR   B CZ   
1477 O OH   . TYR   A 101 ? 0.4062   0.291876 0.357204 0.0185427   -0.0124078  0.0573991   113 TYR   B OH   
1478 H H    . TYR   A 101 ? 0.33118  0.260813 0.244096 0.00821191  0.00260351  0.0226872   113 TYR   B H    
1479 H HA   . TYR   A 101 ? 0.361192 0.261188 0.230483 0.0243348   -0.0192907  0.0260044   113 TYR   B HA   
1480 H HB2  . TYR   A 101 ? 0.357974 0.27708  0.238885 0.0230717   0.0133682   0.0451594   113 TYR   B HB2  
1481 H HB3  . TYR   A 101 ? 0.388322 0.287871 0.233285 0.0358308   0.00102353  0.0476946   113 TYR   B HB3  
1482 H HD1  . TYR   A 101 ? 0.405762 0.28971  0.259558 0.0381998   -0.0218307  0.0493359   113 TYR   B HD1  
1483 H HD2  . TYR   A 101 ? 0.337092 0.261578 0.274916 0.00446971  0.0138274   0.0428109   113 TYR   B HD2  
1484 H HE1  . TYR   A 101 ? 0.411046 0.289551 0.298939 0.0369055   -0.0298069  0.0563304   113 TYR   B HE1  
1485 H HE2  . TYR   A 101 ? 0.343742 0.25457  0.31254  -0.0001678  0.00938713  0.0471687   113 TYR   B HE2  
1487 N N    . GLY   A 102 ? 0.343639 0.255229 0.196637 0.0280216   -0.00290468 0.0189918   114 GLY   B N    
1488 C CA   . GLY   A 102 ? 0.352209 0.255229 0.17947  0.0373062   -0.00343383 0.0141087   114 GLY   B CA   
1489 C C    . GLY   A 102 ? 0.357124 0.268906 0.169204 0.0489173   0.0083675   0.0207577   114 GLY   B C    
1490 O O    . GLY   A 102 ? 0.361415 0.289309 0.188941 0.0466442   0.0192608   0.0291147   114 GLY   B O    
1491 H H    . GLY   A 102 ? 0.325525 0.245752 0.198556 0.0207292   -0.00051007 0.0172275   114 GLY   B H    
1492 H HA2  . GLY   A 102 ? 0.341814 0.247178 0.176782 0.0339002   -0.00273326 0.0097352   114 GLY   B HA2  
1493 H HA3  . GLY   A 102 ? 0.366755 0.255045 0.178774 0.0399562   -0.0120664  0.0101839   114 GLY   B HA3  
1494 N N    . SER   A 103 ? 0.372504 0.273093 0.156352 0.0610685   0.00766297  0.0164906   115 SER   B N    
1495 C CA   . SER   A 103 ? 0.411709 0.322125 0.181145 0.0742546   0.0205418   0.0217549   115 SER   B CA   
1496 C C    . SER   A 103 ? 0.417705 0.321282 0.164909 0.0810898   0.024852    0.0304518   115 SER   B C    
1497 O O    . SER   A 103 ? 0.426282 0.34201  0.168027 0.0892335   0.0404018   0.0377693   115 SER   B O    
1498 C CB   . SER   A 103 ? 0.458661 0.356805 0.202936 0.0878208   0.0191941   0.0140081   115 SER   B CB   
1499 O OG   . SER   A 103 ? 0.552371 0.419764 0.265853 0.0919001   0.0065755   0.00639115  115 SER   B OG   
1500 H H    . SER   A 103 ? 0.385742 0.27211  0.160051 0.061271    5.528e-05   0.0099786   115 SER   B H    
1501 H HA   . SER   A 103 ? 0.391651 0.322143 0.183374 0.0705539   0.0287374   0.0250047   115 SER   B HA   
1502 H HB2  . SER   A 103 ? 0.475546 0.383135 0.212904 0.0975289   0.0288784   0.0171131   115 SER   B HB2  
1503 H HB3  . SER   A 103 ? 0.452715 0.354191 0.208913 0.0847921   0.0175302   0.0105636   115 SER   B HB3  
1505 N N    . ALA   A 104 ? 0.416422 0.302013 0.150178 0.0793433   0.0121025   0.0301901   116 ALA   B N    
1506 C CA   . ALA   A 104 ? 0.457045 0.333659 0.162489 0.0890961   0.0153958   0.0399847   116 ALA   B CA   
1507 C C    . ALA   A 104 ? 0.450488 0.339744 0.181436 0.0804766   0.0273025   0.0545655   116 ALA   B C    
1508 O O    . ALA   A 104 ? 0.457315 0.343187 0.169316 0.0880955   0.0398092   0.0677765   116 ALA   B O    
1509 C CB   . ALA   A 104 ? 0.47268  0.326309 0.151125 0.0939317   -0.00565235 0.033317    116 ALA   B CB   
1510 H H    . ALA   A 104 ? 0.413015 0.292024 0.154529 0.0728761   0.00115561  0.0239415   116 ALA   B H    
1511 H HA   . ALA   A 104 ? 0.472682 0.349826 0.15844  0.0995958   0.0249942   0.0417376   116 ALA   B HA   
1512 H HB1  . ALA   A 104 ? 0.491346 0.334194 0.149023 0.10062     -0.0114315  0.0242124   116 ALA   B HB1  
1513 H HB2  . ALA   A 104 ? 0.4573   0.311986 0.157445 0.0840851   -0.0154703  0.0293866   116 ALA   B HB2  
1514 H HB3  . ALA   A 104 ? 0.497506 0.346111 0.157967 0.10066     -0.00367959 0.0415696   116 ALA   B HB3  
1515 N N    . GLY   A 105 ? 0.427183 0.329124 0.200002 0.0647502   0.0253047   0.0518815   117 GLY   B N    
1516 C CA   . GLY   A 105 ? 0.405568 0.315132 0.206566 0.054553    0.0342294   0.0625425   117 GLY   B CA   
1517 C C    . GLY   A 105 ? 0.429503 0.319017 0.212702 0.0593001   0.0251261   0.0705073   117 GLY   B C    
1518 O O    . GLY   A 105 ? 0.43528  0.311205 0.19853  0.0654808   0.00608385  0.0628227   117 GLY   B O    
1519 H H    . GLY   A 105 ? 0.405147 0.308983 0.187637 0.0606241   0.0186087   0.0430197   117 GLY   B H    
1520 H HA2  . GLY   A 105 ? 0.383422 0.301513 0.211737 0.0443963   0.0312742   0.0570421   117 GLY   B HA2  
1521 H HA3  . GLY   A 105 ? 0.413352 0.33219  0.217928 0.0553219   0.0493179   0.0697691   117 GLY   B HA3  
1522 N N    . SER   A 106 ? 0.426576 0.314304 0.219855 0.0561324   0.038353    0.0855198   118 SER   B N    
1523 C CA   . SER   A 106 ? 0.44793  0.314283 0.219736 0.0644312   0.0319376   0.0969457   118 SER   B CA   
1524 C C    . SER   A 106 ? 0.47083  0.331815 0.241749 0.0639738   0.0561181   0.117264    118 SER   B C    
1525 O O    . SER   A 106 ? 0.443257 0.301366 0.243211 0.0538477   0.0622569   0.124128    118 SER   B O    
1526 C CB   . SER   A 106 ? 0.426561 0.290758 0.225399 0.0572321   0.0149141   0.0902095   118 SER   B CB   
1527 O OG   . SER   A 106 ? 0.44936  0.294332 0.227044 0.0688326   0.00343802  0.0990682   118 SER   B OG   
1528 H H    . SER   A 106 ? 0.417056 0.316372 0.231035 0.0490268   0.0513545   0.0886205   118 SER   B H    
1529 H HA   . SER   A 106 ? 0.473848 0.330317 0.21215  0.0763264   0.0238074   0.0956402   118 SER   B HA   
1530 H HB2  . SER   A 106 ? 0.408236 0.278014 0.212068 0.0550777   0.00332905  0.0773707   118 SER   B HB2  
1531 H HB3  . SER   A 106 ? 0.406335 0.277699 0.234941 0.0466137   0.0231323   0.0913902   118 SER   B HB3  
1533 N N    . LEU   A 107 ? 0.516176 0.375455 0.254614 0.074567    0.0719574   0.126021    119 LEU   B N    
1534 C CA   . LEU   A 107 ? 0.554007 0.409523 0.292275 0.0729593   0.100185    0.146198    119 LEU   B CA   
1535 C C    . LEU   A 107 ? 0.595057 0.419346 0.306855 0.0816767   0.0988796   0.164605    119 LEU   B C    
1536 O O    . LEU   A 107 ? 0.62054  0.4279   0.299185 0.0958323   0.0763307   0.162354    119 LEU   B O    
1537 C CB   . LEU   A 107 ? 0.580009 0.44361  0.290024 0.0836629   0.119243    0.150227    119 LEU   B CB   
1538 C CG   . LEU   A 107 ? 0.555945 0.452163 0.298807 0.0759929   0.122614    0.133923    119 LEU   B CG   
1539 C CD1  . LEU   A 107 ? 0.604975 0.506036 0.314589 0.0911783   0.141417    0.138805    119 LEU   B CD1  
1540 C CD2  . LEU   A 107 ? 0.511332 0.433274 0.31663  0.0547062   0.134813    0.13178     119 LEU   B CD2  
1541 H H    . LEU   A 107 ? 0.52101  0.380823 0.237314 0.0828392   0.0661345   0.119101    119 LEU   B H    
1542 H HA   . LEU   A 107 ? 0.526734 0.395576 0.304632 0.0585451   0.108269    0.144492    119 LEU   B HA   
1543 H HB2  . LEU   A 107 ? 0.607489 0.458077 0.27723  0.0981537   0.109161    0.148561    119 LEU   B HB2  
1544 H HB3  . LEU   A 107 ? 0.606272 0.46596  0.314998 0.0826075   0.139907    0.165271    119 LEU   B HB3  
1545 H HG   . LEU   A 107 ? 0.535935 0.432252 0.276311 0.0776043   0.103528    0.120418    119 LEU   B HG   
1546 H HD11 . LEU   A 107 ? 0.629325 0.511312 0.296079 0.105054    0.13396     0.140463    119 LEU   B HD11 
1547 H HD12 . LEU   A 107 ? 0.580525 0.49919  0.302763 0.0911847   0.13969     0.127301    119 LEU   B HD12 
1548 H HD13 . LEU   A 107 ? 0.614793 0.520183 0.3333   0.0876119   0.163056    0.151455    119 LEU   B HD13 
1549 H HD21 . LEU   A 107 ? 0.493223 0.412263 0.317318 0.046442    0.121931    0.12606     119 LEU   B HD21 
1550 H HD22 . LEU   A 107 ? 0.531853 0.451892 0.343962 0.0506457   0.153338    0.144794    119 LEU   B HD22 
1551 H HD23 . LEU   A 107 ? 0.495885 0.43882  0.31539  0.0538937   0.137023    0.122625    119 LEU   B HD23 
1552 N N    . PRO   A 108 ? 0.614092 0.42904  0.339904 0.0741042   0.123377    0.183725    120 PRO   B N    
1553 C CA   . PRO   A 108 ? 0.594586 0.433415 0.369054 0.0545655   0.147957    0.183345    120 PRO   B CA   
1554 C C    . PRO   A 108 ? 0.553079 0.406466 0.387712 0.0335661   0.140305    0.169653    120 PRO   B C    
1555 O O    . PRO   A 108 ? 0.538453 0.41351  0.417619 0.0164587   0.155807    0.165549    120 PRO   B O    
1556 C CB   . PRO   A 108 ? 0.639098 0.457249 0.402703 0.0541055   0.178648    0.210022    120 PRO   B CB   
1557 C CG   . PRO   A 108 ? 0.676668 0.455806 0.39961  0.069633    0.163384    0.2231      120 PRO   B CG   
1558 C CD   . PRO   A 108 ? 0.66724  0.447136 0.353962 0.0870838   0.131265    0.20796     120 PRO   B CD   
1559 H HA   . PRO   A 108 ? 0.583769 0.440893 0.356444 0.0564154   0.152111    0.176177    120 PRO   B HA   
1560 H HB2  . PRO   A 108 ? 0.627398 0.452363 0.431192 0.0378892   0.190974    0.211247    120 PRO   B HB2  
1561 H HB3  . PRO   A 108 ? 0.662271 0.483834 0.402939 0.0616108   0.19335     0.216588    120 PRO   B HB3  
1562 H HG2  . PRO   A 108 ? 0.663309 0.436226 0.414128 0.0605145   0.158253    0.222134    120 PRO   B HG2  
1563 H HG3  . PRO   A 108 ? 0.721735 0.481227 0.414777 0.077811    0.17975     0.242005    120 PRO   B HG3  
1564 H HD2  . PRO   A 108 ? 0.6706   0.437953 0.355305 0.0910916   0.113627    0.206797    120 PRO   B HD2  
1565 H HD3  . PRO   A 108 ? 0.702769 0.474293 0.34639  0.101785    0.134447    0.2142      120 PRO   B HD3  
1566 N N    . LYS   A 109 ? 0.553679 0.39661  0.392095 0.0347586   0.116346    0.161299    121 LYS   B N    
1567 C CA   . LYS   A 109 ? 0.531173 0.382238 0.42176  0.0164625   0.112796    0.15059     121 LYS   B CA   
1568 C C    . LYS   A 109 ? 0.493699 0.37887  0.412052 0.00725006  0.104732    0.128004    121 LYS   B C    
1569 O O    . LYS   A 109 ? 0.469415 0.373056 0.43054  -0.00915227 0.112913    0.119849    121 LYS   B O    
1570 C CB   . LYS   A 109 ? 0.54125  0.370877 0.431763 0.0211773   0.0933308   0.149686    121 LYS   B CB   
1571 H H    . LYS   A 109 ? 0.56378  0.395629 0.373973 0.0468766   0.102075    0.16109     121 LYS   B H    
1572 H HA   . LYS   A 109 ? 0.542608 0.390849 0.452017 0.0070122   0.130539    0.159022    121 LYS   B HA   
1575 N N    . ILE   A 110 ? 0.488107 0.379778 0.379663 0.0187394   0.0887295   0.118041    122 ILE   B N    
1576 C CA   . ILE   A 110 ? 0.446276 0.363336 0.356261 0.01332     0.0799049   0.0987783   122 ILE   B CA   
1577 C C    . ILE   A 110 ? 0.452407 0.382243 0.339172 0.0233216   0.0863622   0.0977153   122 ILE   B C    
1578 O O    . ILE   A 110 ? 0.499429 0.414784 0.343815 0.038543    0.0804252   0.101093    122 ILE   B O    
1579 C CB   . ILE   A 110 ? 0.44124  0.353644 0.347501 0.0156548   0.0558733   0.0850791   122 ILE   B CB   
1580 C CG1  . ILE   A 110 ? 0.442485 0.338422 0.360274 0.0131615   0.0480895   0.0881261   122 ILE   B CG1  
1581 C CG2  . ILE   A 110 ? 0.414018 0.349201 0.347384 0.00605256  0.051457    0.0677881   122 ILE   B CG2  
1582 C CD1  . ILE   A 110 ? 0.437079 0.340832 0.399096 -0.00325301 0.056584    0.0837589   122 ILE   B CD1  
1583 H H    . ILE   A 110 ? 0.506646 0.384773 0.366578 0.0305968   0.0829388   0.123399    122 ILE   B H    
1584 H HA   . ILE   A 110 ? 0.433135 0.362767 0.374781 0.00170082  0.0859569   0.0944562   122 ILE   B HA   
1585 H HB   . ILE   A 110 ? 0.449923 0.355669 0.327986 0.0259891   0.0485829   0.0848538   122 ILE   B HB   
1586 H HG12 . ILE   A 110 ? 0.473439 0.353787 0.373016 0.0203298   0.0514869   0.100611    122 ILE   B HG12 
1587 H HG13 . ILE   A 110 ? 0.436792 0.331501 0.351526 0.015782    0.0337357   0.0799199   122 ILE   B HG13 
1588 H HG21 . ILE   A 110 ? 0.398812 0.330388 0.3372   0.00420323  0.0401886   0.0605177   122 ILE   B HG21 
1589 H HG22 . ILE   A 110 ? 0.402323 0.347937 0.360719 -0.00300704 0.060143    0.0671279   122 ILE   B HG22 
1590 H HG23 . ILE   A 110 ? 0.410115 0.352429 0.329955 0.011577    0.0513352   0.0645276   122 ILE   B HG23 
1591 H HD11 . ILE   A 110 ? 0.408885 0.324626 0.385297 -0.00836585 0.0497      0.0708955   122 ILE   B HD11 
1592 H HD12 . ILE   A 110 ? 0.443391 0.332479 0.410169 -0.00302264 0.05511     0.0889265   122 ILE   B HD12 
1593 H HD13 . ILE   A 110 ? 0.436707 0.347412 0.407914 -0.00845636 0.0702931   0.0881158   122 ILE   B HD13 
1594 N N    . PRO   A 111 ? 0.420245 0.378451 0.335332 0.016122    0.0957947   0.0901461   123 PRO   B N    
1595 C CA   . PRO   A 111 ? 0.406519 0.380094 0.305281 0.0271289   0.101054    0.0866904   123 PRO   B CA   
1596 C C    . PRO   A 111 ? 0.385176 0.360836 0.271733 0.033696    0.0820475   0.0709205   123 PRO   B C    
1597 O O    . PRO   A 111 ? 0.36734  0.341047 0.267142 0.0266223   0.0670431   0.0606672   123 PRO   B O    
1598 C CB   . PRO   A 111 ? 0.397361 0.403134 0.339352 0.0164212   0.118104    0.0851934   123 PRO   B CB   
1599 C CG   . PRO   A 111 ? 0.383332 0.392874 0.367117 -0.00230082 0.114057    0.0797018   123 PRO   B CG   
1600 C CD   . PRO   A 111 ? 0.400642 0.37822  0.366151 -0.00182075 0.101119    0.0834641   123 PRO   B CD   
1601 H HA   . PRO   A 111 ? 0.43675  0.398809 0.306867 0.0369732   0.107634    0.0958335   123 PRO   B HA   
1602 H HB2  . PRO   A 111 ? 0.386003 0.409054 0.331957 0.0207148   0.114899    0.0762448   123 PRO   B HB2  
1603 H HB3  . PRO   A 111 ? 0.419008 0.425491 0.35814  0.017773    0.134842    0.0960866   123 PRO   B HB3  
1604 H HG2  . PRO   A 111 ? 0.361827 0.387473 0.362335 -0.00548539 0.10535     0.0671667   123 PRO   B HG2  
1605 H HG3  . PRO   A 111 ? 0.391675 0.408118 0.397861 -0.0109058  0.128585    0.085665    123 PRO   B HG3  
1606 H HD2  . PRO   A 111 ? 0.376625 0.356279 0.35171  -0.00552556 0.0882156   0.0726603   123 PRO   B HD2  
1607 H HD3  . PRO   A 111 ? 0.408956 0.376609 0.385118 -0.00838507 0.109416    0.091945    123 PRO   B HD3  
1608 N N    . SER   A 112 ? 0.387068 0.364496 0.245963 0.0483177   0.0851644   0.0696936   124 SER   B N    
1609 C CA   . SER   A 112 ? 0.372598 0.347311 0.216644 0.0560466   0.0706238   0.0564975   124 SER   B CA   
1610 C C    . SER   A 112 ? 0.335569 0.331464 0.216439 0.0458048   0.0651016   0.0457852   124 SER   B C    
1611 O O    . SER   A 112 ? 0.293388 0.316772 0.205684 0.0406967   0.0749196   0.0450216   124 SER   B O    
1612 C CB   . SER   A 112 ? 0.389907 0.367581 0.20647  0.0734711   0.0797916   0.0568393   124 SER   B CB   
1613 O OG   . SER   A 112 ? 0.39056  0.365412 0.196065 0.0817957   0.0684642   0.0443567   124 SER   B OG   
1614 H H    . SER   A 112 ? 0.408372 0.387064 0.256529 0.0540061   0.0978168   0.0775809   124 SER   B H    
1615 H HA   . SER   A 112 ? 0.376934 0.332331 0.203743 0.0571547   0.0584808   0.0542616   124 SER   B HA   
1616 H HB2  . SER   A 112 ? 0.417655 0.378196 0.205111 0.0808155   0.0805281   0.0619196   124 SER   B HB2  
1617 H HB3  . SER   A 112 ? 0.391827 0.389733 0.226481 0.0726526   0.0938583   0.0607754   124 SER   B HB3  
1619 N N    . ASN   A 113 ? 0.348635 0.331653 0.223941 0.0435954   0.0490188   0.0366969   125 ASN   B N    
1620 C CA   . ASN   A 113 ? 0.36049  0.358282 0.254126 0.0405317   0.0432838   0.0265104   125 ASN   B CA   
1621 C C    . ASN   A 113 ? 0.321315 0.338134 0.254858 0.0251334   0.0450576   0.0239057   125 ASN   B C    
1622 O O    . ASN   A 113 ? 0.280798 0.320175 0.233638 0.0242963   0.0441422   0.0164605   125 ASN   B O    
1623 C CB   . ASN   A 113 ? 0.365113 0.380278 0.25378  0.054399    0.0487834   0.0238487   125 ASN   B CB   
1624 C CG   . ASN   A 113 ? 0.381041 0.372356 0.230958 0.0693239   0.0421401   0.0204388   125 ASN   B CG   
1625 O OD1  . ASN   A 113 ? 0.393219 0.392607 0.232461 0.0842962   0.0476916   0.0194406   125 ASN   B OD1  
1626 N ND2  . ASN   A 113 ? 0.387354 0.349857 0.21874  0.0656845   0.0307958   0.017501    125 ASN   B ND2  
1627 H H    . ASN   A 113 ? 0.355817 0.320604 0.215321 0.0442865   0.0416159   0.0368796   125 ASN   B H    
1628 H HA   . ASN   A 113 ? 0.349721 0.332266 0.231333 0.0406666   0.0339236   0.0221093   125 ASN   B HA   
1629 H HB2  . ASN   A 113 ? 0.370461 0.397245 0.264576 0.0566655   0.0596272   0.029181    125 ASN   B HB2  
1630 H HB3  . ASN   A 113 ? 0.351054 0.382351 0.257807 0.0520528   0.046368    0.018496    125 ASN   B HB3  
1631 H HD21 . ASN   A 113 ? 0.401022 0.347771 0.210969 0.0731687   0.0271072   0.0147468   125 ASN   B HD21 
1632 H HD22 . ASN   A 113 ? 0.376651 0.335715 0.21823  0.0558713   0.0269768   0.0175704   125 ASN   B HD22 
1633 N N    . ALA   A 114 ? 0.328881 0.33439  0.272169 0.0147268   0.0457421   0.0288555   126 ALA   B N    
1634 C CA   . ALA   A 114 ? 0.3332   0.351293 0.313168 0.00021459  0.04976     0.0269177   126 ALA   B CA   
1635 C C    . ALA   A 114 ? 0.340276 0.354521 0.327951 -0.00619068 0.0379332   0.0156947   126 ALA   B C    
1636 O O    . ALA   A 114 ? 0.383955 0.378231 0.354275 -0.004318   0.0296484   0.0149444   126 ALA   B O    
1637 C CB   . ALA   A 114 ? 0.355054 0.356842 0.337157 -0.00486918 0.0570507   0.0389453   126 ALA   B CB   
1638 H H    . ALA   A 114 ? 0.340659 0.328829 0.266632 0.0174831   0.0427818   0.0329227   126 ALA   B H    
1639 H HA   . ALA   A 114 ? 0.331274 0.370208 0.328713 -0.001204   0.0556438   0.024653    126 ALA   B HA   
1640 H HB1  . ALA   A 114 ? 0.365921 0.370195 0.342099 -0.0009315  0.0669415   0.0469195   126 ALA   B HB1  
1641 H HB2  . ALA   A 114 ? 0.357457 0.341472 0.322234 -0.0014205  0.0498463   0.0407373   126 ALA   B HB2  
1642 H HB3  . ALA   A 114 ? 0.346005 0.351807 0.352318 -0.0148729  0.0592684   0.0368871   126 ALA   B HB3  
1643 N N    . THR   A 115 ? 0.320318 0.354973 0.334928 -0.0137739  0.0375481   0.00601663  127 THR   B N    
1644 C CA   . THR   A 115 ? 0.286367 0.316455 0.311078 -0.0216341  0.0302794   -0.00391527 127 THR   B CA   
1645 C C    . THR   A 115 ? 0.282268 0.303911 0.331041 -0.03362    0.0351947   -0.00173215 127 THR   B C    
1646 O O    . THR   A 115 ? 0.29149  0.321242 0.361207 -0.0399669  0.0446993   0.00273293  127 THR   B O    
1647 C CB   . THR   A 115 ? 0.262259 0.315462 0.296938 -0.0211125  0.0250627   -0.0169849  127 THR   B CB   
1648 O OG1  . THR   A 115 ? 0.245598 0.29378  0.249571 -0.00732992 0.0208449   -0.0148469  127 THR   B OG1  
1649 C CG2  . THR   A 115 ? 0.264798 0.314636 0.306029 -0.0278021  0.0189233   -0.028916   127 THR   B CG2  
1650 H H    . THR   A 115 ? 0.315276 0.367956 0.34237  -0.0136248  0.0417821   0.00469379  127 THR   B H    
1651 H HA   . THR   A 115 ? 0.287894 0.303581 0.294808 -0.017938   0.025485    -0.00349614 127 THR   B HA   
1652 H HB   . THR   A 115 ? 0.261605 0.333416 0.315145 -0.0236075  0.0286608   -0.018585   127 THR   B HB   
1654 H HG21 . THR   A 115 ? 0.263142 0.327927 0.306594 -0.025529   0.014527    -0.0371438  127 THR   B HG21 
1655 H HG22 . THR   A 115 ? 0.264586 0.298912 0.28849  -0.0249321  0.0167559   -0.0273201  127 THR   B HG22 
1656 H HG23 . THR   A 115 ? 0.261619 0.309546 0.321799 -0.0366204  0.0218818   -0.0302878  127 THR   B HG23 
1657 N N    . LEU   A 116 ? 0.271184 0.276257 0.318247 -0.0363153  0.0298765   -0.00510443 128 LEU   B N    
1658 C CA   . LEU   A 116 ? 0.307294 0.299304 0.373855 -0.0442681  0.0326177   -0.0040557  128 LEU   B CA   
1659 C C    . LEU   A 116 ? 0.317146 0.312843 0.400011 -0.0511207  0.0290898   -0.0198233  128 LEU   B C    
1660 O O    . LEU   A 116 ? 0.31771  0.316247 0.38696  -0.047399   0.0235429   -0.0278794  128 LEU   B O    
1661 C CB   . LEU   A 116 ? 0.301156 0.271437 0.352344 -0.0380469  0.0289638   0.00547098  128 LEU   B CB   
1662 C CG   . LEU   A 116 ? 0.324547 0.287521 0.350439 -0.028482   0.0299433   0.0193026   128 LEU   B CG   
1663 C CD1  . LEU   A 116 ? 0.364577 0.307561 0.383749 -0.0236499  0.0243879   0.0266511   128 LEU   B CD1  
1664 C CD2  . LEU   A 116 ? 0.317337 0.285201 0.344333 -0.0285447  0.0421548   0.0301627   128 LEU   B CD2  
1665 H H    . LEU   A 116 ? 0.277346 0.278782 0.310662 -0.0323488  0.0248071   -0.00827887 128 LEU   B H    
1666 H HA   . LEU   A 116 ? 0.307411 0.301893 0.387077 -0.048603   0.0394517   0.0004154   128 LEU   B HA   
1667 H HB2  . LEU   A 116 ? 0.300434 0.269293 0.344993 -0.0361662  0.0233383   -0.00015381 128 LEU   B HB2  
1668 H HB3  . LEU   A 116 ? 0.312048 0.27338  0.376523 -0.0415212  0.0310196   0.0072671   128 LEU   B HB3  
1669 H HG   . LEU   A 116 ? 0.320124 0.286281 0.330315 -0.0236028  0.0256433   0.0164881   128 LEU   B HG   
1670 H HD11 . LEU   A 116 ? 0.347511 0.289568 0.369637 -0.0239931  0.0178201   0.0197795   128 LEU   B HD11 
1671 H HD12 . LEU   A 116 ? 0.365949 0.303208 0.364996 -0.0163507  0.0226912   0.0336714   128 LEU   B HD12 
1672 H HD13 . LEU   A 116 ? 0.362697 0.299277 0.39469  -0.0267952  0.0289874   0.0309336   128 LEU   B HD13 
1673 H HD21 . LEU   A 116 ? 0.315781 0.299993 0.350211 -0.0307842  0.0449314   0.0249405   128 LEU   B HD21 
1674 H HD22 . LEU   A 116 ? 0.33034  0.291814 0.372053 -0.033918   0.0476193   0.0341476   128 LEU   B HD22 
1675 H HD23 . LEU   A 116 ? 0.334751 0.295454 0.340432 -0.0205851  0.0421462   0.0380981   128 LEU   B HD23 
1676 N N    . PHE   A 117 ? 0.329639 0.322209 0.439714 -0.060872   0.0338338   -0.023809   129 PHE   B N    
1677 C CA   . PHE   A 117 ? 0.304247 0.29366  0.428829 -0.0664405  0.0314334   -0.0390112  129 PHE   B CA   
1678 C C    . PHE   A 117 ? 0.306699 0.272191 0.441146 -0.0668071  0.0343645   -0.0335901  129 PHE   B C    
1679 O O    . PHE   A 117 ? 0.336083 0.288268 0.476694 -0.0676666  0.0399675   -0.0204413  129 PHE   B O    
1680 C CB   . PHE   A 117 ? 0.308456 0.313714 0.457736 -0.0768001  0.0324486   -0.052185   129 PHE   B CB   
1681 C CG   . PHE   A 117 ? 0.325184 0.323909 0.487276 -0.082082   0.0298925   -0.0700171  129 PHE   B CG   
1682 C CD1  . PHE   A 117 ? 0.333245 0.341548 0.479649 -0.0774182  0.0228081   -0.0849076  129 PHE   B CD1  
1683 C CD2  . PHE   A 117 ? 0.366261 0.345894 0.552448 -0.0901712  0.0356831   -0.0714674  129 PHE   B CD2  
1684 C CE1  . PHE   A 117 ? 0.367231 0.369092 0.520607 -0.0804547  0.021466    -0.102697   129 PHE   B CE1  
1685 C CE2  . PHE   A 117 ? 0.396106 0.367563 0.59171  -0.0931635  0.0335961   -0.0898089  129 PHE   B CE2  
1686 C CZ   . PHE   A 117 ? 0.376289 0.360119 0.55483  -0.0881456  0.0265539   -0.106219   129 PHE   B CZ   
1687 H H    . PHE   A 117 ? 0.328558 0.319399 0.447605 -0.0639913  0.0396532   -0.0168422  129 PHE   B H    
1688 H HA   . PHE   A 117 ? 0.303098 0.296128 0.414212 -0.0621611  0.0269738   -0.044919   129 PHE   B HA   
1689 H HB2  . PHE   A 117 ? 0.305239 0.32787  0.447673 -0.0741757  0.0285563   -0.0564914  129 PHE   B HB2  
1690 H HB3  . PHE   A 117 ? 0.317167 0.319429 0.481002 -0.0821918  0.0387523   -0.0453753  129 PHE   B HB3  
1691 H HD1  . PHE   A 117 ? 0.330597 0.348705 0.459248 -0.0712922  0.019426    -0.0829217  129 PHE   B HD1  
1692 H HD2  . PHE   A 117 ? 0.369849 0.339577 0.563559 -0.0924492  0.0416274   -0.0596321  129 PHE   B HD2  
1693 H HE1  . PHE   A 117 ? 0.363434 0.370915 0.501745 -0.0760737  0.0177732   -0.111803   129 PHE   B HE1  
1694 H HE2  . PHE   A 117 ? 0.398815 0.354698 0.61072  -0.0979711  0.0376931   -0.0911183  129 PHE   B HE2  
1695 H HZ   . PHE   A 117 ? 0.38848  0.366637 0.571176 -0.0894193  0.025914    -0.119414   129 PHE   B HZ   
1696 N N    . PHE   A 118 ? 0.341264 0.300722 0.475714 -0.0643155  0.0313972   -0.042822   130 PHE   B N    
1697 C CA   . PHE   A 118 ? 0.362304 0.301856 0.510818 -0.0626611  0.0333723   -0.0408604  130 PHE   B CA   
1698 C C    . PHE   A 118 ? 0.352284 0.290253 0.514307 -0.0658023  0.0344586   -0.05999    130 PHE   B C    
1699 O O    . PHE   A 118 ? 0.350053 0.300243 0.500482 -0.0644026  0.0325483   -0.0716808  130 PHE   B O    
1700 C CB   . PHE   A 118 ? 0.361456 0.29628  0.497671 -0.0524127  0.0285893   -0.0319761  130 PHE   B CB   
1701 C CG   . PHE   A 118 ? 0.381561 0.310909 0.501936 -0.046098   0.0257246   -0.0136804  130 PHE   B CG   
1702 C CD1  . PHE   A 118 ? 0.418999 0.329617 0.543223 -0.0409999  0.0263171   -0.00051603 130 PHE   B CD1  
1703 C CD2  . PHE   A 118 ? 0.369866 0.30983  0.467447 -0.0431486  0.022241    -0.00979104 130 PHE   B CD2  
1704 C CE1  . PHE   A 118 ? 0.447286 0.351619 0.549957 -0.0327165  0.0229409   0.0156672   130 PHE   B CE1  
1705 C CE2  . PHE   A 118 ? 0.379629 0.31293  0.458725 -0.0358131  0.0191997   0.00468489  130 PHE   B CE2  
1706 C CZ   . PHE   A 118 ? 0.402943 0.319308 0.483102 -0.030328   0.0191097   0.0170474   130 PHE   B CZ   
1707 H H    . PHE   A 118 ? 0.328129 0.296005 0.453371 -0.0626805  0.0287229   -0.0503475  130 PHE   B H    
1708 H HA   . PHE   A 118 ? 0.367913 0.297331 0.525478 -0.0651991  0.0371436   -0.0333259  130 PHE   B HA   
1709 H HB2  . PHE   A 118 ? 0.355046 0.299462 0.481943 -0.0513699  0.0266539   -0.0377908  130 PHE   B HB2  
1710 H HB3  . PHE   A 118 ? 0.370232 0.29593  0.518329 -0.050112   0.0289812   -0.0339846  130 PHE   B HB3  
1711 H HD1  . PHE   A 118 ? 0.426843 0.327242 0.565955 -0.0418686  0.0288316   -0.00259729 130 PHE   B HD1  
1712 H HD2  . PHE   A 118 ? 0.361792 0.311782 0.454285 -0.0450482  0.0218624   -0.0172224  130 PHE   B HD2  
1713 H HE1  . PHE   A 118 ? 0.450788 0.340854 0.552296 -0.0276591  0.0231626   0.0254316   130 PHE   B HE1  
1714 H HE2  . PHE   A 118 ? 0.377075 0.31588  0.44036  -0.0333724  0.0169738   0.00592955  130 PHE   B HE2  
1715 H HZ   . PHE   A 118 ? 0.416601 0.327908 0.480168 -0.0242206  0.0169329   0.0265942   130 PHE   B HZ   
1716 N N    . GLU   A 119 ? 0.351096 0.270532 0.534177 -0.0683828  0.0384837   -0.062378   131 GLU   B N    
1717 C CA   . GLU   A 119 ? 0.356301 0.268629 0.550056 -0.0664539  0.0400777   -0.0786311  131 GLU   B CA   
1718 C C    . GLU   A 119 ? 0.396326 0.295781 0.596169 -0.0552467  0.0400879   -0.0696469  131 GLU   B C    
1719 O O    . GLU   A 119 ? 0.40558  0.287208 0.612361 -0.0514155  0.0402482   -0.0549446  131 GLU   B O    
1720 C CB   . GLU   A 119 ? 0.364556 0.263998 0.579393 -0.0761269  0.0436865   -0.0918378  131 GLU   B CB   
1721 C CG   . GLU   A 119 ? 0.377764 0.26551  0.602525 -0.0726146  0.0462189   -0.11039    131 GLU   B CG   
1722 C CD   . GLU   A 119 ? 0.384371 0.259173 0.628    -0.0835772  0.0480227   -0.128788   131 GLU   B CD   
1723 O OE1  . GLU   A 119 ? 0.363543 0.253285 0.6039   -0.0910488  0.0437525   -0.147288   131 GLU   B OE1  
1724 O OE2  . GLU   A 119 ? 0.416543 0.263861 0.678867 -0.0843255  0.0530311   -0.123581   131 GLU   B OE2  
1725 H H    . GLU   A 119 ? 0.36374  0.273301 0.553841 -0.0708389  0.0412744   -0.053657   131 GLU   B H    
1726 H HA   . GLU   A 119 ? 0.354273 0.279357 0.537248 -0.0655155  0.0387035   -0.0878663  131 GLU   B HA   
1727 H HB2  . GLU   A 119 ? 0.363664 0.275903 0.576713 -0.0828575  0.0417276   -0.0995106  131 GLU   B HB2  
1728 H HB3  . GLU   A 119 ? 0.376565 0.261698 0.601001 -0.0780972  0.0466881   -0.081117   131 GLU   B HB3  
1729 H HG2  . GLU   A 119 ? 0.379587 0.254534 0.610741 -0.0655659  0.0481512   -0.102954   131 GLU   B HG2  
1730 H HG3  . GLU   A 119 ? 0.366316 0.267105 0.578628 -0.0691913  0.0450303   -0.118749   131 GLU   B HG3  
1731 N N    . ILE   A 120 ? 0.405922 0.315058 0.603718 -0.0491552  0.0404471   -0.0787002  132 ILE   B N    
1732 C CA   . ILE   A 120 ? 0.411908 0.317418 0.621461 -0.0381708  0.0392396   -0.0730805  132 ILE   B CA   
1733 C C    . ILE   A 120 ? 0.411171 0.313892 0.637674 -0.0333276  0.0458651   -0.0898566  132 ILE   B C    
1734 O O    . ILE   A 120 ? 0.399563 0.314907 0.617728 -0.0354304  0.0513041   -0.103684   132 ILE   B O    
1735 C CB   . ILE   A 120 ? 0.37661  0.300206 0.573364 -0.035211   0.0346731   -0.0658257  132 ILE   B CB   
1736 C CG1  . ILE   A 120 ? 0.361473 0.285445 0.539114 -0.0375298  0.0284338   -0.0503972  132 ILE   B CG1  
1737 C CG2  . ILE   A 120 ? 0.385886 0.312206 0.601978 -0.0245498  0.0314956   -0.0631028  132 ILE   B CG2  
1738 C CD1  . ILE   A 120 ? 0.351953 0.289748 0.513612 -0.0361765  0.0235109   -0.0454883  132 ILE   B CD1  
1739 H H    . ILE   A 120 ? 0.398102 0.317196 0.587697 -0.0515984  0.0417666   -0.0885924  132 ILE   B H    
1740 H HA   . ILE   A 120 ? 0.413978 0.306701 0.629211 -0.0349733  0.036964    -0.062769   132 ILE   B HA   
1741 H HB   . ILE   A 120 ? 0.373775 0.307266 0.562555 -0.0383866  0.0383296   -0.0742708  132 ILE   B HB   
1742 H HG12 . ILE   A 120 ? 0.373457 0.286536 0.5554   -0.0333698  0.0255834   -0.0408415  132 ILE   B HG12 
1743 H HG13 . ILE   A 120 ? 0.364519 0.288944 0.535452 -0.0437574  0.0307593   -0.0530253  132 ILE   B HG13 
1744 H HG21 . ILE   A 120 ? 0.374025 0.31026  0.584225 -0.023912   0.0271104   -0.0580823  132 ILE   B HG21 
1745 H HG22 . ILE   A 120 ? 0.39424  0.308378 0.617925 -0.0192482  0.0279895   -0.0560978  132 ILE   B HG22 
1746 H HG23 . ILE   A 120 ? 0.385707 0.316165 0.612895 -0.0231256  0.0373458   -0.0737862  132 ILE   B HG23 
1747 H HD11 . ILE   A 120 ? 0.345404 0.291387 0.503364 -0.0390039  0.0275561   -0.0538012  132 ILE   B HD11 
1748 H HD12 . ILE   A 120 ? 0.348378 0.285823 0.495484 -0.0377544  0.021046    -0.0382917  132 ILE   B HD12 
1749 H HD13 . ILE   A 120 ? 0.35173  0.289854 0.52134  -0.030558   0.0189732   -0.0415933  132 ILE   B HD13 
1750 N N    . GLU   A 121 ? 0.405438 0.291498 0.652873 -0.024102   0.045656    -0.0865826  133 GLU   B N    
1751 C CA   . GLU   A 121 ? 0.380232 0.265922 0.648051 -0.0143406  0.051452    -0.099459   133 GLU   B CA   
1752 C C    . GLU   A 121 ? 0.376598 0.277661 0.65971  -0.00236012 0.0465662   -0.0912998  133 GLU   B C    
1753 O O    . GLU   A 121 ? 0.359687 0.254293 0.648033 0.00584033  0.0367349   -0.0759542  133 GLU   B O    
1754 C CB   . GLU   A 121 ? 0.381533 0.236899 0.665668 -0.00997256 0.0542703   -0.103575   133 GLU   B CB   
1755 C CG   . GLU   A 121 ? 0.390292 0.244089 0.693289 0.00027161  0.0625418   -0.121842   133 GLU   B CG   
1756 C CD   . GLU   A 121 ? 0.412743 0.231567 0.731928 0.00627837  0.0657594   -0.127571   133 GLU   B CD   
1757 O OE1  . GLU   A 121 ? 0.412937 0.20656  0.728095 -0.002328   0.064256    -0.121371   133 GLU   B OE1  
1758 O OE2  . GLU   A 121 ? 0.419436 0.23535  0.757868 0.0204385   0.0707126   -0.137194   133 GLU   B OE2  
1759 H H    . GLU   A 121 ? 0.40917  0.282995 0.6575   -0.0227846  0.0422841   -0.0753552  133 GLU   B H    
1760 H HA   . GLU   A 121 ? 0.380108 0.275087 0.641994 -0.0178766  0.0573175   -0.11223    133 GLU   B HA   
1761 H HB2  . GLU   A 121 ? 0.392013 0.237813 0.669342 -0.019416   0.0558955   -0.107913   133 GLU   B HB2  
1762 H HB3  . GLU   A 121 ? 0.392737 0.237353 0.681764 -0.00389347 0.0493745   -0.0898445  133 GLU   B HB3  
1763 H HG2  . GLU   A 121 ? 0.382168 0.249082 0.695985 0.00925387  0.061198    -0.11791    133 GLU   B HG2  
1764 H HG3  . GLU   A 121 ? 0.385703 0.249157 0.679768 -0.00492872 0.0680152   -0.135137   133 GLU   B HG3  
1765 N N    . LEU   A 122 ? 0.397549 0.319499 0.689957 -0.00031729 0.0540655   -0.103064   134 LEU   B N    
1766 C CA   . LEU   A 122 ? 0.375992 0.316926 0.693932 0.0100598   0.0506985   -0.100005   134 LEU   B CA   
1767 C C    . LEU   A 122 ? 0.399896 0.334596 0.7484   0.0248257   0.0553164   -0.109079   134 LEU   B C    
1768 O O    . LEU   A 122 ? 0.411346 0.351378 0.767595 0.025981    0.06939     -0.125534   134 LEU   B O    
1769 C CB   . LEU   A 122 ? 0.355991 0.323652 0.672808 0.0032069   0.0597141   -0.106867   134 LEU   B CB   
1770 C CG   . LEU   A 122 ? 0.341517 0.335133 0.6915   0.00982803  0.0569266   -0.105759   134 LEU   B CG   
1771 C CD1  . LEU   A 122 ? 0.337511 0.331523 0.690111 0.0145804   0.0357824   -0.0902353  134 LEU   B CD1  
1772 C CD2  . LEU   A 122 ? 0.315568 0.329859 0.660908 -0.00124026 0.0695331   -0.110707   134 LEU   B CD2  
1773 H H    . LEU   A 122 ? 0.386986 0.312281 0.670349 -0.00539147 0.0616455   -0.113363   134 LEU   B H    
1774 H HA   . LEU   A 122 ? 0.374444 0.314625 0.690859 0.0125014   0.039743    -0.0876909  134 LEU   B HA   
1775 H HB2  . LEU   A 122 ? 0.345842 0.31417  0.641153 -0.00522023 0.0568967   -0.10124    134 LEU   B HB2  
1776 H HB3  . LEU   A 122 ? 0.363266 0.330474 0.6778   0.00217559  0.0713021   -0.118446   134 LEU   B HB3  
1777 H HG   . LEU   A 122 ? 0.350024 0.346194 0.723239 0.0190806   0.0612803   -0.112725   134 LEU   B HG   
1778 H HD11 . LEU   A 122 ? 0.349363 0.332057 0.710392 0.0246662   0.029715    -0.0869998  134 LEU   B HD11 
1779 H HD12 . LEU   A 122 ? 0.33017  0.343835 0.700905 0.0152633   0.0327304   -0.0911267  134 LEU   B HD12 
1780 H HD13 . LEU   A 122 ? 0.331913 0.317394 0.658974 0.00745444  0.0316808   -0.0831469  134 LEU   B HD13 
1781 H HD21 . LEU   A 122 ? 0.328006 0.33852  0.662579 -0.00347002 0.0822987   -0.11905    134 LEU   B HD21 
1782 H HD22 . LEU   A 122 ? 0.311372 0.323549 0.636832 -0.00863854 0.0638785   -0.103326   134 LEU   B HD22 
1783 H HD23 . LEU   A 122 ? 0.317345 0.349915 0.690085 0.00175573  0.0708376   -0.112946   134 LEU   B HD23 
1784 N N    . LEU   A 123 ? 0.425405 0.350939 0.789755 0.038328    0.0432236   -0.0977389  135 LEU   B N    
1785 C CA   . LEU   A 123 ? 0.445652 0.362582 0.839775 0.0565094   0.0447418   -0.103478   135 LEU   B CA   
1786 C C    . LEU   A 123 ? 0.45013  0.403637 0.881259 0.0669888   0.0458017   -0.111038   135 LEU   B C    
1787 O O    . LEU   A 123 ? 0.434609 0.392921 0.8922   0.0780906   0.0567765   -0.125057   135 LEU   B O    
1788 C CB   . LEU   A 123 ? 0.453422 0.34386  0.844155 0.0685845   0.0299792   -0.0848365  135 LEU   B CB   
1789 C CG   . LEU   A 123 ? 0.455793 0.312996 0.814179 0.0571934   0.0294016   -0.0728343  135 LEU   B CG   
1790 C CD1  . LEU   A 123 ? 0.475681 0.302293 0.828583 0.0711813   0.0190218   -0.0524083  135 LEU   B CD1  
1791 C CD2  . LEU   A 123 ? 0.472867 0.310364 0.828087 0.0472784   0.0440483   -0.0890494  135 LEU   B CD2  
1792 H H    . LEU   A 123 ? 0.415914 0.340057 0.770576 0.0376081   0.0332466   -0.0855947  135 LEU   B H    
1793 H HA   . LEU   A 123 ? 0.458316 0.361586 0.850415 0.0549044   0.0549106   -0.11442    135 LEU   B HA   
1794 H HB2  . LEU   A 123 ? 0.446216 0.352356 0.840947 0.0733863   0.0188859   -0.0764648  135 LEU   B HB2  
1795 H HB3  . LEU   A 123 ? 0.474462 0.353846 0.882614 0.0816216   0.0314379   -0.0883504  135 LEU   B HB3  
1796 H HG   . LEU   A 123 ? 0.437339 0.306473 0.779033 0.0464995   0.0268732   -0.0683904  135 LEU   B HG   
1797 H HD11 . LEU   A 123 ? 0.476243 0.317061 0.834116 0.0814144   0.0079904   -0.0452017  135 LEU   B HD11 
1798 H HD12 . LEU   A 123 ? 0.481153 0.293118 0.813128 0.0619055   0.0195546   -0.0430558  135 LEU   B HD12 
1799 H HD13 . LEU   A 123 ? 0.501917 0.308668 0.866664 0.0798206   0.0231616   -0.055928   135 LEU   B HD13 
1800 H HD21 . LEU   A 123 ? 0.453683 0.307363 0.800571 0.0364168   0.0491607   -0.0980261  135 LEU   B HD21 
1801 H HD22 . LEU   A 123 ? 0.486338 0.318422 0.859372 0.0572786   0.0485119   -0.0982255  135 LEU   B HD22 
1802 H HD23 . LEU   A 123 ? 0.484441 0.298023 0.827974 0.0421327   0.0439672   -0.0819905  135 LEU   B HD23 
1803 N N    . ASP   A 124 ? 0.41751  0.396988 0.854452 0.0647606   0.0336385   -0.102354   136 ASP   B N    
1804 C CA   . ASP   A 124 ? 0.420951 0.43782  0.901784 0.0740458   0.0325599   -0.109831   136 ASP   B CA   
1805 C C    . ASP   A 124 ? 0.377148 0.419638 0.858197 0.0644856   0.019947    -0.103032   136 ASP   B C    
1806 O O    . ASP   A 124 ? 0.337355 0.363646 0.783862 0.0574254   0.00882826  -0.0904238  136 ASP   B O    
1807 C CB   . ASP   A 124 ? 0.452721 0.466432 0.964154 0.0994366   0.0198508   -0.107023   136 ASP   B CB   
1808 C CG   . ASP   A 124 ? 0.43866  0.489309 1.00498  0.113239    0.0248785   -0.120892   136 ASP   B CG   
1809 O OD1  . ASP   A 124 ? 0.430648 0.50932  1.01303  0.101544    0.0425218   -0.133371   136 ASP   B OD1  
1810 O OD2  . ASP   A 124 ? 0.469277 0.519396 1.06152  0.1367      0.0122355   -0.118442   136 ASP   B OD2  
1811 H H    . ASP   A 124 ? 0.414938 0.389649 0.830776 0.0575326   0.0261888   -0.0929662  136 ASP   B H    
1812 H HA   . ASP   A 124 ? 0.414121 0.441905 0.905056 0.0703993   0.0484453   -0.121725   136 ASP   B HA   
1813 H HB2  . ASP   A 124 ? 0.465095 0.450564 0.965718 0.104889    0.0236449   -0.106307   136 ASP   B HB2  
1814 H HB3  . ASP   A 124 ? 0.447705 0.460768 0.953278 0.103776    0.0029239   -0.0957167  136 ASP   B HB3  
1815 N N    . PHE   A 125 ? 0.379491 0.461428 0.902462 0.064957    0.0220229   -0.112276   137 PHE   B N    
1816 C CA   . PHE   A 125 ? 0.364131 0.471771 0.89846  0.0582377   0.00611354  -0.108644   137 PHE   B CA   
1817 C C    . PHE   A 125 ? 0.364373 0.515695 0.962373 0.0679099   0.0023764   -0.119871   137 PHE   B C    
1818 O O    . PHE   A 125 ? 0.357278 0.527556 0.98848  0.0691282   0.0233323   -0.13248    137 PHE   B O    
1819 C CB   . PHE   A 125 ? 0.335981 0.442229 0.840177 0.0341927   0.0171487   -0.107709   137 PHE   B CB   
1820 C CG   . PHE   A 125 ? 0.323667 0.440888 0.835046 0.0221691   0.0465934   -0.119059   137 PHE   B CG   
1821 C CD1  . PHE   A 125 ? 0.325362 0.420392 0.810975 0.0221111   0.0649591   -0.123367   137 PHE   B CD1  
1822 C CD2  . PHE   A 125 ? 0.323421 0.47196  0.86587  0.0106188   0.056541    -0.12575    137 PHE   B CD2  
1823 C CE1  . PHE   A 125 ? 0.333406 0.436964 0.818706 0.0139162   0.0918815   -0.133477   137 PHE   B CE1  
1824 C CE2  . PHE   A 125 ? 0.321351 0.477214 0.866295 0.00098024  0.0868736   -0.133892   137 PHE   B CE2  
1825 C CZ   . PHE   A 125 ? 0.329548 0.462625 0.842692 0.00393705  0.104246    -0.137368   137 PHE   B CZ   
1826 H H    . PHE   A 125 ? 0.380023 0.473285 0.926421 0.0691061   0.0342617   -0.122045   137 PHE   B H    
1827 H HA   . PHE   A 125 ? 0.368158 0.462694 0.886315 0.064971    -0.0115393  -0.0987094  137 PHE   B HA   
1828 H HB2  . PHE   A 125 ? 0.329814 0.450837 0.84291  0.0299339   0.00602993  -0.106357   137 PHE   B HB2  
1829 H HB3  . PHE   A 125 ? 0.337858 0.419144 0.805069 0.0310327   0.0150081   -0.100008   137 PHE   B HB3  
1830 H HD1  . PHE   A 125 ? 0.335461 0.408812 0.803181 0.0280271   0.0592183   -0.119802   137 PHE   B HD1  
1831 H HD2  . PHE   A 125 ? 0.315446 0.480281 0.878359 0.00962937  0.0431951   -0.125103   137 PHE   B HD2  
1832 H HE1  . PHE   A 125 ? 0.342393 0.430628 0.80778  0.0151142   0.102282    -0.1378     137 PHE   B HE1  
1833 H HE2  . PHE   A 125 ? 0.319059 0.494735 0.886246 -0.00773707 0.0955274   -0.137203   137 PHE   B HE2  
1834 H HZ   . PHE   A 125 ? 0.336559 0.473139 0.845939 -0.00123636 0.12446     -0.142546   137 PHE   B HZ   
1835 N N    . LYS   A 126 ? 0.375882 0.544036 0.99088  0.0765254   -0.0254311  -0.115921   138 LYS   B N    
1836 C CA   . LYS   A 126 ? 0.374474 0.58866  1.05449  0.0876849   -0.0365528  -0.127047   138 LYS   B CA   
1837 C C    . LYS   A 126 ? 0.353752 0.59613  1.04867  0.0702573   -0.0485389  -0.131246   138 LYS   B C    
1838 O O    . LYS   A 126 ? 0.311086 0.532142 0.961265 0.0589487   -0.0582501  -0.122445   138 LYS   B O    
1839 C CB   . LYS   A 126 ? 0.381853 0.591115 1.07245  0.118486    -0.0622325  -0.121206   138 LYS   B CB   
1840 H H    . LYS   A 126 ? 0.375194 0.526478 0.959886 0.0758319   -0.0386801  -0.106522   138 LYS   B H    
1841 H HA   . LYS   A 126 ? 0.367714 0.597621 1.07615  0.0864335   -0.0174674  -0.136625   138 LYS   B HA   
1844 N N    . GLY   A 127 ? 0.357137 0.647952 1.11762  0.0667961   -0.0464538  -0.146023   139 GLY   B N    
1845 C CA   . GLY   A 127 ? 0.347655 0.664037 1.12787  0.0486341   -0.0584676  -0.152305   139 GLY   B CA   
1846 C C    . GLY   A 127 ? 0.394129 0.721881 1.18059  0.0653082   -0.101058   -0.151661   139 GLY   B C    
1847 O O    . GLY   A 127 ? 0.431159 0.77773  1.25059  0.0908462   -0.118074   -0.154551   139 GLY   B O    
1848 H H    . GLY   A 127 ? 0.357208 0.66539  1.1521   0.0753672   -0.0370181  -0.152967   139 GLY   B H    
1849 H HA2  . GLY   A 127 ? 0.349046 0.643232 1.09116  0.0330201   -0.0506763  -0.146746   139 GLY   B HA2  
1850 H HA3  . GLY   A 127 ? 0.349234 0.697518 1.17694  0.0410275   -0.0460108  -0.163251   139 GLY   B HA3  
1851 N N    . GLU   A 128 ? 0.424628 0.740002 1.17727  0.0528825   -0.118519   -0.148428   140 GLU   B N    
1852 C CA   . GLU   A 128 ? 0.454396 0.785184 1.21346  0.0658253   -0.159555   -0.151919   140 GLU   B CA   
1853 C C    . GLU   A 128 ? 0.469212 0.856086 1.31092  0.0810931   -0.174503   -0.168219   140 GLU   B C    
1854 O O    . GLU   A 128 ? 0.469069 0.892984 1.37217  0.0649851   -0.152887   -0.182334   140 GLU   B O    
1855 C CB   . GLU   A 128 ? 0.427075 0.756444 1.16995  0.0432619   -0.170205   -0.157373   140 GLU   B CB   
1856 O OXT  . GLU   A 128 ? 0.494214 0.885771 1.33623  0.110223    -0.205654   -0.165409   140 GLU   B OXT  
1857 H H    . GLU   A 128 ? 0.411545 0.707641 1.13454  0.0369277   -0.104739   -0.144481   140 GLU   B H    
1858 H HA   . GLU   A 128 ? 0.462584 0.766924 1.18137  0.0821583   -0.171829   -0.140085   140 GLU   B HA   
1861 N N    . GLY   B 1   ? 0.891727 1.09256  0.739681 0.375602    0.0992926   -0.170726   13  GLY   A N    
1862 C CA   . GLY   B 1   ? 0.87739  1.01971  0.736879 0.351395    0.0765586   -0.157858   13  GLY   A CA   
1863 C C    . GLY   B 1   ? 0.87861  0.997159 0.70129  0.335851    0.0701888   -0.153291   13  GLY   A C    
1864 O O    . GLY   B 1   ? 0.875002 1.02394  0.665107 0.334789    0.0858123   -0.145474   13  GLY   A O    
1865 H H1   . GLY   B 1   ? 0.896376 1.11121  0.769334 0.386465    0.101709    -0.175357   13  GLY   A H1   
1866 H H2   . GLY   B 1   ? 0.884963 1.11252  0.722338 0.364847    0.114588    -0.151971   13  GLY   A H2   
1867 H H3   . GLY   B 1   ? 0.923532 1.12216  0.750561 0.390882    0.0958969   -0.192856   13  GLY   A H3   
1868 H HA2  . GLY   B 1   ? 0.886559 1.001    0.76157  0.361736    0.0606397   -0.174552   13  GLY   A HA2  
1869 H HA3  . GLY   B 1   ? 0.84551  0.993168 0.724039 0.335088    0.0807175   -0.135134   13  GLY   A HA3  
1870 N N    . ALA   B 2   ? 0.814356 0.880018 0.644598 0.32345     0.0466382   -0.155739   14  ALA   A N    
1871 C CA   . ALA   B 2   ? 0.795721 0.840516 0.600822 0.305553    0.0395728   -0.147047   14  ALA   A CA   
1872 C C    . ALA   B 2   ? 0.707642 0.77247  0.508834 0.281949    0.0569235   -0.111001   14  ALA   A C    
1873 O O    . ALA   B 2   ? 0.651745 0.727092 0.423839 0.276832    0.0635917   -0.10189    14  ALA   A O    
1874 C CB   . ALA   B 2   ? 0.811825 0.803343 0.635264 0.292975    0.0142265   -0.150832   14  ALA   A CB   
1875 H H    . ALA   B 2   ? 0.824457 0.868381 0.67736  0.326336    0.0349231   -0.16182    14  ALA   A H    
1876 H HA   . ALA   B 2   ? 0.817094 0.872326 0.596103 0.317962    0.0402322   -0.162663   14  ALA   A HA   
1877 H HB1  . ALA   B 2   ? 0.829406 0.805512 0.658638 0.307391    0.00253984  -0.17355    14  ALA   A HB1  
1878 H HB2  . ALA   B 2   ? 0.781449 0.765272 0.626898 0.280876    0.0138224   -0.134501   14  ALA   A HB2  
1879 H HB3  . ALA   B 2   ? 0.801005 0.782346 0.609674 0.282433    0.00961927  -0.146625   14  ALA   A HB3  
1880 N N    . PRO   B 3   ? 0.658414 0.729083 0.489625 0.267337    0.0634529   -0.0897895  15  PRO   A N    
1881 C CA   . PRO   B 3   ? 0.62055  0.704448 0.45166  0.243859    0.0773235   -0.0596386  15  PRO   A CA   
1882 C C    . PRO   B 3   ? 0.633165 0.7586   0.440316 0.249536    0.0992545   -0.050478   15  PRO   A C    
1883 O O    . PRO   B 3   ? 0.661187 0.783241 0.449183 0.237249    0.103651    -0.0339961  15  PRO   A O    
1884 C CB   . PRO   B 3   ? 0.613349 0.702545 0.481184 0.232563    0.0782544   -0.0468731  15  PRO   A CB   
1885 C CG   . PRO   B 3   ? 0.618478 0.678749 0.503584 0.244174    0.0578589   -0.0647528  15  PRO   A CG   
1886 C CD   . PRO   B 3   ? 0.639718 0.703045 0.506915 0.272091    0.0554919   -0.0935458  15  PRO   A CD   
1887 H HA   . PRO   B 3   ? 0.61691  0.676897 0.441533 0.231779    0.0692501   -0.0544113  15  PRO   A HA   
1888 H HB2  . PRO   B 3   ? 0.610159 0.731405 0.48605  0.237713    0.0911887   -0.0431794  15  PRO   A HB2  
1889 H HB3  . PRO   B 3   ? 0.588921 0.66775  0.461413 0.213706    0.0776251   -0.0319963  15  PRO   A HB3  
1890 H HG2  . PRO   B 3   ? 0.608709 0.679832 0.516216 0.24571     0.0583069   -0.0609529  15  PRO   A HG2  
1891 H HG3  . PRO   B 3   ? 0.607544 0.638429 0.492691 0.232883    0.0459462   -0.0619248  15  PRO   A HG3  
1892 H HD2  . PRO   B 3   ? 0.658264 0.749387 0.532336 0.28652     0.0648982   -0.0996415  15  PRO   A HD2  
1893 H HD3  . PRO   B 3   ? 0.659493 0.693576 0.531956 0.277297    0.0394752   -0.106795   15  PRO   A HD3  
1894 N N    . ALA   B 4   ? 0.613328 0.778826 0.421248 0.269754    0.112704    -0.0608874  16  ALA   A N    
1895 C CA   . ALA   B 4   ? 0.610442 0.823038 0.395963 0.274744    0.13629     -0.0488107  16  ALA   A CA   
1896 C C    . ALA   B 4   ? 0.646505 0.855581 0.385704 0.285677    0.132369    -0.0582877  16  ALA   A C    
1897 O O    . ALA   B 4   ? 0.636265 0.868962 0.351758 0.279827    0.147066    -0.0362362  16  ALA   A O    
1898 C CB   . ALA   B 4   ? 0.639663 0.901197 0.436565 0.296692    0.151908    -0.0614628  16  ALA   A CB   
1899 H H    . ALA   B 4   ? 0.620869 0.785953 0.444526 0.281024    0.107566    -0.0748587  16  ALA   A H    
1900 H HA   . ALA   B 4   ? 0.60235  0.820086 0.396162 0.256089    0.144996    -0.0245759  16  ALA   A HA   
1901 H HB1  . ALA   B 4   ? 0.616933 0.884067 0.444884 0.290072    0.153499    -0.054671   16  ALA   A HB1  
1902 H HB2  . ALA   B 4   ? 0.655337 0.910085 0.445057 0.316209    0.143067    -0.0872726  16  ALA   A HB2  
1903 H HB3  . ALA   B 4   ? 0.650461 0.94677  0.432187 0.298503    0.169178    -0.050849   16  ALA   A HB3  
1904 N N    . THR   B 5   ? 0.670763 0.8538   0.397695 0.302574    0.112264    -0.090945   17  THR   A N    
1905 C CA   . THR   B 5   ? 0.714701 0.899567 0.39703  0.313962    0.106022    -0.10346    17  THR   A CA   
1906 C C    . THR   B 5   ? 0.720644 0.880891 0.393803 0.29041     0.0999979   -0.0761225  17  THR   A C    
1907 O O    . THR   B 5   ? 0.730569 0.910855 0.369983 0.291621    0.1072      -0.0618647  17  THR   A O    
1908 C CB   . THR   B 5   ? 0.757154 0.913469 0.435707 0.333108    0.0820278   -0.146064   17  THR   A CB   
1909 O OG1  . THR   B 5   ? 0.803779 0.982722 0.497235 0.355955    0.0894431   -0.169251   17  THR   A OG1  
1910 C CG2  . THR   B 5   ? 0.776322 0.939127 0.408285 0.34697     0.0724384   -0.165778   17  THR   A CG2  
1911 H H    . THR   B 5   ? 0.666712 0.831273 0.413489 0.306767    0.101596    -0.105084   17  THR   A H    
1912 H HA   . THR   B 5   ? 0.741617 0.964904 0.404226 0.324573    0.121691    -0.10121    17  THR   A HA   
1913 H HB   . THR   B 5   ? 0.735184 0.854422 0.434478 0.321396    0.0669719   -0.145872   17  THR   A HB   
1915 H HG21 . THR   B 5   ? 0.80167  0.947842 0.435048 0.359619    0.0575552   -0.195856   17  THR   A HG21 
1916 H HG22 . THR   B 5   ? 0.80378  1.00574  0.411915 0.35747     0.0882067   -0.16271    17  THR   A HG22 
1917 H HG23 . THR   B 5   ? 0.771708 0.917604 0.396999 0.332892    0.0648776   -0.151512   17  THR   A HG23 
1918 N N    . VAL   B 6   ? 0.653845 0.773784 0.358088 0.269761    0.0877721   -0.0670237  18  VAL   A N    
1919 C CA   . VAL   B 6   ? 0.626682 0.722613 0.328966 0.249189    0.0819193   -0.044737   18  VAL   A CA   
1920 C C    . VAL   B 6   ? 0.627727 0.748698 0.326444 0.237083    0.10385     -0.00959283 18  VAL   A C    
1921 O O    . VAL   B 6   ? 0.630107 0.751901 0.305589 0.234481    0.104265    0.00645255  18  VAL   A O    
1922 C CB   . VAL   B 6   ? 0.580997 0.63594  0.316648 0.229831    0.0676353   -0.0422444  18  VAL   A CB   
1923 C CG1  . VAL   B 6   ? 0.561671 0.600282 0.298514 0.210157    0.0670936   -0.018329   18  VAL   A CG1  
1924 C CG2  . VAL   B 6   ? 0.578376 0.603517 0.319455 0.237656    0.0440573   -0.0712695  18  VAL   A CG2  
1925 H H    . VAL   B 6   ? 0.646421 0.755024 0.37369  0.269543    0.08299     -0.0752062  18  VAL   A H    
1926 H HA   . VAL   B 6   ? 0.645737 0.737401 0.325794 0.256152    0.0725099   -0.0535632  18  VAL   A HA   
1927 H HB   . VAL   B 6   ? 0.56513  0.625583 0.321659 0.224769    0.0747126   -0.0367058  18  VAL   A HB   
1928 H HG11 . VAL   B 6   ? 0.579839 0.622281 0.294622 0.215989    0.0642803   -0.0176327  18  VAL   A HG11 
1929 H HG12 . VAL   B 6   ? 0.552523 0.601496 0.298023 0.201084    0.0801224   -0.00039249 18  VAL   A HG12 
1930 H HG13 . VAL   B 6   ? 0.545705 0.560694 0.297997 0.201297    0.0561543   -0.0220197  18  VAL   A HG13 
1931 H HG21 . VAL   B 6   ? 0.560403 0.563953 0.322269 0.224709    0.0370865   -0.0664597  18  VAL   A HG21 
1932 H HG22 . VAL   B 6   ? 0.594603 0.627298 0.338388 0.250938    0.0442277   -0.0868279  18  VAL   A HG22 
1933 H HG23 . VAL   B 6   ? 0.59726  0.618308 0.319687 0.242208    0.0354693   -0.0788108  18  VAL   A HG23 
1934 N N    . THR   B 7   ? 0.621032 0.760362 0.346575 0.228719    0.119852    0.00322685  19  THR   A N    
1935 C CA   . THR   B 7   ? 0.671148 0.84002  0.397483 0.218034    0.14231     0.0348593   19  THR   A CA   
1936 C C    . THR   B 7   ? 0.746031 0.949372 0.429079 0.234668    0.152872    0.0402457   19  THR   A C    
1937 O O    . THR   B 7   ? 0.752917 0.952904 0.41832  0.227171    0.155388    0.0648976   19  THR   A O    
1938 C CB   . THR   B 7   ? 0.686317 0.881492 0.447289 0.213286    0.156155    0.0378844   19  THR   A CB   
1939 O OG1  . THR   B 7   ? 0.648727 0.811595 0.44303  0.192679    0.145983    0.0419469   19  THR   A OG1  
1940 C CG2  . THR   B 7   ? 0.729628 0.96654  0.495235 0.204187    0.181823    0.0679294   19  THR   A CG2  
1941 H H    . THR   B 7   ? 0.615473 0.748881 0.36124  0.229005    0.115853    -0.00718027 19  THR   A H    
1942 H HA   . THR   B 7   ? 0.660556 0.808988 0.394729 0.202508    0.139876    0.0507511   19  THR   A HA   
1943 H HB   . THR   B 7   ? 0.690338 0.897349 0.451345 0.229105    0.154266    0.0177253   19  THR   A HB   
1945 H HG21 . THR   B 7   ? 0.704628 0.953187 0.4991   0.19628     0.18754     0.0710927   19  THR   A HG21 
1946 H HG22 . THR   B 7   ? 0.721083 0.944014 0.483236 0.191153    0.182835    0.0874947   19  THR   A HG22 
1947 H HG23 . THR   B 7   ? 0.745123 1.01235  0.489646 0.219157    0.191326    0.0648208   19  THR   A HG23 
1948 N N    . GLU   B 8   ? 0.802118 1.03693  0.465576 0.259275    0.15665     0.0153608   20  GLU   A N    
1949 C CA   . GLU   B 8   ? 0.841542 1.12005  0.460211 0.276569    0.169551    0.0192511   20  GLU   A CA   
1950 C C    . GLU   B 8   ? 0.833438 1.09344  0.413922 0.278796    0.154031    0.0237499   20  GLU   A C    
1951 O O    . GLU   B 8   ? 0.797255 1.07706  0.355598 0.273959    0.165646    0.0562005   20  GLU   A O    
1952 C CB   . GLU   B 8   ? 0.834371 1.14645  0.436405 0.306335    0.172503    -0.0181715  20  GLU   A CB   
1953 H H    . GLU   B 8   ? 0.783486 1.01328  0.461518 0.266275    0.150934    -0.00501115 20  GLU   A H    
1954 H HA   . GLU   B 8   ? 0.833203 1.13716  0.456588 0.267924    0.187987    0.0454767   20  GLU   A HA   
1957 N N    . GLN   B 9   ? 0.817439 1.04113  0.393311 0.28536     0.127332    -0.00626178 21  GLN   A N    
1958 C CA   . GLN   B 9   ? 0.821729 1.04107  0.357801 0.295054    0.110333    -0.0131271  21  GLN   A CA   
1959 C C    . GLN   B 9   ? 0.774921 0.942752 0.331486 0.279104    0.0869194   -0.0111807  21  GLN   A C    
1960 O O    . GLN   B 9   ? 0.778708 0.937212 0.313032 0.285741    0.0669697   -0.0225124  21  GLN   A O    
1961 C CB   . GLN   B 9   ? 0.857528 1.09706  0.365356 0.322758    0.101967    -0.057862   21  GLN   A CB   
1962 H H    . GLN   B 9   ? 0.792842 0.995172 0.392523 0.283268    0.118872    -0.0223027  21  GLN   A H    
1963 H HA   . GLN   B 9   ? 0.842869 1.08519  0.35751  0.294634    0.121338    0.0113654   21  GLN   A HA   
1966 N N    . GLY   B 10  ? 0.700138 0.838662 0.299725 0.257948    0.0892509   0.00295215  22  GLY   A N    
1967 C CA   . GLY   B 10  ? 0.651242 0.746702 0.273054 0.243798    0.0699085   0.0019468   22  GLY   A CA   
1968 C C    . GLY   B 10  ? 0.636626 0.725205 0.25358  0.233398    0.0710679   0.0348706   22  GLY   A C    
1969 O O    . GLY   B 10  ? 0.607283 0.710069 0.224352 0.226253    0.0897534   0.0661829   22  GLY   A O    
1970 H H    . GLY   B 10  ? 0.692231 0.84072  0.307588 0.252251    0.103433    0.0131247   22  GLY   A H    
1971 H HA2  . GLY   B 10  ? 0.661753 0.74849  0.275195 0.251929    0.0537012   -0.0204562  22  GLY   A HA2  
1972 H HA3  . GLY   B 10  ? 0.624767 0.704532 0.275549 0.233132    0.071434    0.00131628  22  GLY   A HA3  
1973 N N    . GLU   B 11  ? 0.643583 0.708842 0.262026 0.232041    0.0500045   0.0274168   23  GLU   A N    
1974 C CA   . GLU   B 11  ? 0.683107 0.738266 0.301407 0.225852    0.0460838   0.0540681   23  GLU   A CA   
1975 C C    . GLU   B 11  ? 0.596902 0.621618 0.257857 0.204971    0.0509032   0.0689617   23  GLU   A C    
1976 O O    . GLU   B 11  ? 0.495509 0.50018  0.183847 0.195676    0.0446598   0.0517712   23  GLU   A O    
1977 C CB   . GLU   B 11  ? 0.771922 0.823769 0.374642 0.236397    0.0202401   0.0341863   23  GLU   A CB   
1978 C CG   . GLU   B 11  ? 0.891851 0.931444 0.502026 0.232395    0.0104376   0.0559583   23  GLU   A CG   
1979 C CD   . GLU   B 11  ? 1.02114  1.05594  0.63161  0.238059    -0.017111   0.0345584   23  GLU   A CD   
1980 O OE1  . GLU   B 11  ? 1.08405  1.13552  0.667947 0.251172    -0.0311342  0.00917516  23  GLU   A OE1  
1981 O OE2  . GLU   B 11  ? 1.09573  1.11245  0.7346   0.229704    -0.0250038  0.04289     23  GLU   A OE2  
1982 H H    . GLU   B 11  ? 0.646002 0.701266 0.268515 0.235275    0.0370253   0.00465732  23  GLU   A H    
1983 H HA   . GLU   B 11  ? 0.699514 0.773706 0.298406 0.230112    0.0566047   0.0740875   23  GLU   A HA   
1984 H HB2  . GLU   B 11  ? 0.805985 0.880135 0.37798  0.249908    0.0183494   0.0268611   23  GLU   A HB2  
1985 H HB3  . GLU   B 11  ? 0.757937 0.795186 0.377442 0.233166    0.01051     0.0125798   23  GLU   A HB3  
1986 H HG2  . GLU   B 11  ? 0.860127 0.880918 0.498449 0.219949    0.0163444   0.0657467   23  GLU   A HG2  
1987 H HG3  . GLU   B 11  ? 0.910528 0.965217 0.499745 0.238237    0.016508    0.0769177   23  GLU   A HG3  
1988 N N    . ASP   B 12  ? 0.595597 0.618288 0.260585 0.198159    0.0622813   0.102021    24  ASP   A N    
1989 C CA   . ASP   B 12  ? 0.561035 0.556294 0.263404 0.180383    0.0674268   0.115737    24  ASP   A CA   
1990 C C    . ASP   B 12  ? 0.566956 0.540344 0.281803 0.181076    0.049591    0.111439    24  ASP   A C    
1991 O O    . ASP   B 12  ? 0.571208 0.547188 0.271781 0.190586    0.0418555   0.126865    24  ASP   A O    
1992 C CB   . ASP   B 12  ? 0.567542 0.565137 0.273399 0.173148    0.0845198   0.152088    24  ASP   A CB   
1993 C CG   . ASP   B 12  ? 0.559421 0.527694 0.307274 0.153645    0.0906248   0.160491    24  ASP   A CG   
1994 O OD1  . ASP   B 12  ? 0.50847  0.457176 0.278486 0.147588    0.0812647   0.138832    24  ASP   A OD1  
1995 O OD2  . ASP   B 12  ? 0.569552 0.53564  0.328365 0.143988    0.1045      0.188124    24  ASP   A OD2  
1996 H H    . ASP   B 12  ? 0.622875 0.662313 0.265642 0.205407    0.0667482   0.116574    24  ASP   A H    
1997 H HA   . ASP   B 12  ? 0.539543 0.529348 0.259563 0.172387    0.0706765   0.103577    24  ASP   A HA   
1998 H HB2  . ASP   B 12  ? 0.582156 0.600532 0.278014 0.173985    0.0963127   0.156372    24  ASP   A HB2  
1999 H HB3  . ASP   B 12  ? 0.597792 0.597351 0.288626 0.180537    0.0801188   0.167229    24  ASP   A HB3  
2000 N N    . ILE   B 13  ? 0.550471 0.50545  0.293912 0.171003    0.0434998   0.09218     25  ILE   A N    
2001 C CA   . ILE   B 13  ? 0.524865 0.467828 0.281665 0.172731    0.0268784   0.0833893   25  ILE   A CA   
2002 C C    . ILE   B 13  ? 0.510124 0.43103  0.301422 0.16043     0.0326669   0.0911851   25  ILE   A C    
2003 O O    . ILE   B 13  ? 0.514691 0.42807  0.324345 0.160507    0.0221519   0.0825431   25  ILE   A O    
2004 C CB   . ILE   B 13  ? 0.509114 0.453792 0.269263 0.17285     0.0127766   0.0538164   25  ILE   A CB   
2005 C CG1  . ILE   B 13  ? 0.496366 0.433307 0.275196 0.159907    0.020331    0.0417588   25  ILE   A CG1  
2006 C CG2  . ILE   B 13  ? 0.54792  0.511877 0.274205 0.188154    0.00295551  0.0417422   25  ILE   A CG2  
2007 C CD1  . ILE   B 13  ? 0.480723 0.411892 0.27373  0.155729    0.00581291  0.0193056   25  ILE   A CD1  
2008 H H    . ILE   B 13  ? 0.524827 0.477615 0.279715 0.163202    0.0497866   0.0852585   25  ILE   A H    
2009 H HA   . ILE   B 13  ? 0.550543 0.50026  0.292452 0.182593    0.0203732   0.0922881   25  ILE   A HA   
2010 H HB   . ILE   B 13  ? 0.508372 0.447559 0.281931 0.171908    0.00333359  0.0500355   25  ILE   A HB   
2011 H HG12 . ILE   B 13  ? 0.498414 0.444012 0.264919 0.162869    0.0270425   0.0413729   25  ILE   A HG12 
2012 H HG13 . ILE   B 13  ? 0.480627 0.408756 0.276209 0.150786    0.0283918   0.049921    25  ILE   A HG13 
2013 H HG21 . ILE   B 13  ? 0.538162 0.499468 0.27024  0.187765    -0.00847596 0.0230612   25  ILE   A HG21 
2014 H HG22 . ILE   B 13  ? 0.549808 0.522087 0.263995 0.190131    0.0129187   0.0428256   25  ILE   A HG22 
2015 H HG23 . ILE   B 13  ? 0.56651  0.538463 0.278019 0.196703    -0.00228694 0.0511408   25  ILE   A HG23 
2016 H HD11 . ILE   B 13  ? 0.47637  0.403977 0.281494 0.153626    -0.00079037 0.0194219   25  ILE   A HD11 
2017 H HD12 . ILE   B 13  ? 0.464273 0.390157 0.269935 0.14693     0.0110424   0.0159744   25  ILE   A HD12 
2018 H HD13 . ILE   B 13  ? 0.493846 0.431152 0.272538 0.163822    -0.00244131 0.00842026  25  ILE   A HD13 
2019 N N    . THR   B 14  ? 0.514066 0.427455 0.314858 0.15078     0.0489757   0.106925    26  THR   A N    
2020 C CA   . THR   B 14  ? 0.517463 0.407997 0.350078 0.140255    0.0542078   0.112574    26  THR   A CA   
2021 C C    . THR   B 14  ? 0.584438 0.463768 0.419059 0.150129    0.0499496   0.135347    26  THR   A C    
2022 O O    . THR   B 14  ? 0.60843  0.499457 0.41727  0.161466    0.0478667   0.155099    26  THR   A O    
2023 C CB   . THR   B 14  ? 0.494708 0.379933 0.341734 0.124463    0.0701251   0.118168    26  THR   A CB   
2024 O OG1  . THR   B 14  ? 0.532246 0.426349 0.364136 0.126749    0.0797988   0.143975    26  THR   A OG1  
2025 C CG2  . THR   B 14  ? 0.466692 0.365632 0.312444 0.116823    0.0732579   0.0996179   26  THR   A CG2  
2026 H H    . THR   B 14  ? 0.523237 0.446819 0.311839 0.150709    0.0568417   0.113081    26  THR   A H    
2027 H HA   . THR   B 14  ? 0.500952 0.387511 0.34675  0.13747     0.0486555   0.0968004   26  THR   A HA   
2028 H HB   . THR   B 14  ? 0.497791 0.366485 0.366407 0.117703    0.0719101   0.117919    26  THR   A HB   
2030 H HG21 . THR   B 14  ? 0.463794 0.360841 0.321719 0.106534    0.0819139   0.103243    26  THR   A HG21 
2031 H HG22 . THR   B 14  ? 0.472839 0.386818 0.299346 0.124148    0.07276     0.0995803   26  THR   A HG22 
2032 H HG23 . THR   B 14  ? 0.450554 0.346191 0.303684 0.115188    0.0666431   0.084316    26  THR   A HG23 
2033 N N    . SER   B 15  ? 0.612563 0.470922 0.47823  0.147195    0.0478485   0.131203    27  SER   A N    
2034 C CA   . SER   B 15  ? 0.668271 0.508603 0.54753  0.156254    0.0438903   0.151634    27  SER   A CA   
2035 C C    . SER   B 15  ? 0.70573  0.529804 0.588969 0.14914     0.0563658   0.180584    27  SER   A C    
2036 O O    . SER   B 15  ? 0.732391 0.551495 0.607628 0.158955    0.0535606   0.210294    27  SER   A O    
2037 C CB   . SER   B 15  ? 0.67733  0.501011 0.592298 0.154834    0.0410415   0.13389     27  SER   A CB   
2038 O OG   . SER   B 15  ? 0.672465 0.515512 0.586767 0.158779    0.0310246   0.110476    27  SER   A OG   
2039 H H    . SER   B 15  ? 0.588234 0.44392  0.467781 0.14        0.0488885   0.114561    27  SER   A H    
2040 H HA   . SER   B 15  ? 0.681175 0.532486 0.544876 0.168484    0.0343296   0.158449    27  SER   A HA   
2041 H HB2  . SER   B 15  ? 0.66714  0.481091 0.595395 0.143109    0.0496261   0.126006    27  SER   A HB2  
2042 H HB3  . SER   B 15  ? 0.697983 0.508512 0.624955 0.162955    0.0373719   0.146274    27  SER   A HB3  
2044 N N    . LYS   B 16  ? 0.708052 0.524909 0.606355 0.131018    0.0690788   0.172802    28  LYS   A N    
2045 C CA   . LYS   B 16  ? 0.717314 0.517577 0.63001  0.118789    0.0812134   0.197078    28  LYS   A CA   
2046 C C    . LYS   B 16  ? 0.673743 0.500242 0.557006 0.117701    0.0908259   0.220832    28  LYS   A C    
2047 O O    . LYS   B 16  ? 0.686092 0.504854 0.581413 0.106001    0.102191    0.24552     28  LYS   A O    
2048 C CB   . LYS   B 16  ? 0.71063  0.500303 0.650787 0.0983884   0.0898639   0.178094    28  LYS   A CB   
2049 C CG   . LYS   B 16  ? 0.727759 0.487314 0.702746 0.0960449   0.085255    0.158748    28  LYS   A CG   
2050 C CD   . LYS   B 16  ? 0.725779 0.490934 0.713268 0.0795582   0.0897609   0.128854    28  LYS   A CD   
2051 C CE   . LYS   B 16  ? 0.804325 0.53971  0.828052 0.0660486   0.0928984   0.120461    28  LYS   A CE   
2052 N NZ   . LYS   B 16  ? 0.805589 0.532376 0.845263 0.0699571   0.0876828   0.0879845   28  LYS   A NZ   
2053 H H    . LYS   B 16  ? 0.674633 0.497995 0.575726 0.125417    0.0694795   0.152229    28  LYS   A H    
2054 H HA   . LYS   B 16  ? 0.735409 0.515563 0.661134 0.123755    0.0779119   0.211898    28  LYS   A HA   
2055 H HB2  . LYS   B 16  ? 0.686066 0.494377 0.6155   0.0958491   0.0903386   0.161139    28  LYS   A HB2  
2056 H HB3  . LYS   B 16  ? 0.725807 0.512533 0.672086 0.0886565   0.098216    0.194576    28  LYS   A HB3  
2057 H HG2  . LYS   B 16  ? 0.757855 0.494398 0.750762 0.0936307   0.0869536   0.174022    28  LYS   A HG2  
2058 H HG3  . LYS   B 16  ? 0.724236 0.485556 0.696158 0.108135    0.0772528   0.150324    28  LYS   A HG3  
2059 H HD2  . LYS   B 16  ? 0.713608 0.487875 0.696514 0.0847209   0.0848433   0.109808    28  LYS   A HD2  
2060 H HD3  . LYS   B 16  ? 0.722192 0.505273 0.697476 0.072744    0.0948436   0.13239     28  LYS   A HD3  
2061 H HE2  . LYS   B 16  ? 0.785049 0.528191 0.811899 0.0522791   0.0981765   0.117425    28  LYS   A HE2  
2062 H HE3  . LYS   B 16  ? 0.819884 0.534371 0.855648 0.0677029   0.0932209   0.139605    28  LYS   A HE3  
2063 H HZ1  . LYS   B 16  ? 0.777637 0.523176 0.807801 0.0659344   0.0880772   0.0720059   28  LYS   A HZ1  
2064 H HZ2  . LYS   B 16  ? 0.804585 0.528774 0.842575 0.0831635   0.0828053   0.0897      28  LYS   A HZ2  
2065 H HZ3  . LYS   B 16  ? 0.818042 0.524744 0.879714 0.0634087   0.0888261   0.0817922   28  LYS   A HZ3  
2066 N N    . LYS   B 17  ? 0.646617 0.504743 0.494518 0.129096    0.0866764   0.21169     29  LYS   A N    
2067 C CA   . LYS   B 17  ? 0.667945 0.558274 0.484415 0.131532    0.0966807   0.227633    29  LYS   A CA   
2068 C C    . LYS   B 17  ? 0.615997 0.513441 0.45019  0.112277    0.114042    0.230607    29  LYS   A C    
2069 O O    . LYS   B 17  ? 0.659612 0.568048 0.492354 0.105739    0.127518    0.259808    29  LYS   A O    
2070 C CB   . LYS   B 17  ? 0.720668 0.616471 0.513967 0.144127    0.0949697   0.264118    29  LYS   A CB   
2071 C CG   . LYS   B 17  ? 0.774292 0.679682 0.541542 0.165168    0.075931    0.255185    29  LYS   A CG   
2072 C CD   . LYS   B 17  ? 0.848423 0.792017 0.574321 0.176948    0.0722506   0.236178    29  LYS   A CD   
2073 C CE   . LYS   B 17  ? 0.929378 0.884747 0.630168 0.196424    0.0508909   0.227332    29  LYS   A CE   
2074 N NZ   . LYS   B 17  ? 0.946735 0.889431 0.66958  0.195425    0.0366439   0.192236    29  LYS   A NZ   
2075 H H    . LYS   B 17  ? 0.637098 0.497897 0.481255 0.135719    0.0773725   0.193446    29  LYS   A H    
2076 H HA   . LYS   B 17  ? 0.646159 0.554203 0.443565 0.139296    0.0914152   0.209525    29  LYS   A HA   
2077 H HB2  . LYS   B 17  ? 0.746403 0.618447 0.561148 0.138931    0.0961962   0.281959    29  LYS   A HB2  
2078 H HB3  . LYS   B 17  ? 0.743703 0.662211 0.518557 0.143525    0.105042    0.277702    29  LYS   A HB3  
2079 H HG2  . LYS   B 17  ? 0.757522 0.647031 0.543863 0.165089    0.0671581   0.236571    29  LYS   A HG2  
2080 H HG3  . LYS   B 17  ? 0.809647 0.711318 0.570461 0.172006    0.0729176   0.280388    29  LYS   A HG3  
2081 H HD2  . LYS   B 17  ? 0.862873 0.825765 0.569958 0.177301    0.0829682   0.252517    29  LYS   A HD2  
2082 H HD3  . LYS   B 17  ? 0.81281  0.757004 0.547627 0.17107     0.0735805   0.211936    29  LYS   A HD3  
2083 H HE2  . LYS   B 17  ? 0.949521 0.897383 0.650944 0.201867    0.0462001   0.249471    29  LYS   A HE2  
2084 H HE3  . LYS   B 17  ? 0.937798 0.918882 0.607654 0.204456    0.0506869   0.22334     29  LYS   A HE3  
2085 H HZ1  . LYS   B 17  ? 0.916836 0.838645 0.667284 0.188381    0.0382552   0.193629    29  LYS   A HZ1  
2086 H HZ2  . LYS   B 17  ? 0.909158 0.858766 0.629659 0.191442    0.0393943   0.173311    29  LYS   A HZ2  
2087 H HZ3  . LYS   B 17  ? 0.937817 0.887879 0.650122 0.2058      0.0232425   0.188166    29  LYS   A HZ3  
2088 N N    . ASP   B 18  ? 0.554041 0.45114  0.404353 0.103114    0.113508    0.200966    30  ASP   A N    
2089 C CA   . ASP   B 18  ? 0.531498 0.435996 0.404152 0.0846025   0.126339    0.200841    30  ASP   A CA   
2090 C C    . ASP   B 18  ? 0.528708 0.467128 0.385558 0.088528    0.129182    0.181265    30  ASP   A C    
2091 O O    . ASP   B 18  ? 0.490019 0.437661 0.367499 0.0751611   0.135375    0.172368    30  ASP   A O    
2092 C CB   . ASP   B 18  ? 0.508364 0.381634 0.418176 0.069681    0.122318    0.185581    30  ASP   A CB   
2093 C CG   . ASP   B 18  ? 0.4637   0.332095 0.373724 0.0737196   0.110414    0.151428    30  ASP   A CG   
2094 O OD1  . ASP   B 18  ? 0.43183  0.318279 0.317028 0.0862811   0.104238    0.139357    30  ASP   A OD1  
2095 O OD2  . ASP   B 18  ? 0.448262 0.296031 0.384235 0.0633612   0.107821    0.137144    30  ASP   A OD2  
2096 H H    . ASP   B 18  ? 0.539095 0.432916 0.387163 0.108214    0.104375    0.181231    30  ASP   A H    
2097 H HA   . ASP   B 18  ? 0.559818 0.468677 0.435004 0.0796733   0.135649    0.224935    30  ASP   A HA   
2098 H HB2  . ASP   B 18  ? 0.504835 0.383514 0.431103 0.0562313   0.129656    0.186453    30  ASP   A HB2  
2099 H HB3  . ASP   B 18  ? 0.527826 0.378624 0.448349 0.069668    0.120395    0.197937    30  ASP   A HB3  
2100 N N    . ARG   B 19  ? 0.557452 0.513838 0.379639 0.107755    0.122867    0.173522    31  ARG   A N    
2101 C CA   . ARG   B 19  ? 0.540361 0.525273 0.346304 0.116437    0.123509    0.153525    31  ARG   A CA   
2102 C C    . ARG   B 19  ? 0.515474 0.492266 0.34287  0.10828     0.116848    0.126563    31  ARG   A C    
2103 O O    . ARG   B 19  ? 0.596796 0.59478  0.424317 0.110624    0.119923    0.11442     31  ARG   A O    
2104 C CB   . ARG   B 19  ? 0.52166  0.542599 0.321399 0.115748    0.142134    0.170961    31  ARG   A CB   
2105 C CG   . ARG   B 19  ? 0.561836 0.600766 0.329956 0.127195    0.148925    0.197471    31  ARG   A CG   
2106 C CD   . ARG   B 19  ? 0.565151 0.648989 0.32499  0.127851    0.169693    0.213107    31  ARG   A CD   
2107 N NE   . ARG   B 19  ? 0.537377 0.648615 0.297001 0.13583     0.172279    0.184983    31  ARG   A NE   
2108 C CZ   . ARG   B 19  ? 0.543345 0.67271  0.271544 0.15789     0.165955    0.161332    31  ARG   A CZ   
2109 N NH1  . ARG   B 19  ? 0.573446 0.701804 0.264325 0.173311    0.15666     0.162104    31  ARG   A NH1  
2110 N NH2  . ARG   B 19  ? 0.528885 0.678658 0.263686 0.165634    0.167954    0.136666    31  ARG   A NH2  
2111 H H    . ARG   B 19  ? 0.563952 0.513873 0.373106 0.116498    0.116904    0.180377    31  ARG   A H    
2112 H HA   . ARG   B 19  ? 0.542278 0.531184 0.325499 0.130082    0.11542     0.146448    31  ARG   A HA   
2113 H HB2  . ARG   B 19  ? 0.527701 0.545528 0.351885 0.10094     0.149875    0.180814    31  ARG   A HB2  
2114 H HB3  . ARG   B 19  ? 0.520046 0.558899 0.3138   0.122285    0.142455    0.15504     31  ARG   A HB3  
2115 H HG2  . ARG   B 19  ? 0.563013 0.604297 0.306784 0.141643    0.139151    0.186116    31  ARG   A HG2  
2116 H HG3  . ARG   B 19  ? 0.57113  0.591403 0.348213 0.120412    0.148935    0.216669    31  ARG   A HG3  
2117 H HD2  . ARG   B 19  ? 0.594556 0.693945 0.326683 0.138393    0.172545    0.226324    31  ARG   A HD2  
2118 H HD3  . ARG   B 19  ? 0.569923 0.651291 0.353619 0.112362    0.179304    0.231316    31  ARG   A HD3  
2119 H HE   . ARG   B 19  ? 0.524131 0.639305 0.307498 0.125788    0.177461    0.183008    31  ARG   A HE   
2120 H HH11 . ARG   B 19  ? 0.567934 0.671193 0.259131 0.171963    0.144787    0.161255    31  ARG   A HH11 
2121 H HH12 . ARG   B 19  ? 0.594725 0.749721 0.260644 0.185287    0.162123    0.162785    31  ARG   A HH12 
2122 H HH21 . ARG   B 19  ? 0.514861 0.671098 0.273733 0.156347    0.174513    0.138127    31  ARG   A HH21 
2123 H HH22 . ARG   B 19  ? 0.534814 0.691345 0.251154 0.180466    0.161888    0.118472    31  ARG   A HH22 
2124 N N    . GLY   B 20  ? 0.490261 0.439256 0.334822 0.100668    0.107323    0.117016    32  GLY   A N    
2125 C CA   . GLY   B 20  ? 0.467283 0.411762 0.33053  0.0908931   0.102328    0.0962996   32  GLY   A CA   
2126 C C    . GLY   B 20  ? 0.434573 0.378742 0.285149 0.101279    0.0887675   0.0754765   32  GLY   A C    
2127 O O    . GLY   B 20  ? 0.441369 0.385723 0.303175 0.0950239   0.0843624   0.0618109   32  GLY   A O    
2128 H H    . GLY   B 20  ? 0.503005 0.437452 0.347235 0.102369    0.103789    0.123662    32  GLY   A H    
2129 H HA2  . GLY   B 20  ? 0.45893  0.4179   0.329793 0.0855701   0.108865    0.0970941   32  GLY   A HA2  
2130 H HA3  . GLY   B 20  ? 0.458464 0.386429 0.337372 0.0819458   0.101073    0.0955829   32  GLY   A HA3  
2131 N N    . VAL   B 21  ? 0.429893 0.373713 0.258467 0.116072    0.0809779   0.0744219   33  VAL   A N    
2132 C CA   . VAL   B 21  ? 0.4161   0.359796 0.234672 0.125332    0.0670911   0.0549887   33  VAL   A CA   
2133 C C    . VAL   B 21  ? 0.442899 0.400621 0.231255 0.143368    0.0639297   0.0555351   33  VAL   A C    
2134 O O    . VAL   B 21  ? 0.436276 0.392102 0.211813 0.149756    0.0606033   0.0661356   33  VAL   A O    
2135 C CB   . VAL   B 21  ? 0.417044 0.343022 0.247318 0.121118    0.0549976   0.0462334   33  VAL   A CB   
2136 C CG1  . VAL   B 21  ? 0.398528 0.32375  0.226237 0.125617    0.0407789   0.0278495   33  VAL   A CG1  
2137 C CG2  . VAL   B 21  ? 0.400078 0.315316 0.255412 0.105019    0.059983    0.0465831   33  VAL   A CG2  
2138 H H    . VAL   B 21  ? 0.449697 0.393118 0.270208 0.120025    0.0835096   0.0867684   33  VAL   A H    
2139 H HA   . VAL   B 21  ? 0.410499 0.359461 0.234492 0.123283    0.0674522   0.0469885   33  VAL   A HA   
2140 H HB   . VAL   B 21  ? 0.424383 0.347503 0.248144 0.126746    0.0524486   0.0527273   33  VAL   A HB   
2141 H HG11 . VAL   B 21  ? 0.394527 0.322576 0.226708 0.122735    0.0422721   0.022984    33  VAL   A HG11 
2142 H HG12 . VAL   B 21  ? 0.416867 0.346991 0.228939 0.13634     0.0353833   0.0246381   33  VAL   A HG12 
2143 H HG13 . VAL   B 21  ? 0.39366  0.311399 0.232275 0.120618    0.0351328   0.0242443   33  VAL   A HG13 
2144 H HG21 . VAL   B 21  ? 0.393732 0.302649 0.255589 0.103799    0.053533    0.0403008   33  VAL   A HG21 
2145 H HG22 . VAL   B 21  ? 0.407918 0.319102 0.267695 0.102189    0.0669165   0.0570728   33  VAL   A HG22 
2146 H HG23 . VAL   B 21  ? 0.389805 0.309902 0.250838 0.0990485   0.0622974   0.0422094   33  VAL   A HG23 
2147 N N    . LEU   B 22  ? 0.462452 0.436268 0.239667 0.152815    0.0646562   0.04333     34  LEU   A N    
2148 C CA   . LEU   B 22  ? 0.501289 0.493626 0.247237 0.171464    0.0624936   0.0375886   34  LEU   A CA   
2149 C C    . LEU   B 22  ? 0.477232 0.460535 0.219856 0.180193    0.0438925   0.00977958  34  LEU   A C    
2150 O O    . LEU   B 22  ? 0.443762 0.415403 0.207485 0.17392     0.0394516   -0.00160856 34  LEU   A O    
2151 C CB   . LEU   B 22  ? 0.557589 0.578319 0.297799 0.176289    0.0801789   0.043518    34  LEU   A CB   
2152 C CG   . LEU   B 22  ? 0.56476  0.595532 0.313022 0.164528    0.098877    0.0736056   34  LEU   A CG   
2153 C CD1  . LEU   B 22  ? 0.573114 0.634389 0.32949  0.164247    0.116298    0.0777465   34  LEU   A CD1  
2154 C CD2  . LEU   B 22  ? 0.578881 0.618048 0.299439 0.172207    0.101403    0.0936944   34  LEU   A CD2  
2155 H H    . LEU   B 22  ? 0.448159 0.422315 0.237946 0.148271    0.0662341   0.0373615   34  LEU   A H    
2156 H HA   . LEU   B 22  ? 0.515485 0.508823 0.248872 0.174507    0.0615667   0.0484231   34  LEU   A HA   
2157 H HB2  . LEU   B 22  ? 0.532656 0.552301 0.288084 0.173838    0.079947    0.0334153   34  LEU   A HB2  
2158 H HB3  . LEU   B 22  ? 0.568941 0.605276 0.286234 0.190305    0.0794242   0.0367104   34  LEU   A HB3  
2159 H HG   . LEU   B 22  ? 0.544168 0.556454 0.313059 0.151356    0.0974007   0.0784203   34  LEU   A HG   
2160 H HD11 . LEU   B 22  ? 0.551561 0.607872 0.326551 0.159747    0.113354    0.0667553   34  LEU   A HD11 
2161 H HD12 . LEU   B 22  ? 0.57506  0.641914 0.339544 0.154567    0.12746     0.0978227   34  LEU   A HD12 
2162 H HD13 . LEU   B 22  ? 0.589506 0.67138  0.325743 0.178423    0.118992    0.0713374   34  LEU   A HD13 
2163 H HD21 . LEU   B 22  ? 0.581497 0.602475 0.301564 0.171956    0.0901055   0.0924213   34  LEU   A HD21 
2164 H HD22 . LEU   B 22  ? 0.603477 0.662725 0.30024  0.185832    0.101949    0.0871134   34  LEU   A HD22 
2165 H HD23 . LEU   B 22  ? 0.589841 0.633776 0.317703 0.163967    0.113369    0.114816    34  LEU   A HD23 
2166 N N    . LYS   B 23  ? 0.487211 0.477488 0.203356 0.194633    0.0326281   -0.00016961 35  LYS   A N    
2167 C CA   . LYS   B 23  ? 0.478325 0.456901 0.194835 0.200893    0.0119554   -0.0277723  35  LYS   A CA   
2168 C C    . LYS   B 23  ? 0.530817 0.529569 0.21293  0.222097    0.00625083  -0.0463636  35  LYS   A C    
2169 O O    . LYS   B 23  ? 0.566205 0.587192 0.218298 0.23133     0.0116513   -0.0345432  35  LYS   A O    
2170 C CB   . LYS   B 23  ? 0.472017 0.436293 0.197196 0.19393     -0.00367708 -0.0263072  35  LYS   A CB   
2171 C CG   . LYS   B 23  ? 0.481525 0.434878 0.211742 0.196791    -0.0274092  -0.0526103  35  LYS   A CG   
2172 C CD   . LYS   B 23  ? 0.464282 0.410347 0.210474 0.187974    -0.0408294  -0.0483046  35  LYS   A CD   
2173 C CE   . LYS   B 23  ? 0.483385 0.422327 0.238975 0.18806     -0.0652784  -0.0727388  35  LYS   A CE   
2174 N NZ   . LYS   B 23  ? 0.493622 0.441279 0.25232  0.187928    -0.0799728  -0.0701818  35  LYS   A NZ   
2175 H H    . LYS   B 23  ? 0.505091 0.508    0.203157 0.20013     0.0372364   0.0108651   35  LYS   A H    
2176 H HA   . LYS   B 23  ? 0.470715 0.439045 0.205189 0.196248    0.0107026   -0.036047   35  LYS   A HA   
2177 H HB2  . LYS   B 23  ? 0.448991 0.402128 0.195519 0.181359    0.00034163  -0.016828   35  LYS   A HB2  
2178 H HB3  . LYS   B 23  ? 0.486011 0.460631 0.19482  0.199091    -0.00219522 -0.0153093  35  LYS   A HB3  
2179 H HG2  . LYS   B 23  ? 0.505842 0.470384 0.213653 0.209837    -0.0329401  -0.0648256  35  LYS   A HG2  
2180 H HG3  . LYS   B 23  ? 0.469582 0.410909 0.216598 0.191813    -0.0292481  -0.0615105  35  LYS   A HG3  
2181 H HD2  . LYS   B 23  ? 0.443657 0.380399 0.211427 0.175872    -0.0346559  -0.0385565  35  LYS   A HD2  
2182 H HD3  . LYS   B 23  ? 0.478155 0.435275 0.209466 0.193637    -0.0391003  -0.0371172  35  LYS   A HD3  
2183 H HE2  . LYS   B 23  ? 0.505961 0.449234 0.244125 0.19893     -0.0708163  -0.0885588  35  LYS   A HE2  
2184 H HE3  . LYS   B 23  ? 0.46726  0.392026 0.246687 0.177327    -0.0672092  -0.0761515  35  LYS   A HE3  
2185 H HZ1  . LYS   B 23  ? 0.508241 0.469155 0.244481 0.197905    -0.0785815  -0.0640604  35  LYS   A HZ1  
2186 H HZ2  . LYS   B 23  ? 0.472467 0.416073 0.250447 0.178545    -0.0755139  -0.0584251  35  LYS   A HZ2  
2187 H HZ3  . LYS   B 23  ? 0.502791 0.447916 0.267788 0.187493    -0.0953283  -0.0864642  35  LYS   A HZ3  
2188 N N    . ILE   B 24  ? 0.565609 0.556316 0.252767 0.230109    -0.00477166 -0.0753926  36  ILE   A N    
2189 C CA   . ILE   B 24  ? 0.599404 0.601396 0.25869  0.249853    -0.0179169  -0.104309   36  ILE   A CA   
2190 C C    . ILE   B 24  ? 0.615591 0.586848 0.298061 0.244123    -0.0434394  -0.128438   36  ILE   A C    
2191 O O    . ILE   B 24  ? 0.6119   0.558531 0.327708 0.234144    -0.0462686  -0.13177    36  ILE   A O    
2192 C CB   . ILE   B 24  ? 0.633844 0.655204 0.280648 0.268321    -0.00705749 -0.122261   36  ILE   A CB   
2193 C CG1  . ILE   B 24  ? 0.640527 0.692689 0.278112 0.268894    0.0209588   -0.095538   36  ILE   A CG1  
2194 C CG2  . ILE   B 24  ? 0.672668 0.710536 0.283983 0.291255    -0.0200753  -0.155829   36  ILE   A CG2  
2195 C CD1  . ILE   B 24  ? 0.67536  0.755957 0.301746 0.289479    0.0333628   -0.114267   36  ILE   A CD1  
2196 H H    . ILE   B 24  ? 0.540189 0.517174 0.249642 0.223263    -0.00471297 -0.0778006  36  ILE   A H    
2197 H HA   . ILE   B 24  ? 0.622139 0.639279 0.257975 0.254861    -0.0189318  -0.0979098  36  ILE   A HA   
2198 H HB   . ILE   B 24  ? 0.620242 0.623553 0.291502 0.265257    -0.010779   -0.131632   36  ILE   A HB   
2199 H HG12 . ILE   B 24  ? 0.651039 0.718446 0.266955 0.269707    0.0251809   -0.0808927  36  ILE   A HG12 
2200 H HG13 . ILE   B 24  ? 0.610107 0.650801 0.272255 0.254734    0.0274292   -0.0792372  36  ILE   A HG13 
2201 H HG21 . ILE   B 24  ? 0.689781 0.732633 0.301748 0.303067    -0.0166685  -0.173791   36  ILE   A HG21 
2202 H HG22 . ILE   B 24  ? 0.692489 0.755868 0.274915 0.297354    -0.0128549  -0.14526    36  ILE   A HG22 
2203 H HG23 . ILE   B 24  ? 0.681906 0.701181 0.29948  0.2882      -0.0393764  -0.170195   36  ILE   A HG23 
2204 H HD11 . ILE   B 24  ? 0.668618 0.731734 0.314828 0.292187    0.0251085   -0.132703   36  ILE   A HD11 
2205 H HD12 . ILE   B 24  ? 0.662238 0.761134 0.292903 0.285859    0.0516368   -0.0951134  36  ILE   A HD12 
2206 H HD13 . ILE   B 24  ? 0.704355 0.803986 0.300693 0.303997    0.0311946   -0.127166   36  ILE   A HD13 
2207 N N    . VAL   B 25  ? 0.640948 0.617016 0.305026 0.250564    -0.0622985  -0.14366    37  VAL   A N    
2208 C CA   . VAL   B 25  ? 0.662291 0.614602 0.345692 0.246881    -0.0891114  -0.171434   37  VAL   A CA   
2209 C C    . VAL   B 25  ? 0.720147 0.666858 0.398009 0.264079    -0.0950828  -0.206699   37  VAL   A C    
2210 O O    . VAL   B 25  ? 0.789541 0.763554 0.429883 0.285548    -0.0896843  -0.222227   37  VAL   A O    
2211 C CB   . VAL   B 25  ? 0.680866 0.647885 0.345005 0.249555    -0.107318   -0.176089   37  VAL   A CB   
2212 C CG1  . VAL   B 25  ? 0.702398 0.650337 0.386288 0.245472    -0.137985   -0.208311   37  VAL   A CG1  
2213 C CG2  . VAL   B 25  ? 0.648512 0.61926  0.324432 0.235171    -0.100439   -0.140889   37  VAL   A CG2  
2214 H H    . VAL   B 25  ? 0.65682  0.652829 0.295985 0.257141    -0.0589187  -0.135759   37  VAL   A H    
2215 H HA   . VAL   B 25  ? 0.638934 0.57154  0.352652 0.231805    -0.0907918  -0.162758   37  VAL   A HA   
2216 H HB   . VAL   B 25  ? 0.707837 0.697758 0.33801  0.26462     -0.103898   -0.181051   37  VAL   A HB   
2217 H HG11 . VAL   B 25  ? 0.680201 0.60596  0.397841 0.230927    -0.140286   -0.203835   37  VAL   A HG11 
2218 H HG12 . VAL   B 25  ? 0.731217 0.678354 0.403076 0.257702    -0.144364   -0.233944   37  VAL   A HG12 
2219 H HG13 . VAL   B 25  ? 0.710789 0.670508 0.387025 0.245057    -0.149364   -0.207748   37  VAL   A HG13 
2220 H HG21 . VAL   B 25  ? 0.663227 0.644756 0.328927 0.238301    -0.113082   -0.143417   37  VAL   A HG21 
2221 H HG22 . VAL   B 25  ? 0.64064  0.622352 0.304128 0.237545    -0.0825958  -0.121203   37  VAL   A HG22 
2222 H HG23 . VAL   B 25  ? 0.622798 0.57511  0.330139 0.220831    -0.101655   -0.13585    37  VAL   A HG23 
2223 N N    . LYS   B 26  ? 0.7074   0.619696 0.423479 0.255641    -0.105196   -0.218361   38  LYS   A N    
2224 C CA   . LYS   B 26  ? 0.721176 0.621182 0.438569 0.273468    -0.114793   -0.255067   38  LYS   A CA   
2225 C C    . LYS   B 26  ? 0.732215 0.608455 0.461837 0.271075    -0.146884   -0.287856   38  LYS   A C    
2226 O O    . LYS   B 26  ? 0.734251 0.609374 0.449904 0.290401    -0.158924   -0.3263     38  LYS   A O    
2227 C CB   . LYS   B 26  ? 0.690154 0.569082 0.440702 0.270648    -0.104799   -0.246507   38  LYS   A CB   
2228 C CG   . LYS   B 26  ? 0.644091 0.549922 0.386703 0.269836    -0.0748664  -0.214222   38  LYS   A CG   
2229 C CD   . LYS   B 26  ? 0.634795 0.583334 0.338099 0.292631    -0.0560986  -0.220268   38  LYS   A CD   
2230 C CE   . LYS   B 26  ? 0.655915 0.604503 0.363344 0.31524     -0.0564697  -0.250435   38  LYS   A CE   
2231 N NZ   . LYS   B 26  ? 0.681592 0.678382 0.349957 0.337445    -0.0371223  -0.257349   38  LYS   A NZ   
2232 H H    . LYS   B 26  ? 0.676804 0.573467 0.418321 0.239638    -0.106053   -0.203445   38  LYS   A H    
2233 H HA   . LYS   B 26  ? 0.739779 0.665115 0.426497 0.290776    -0.106561   -0.264665   38  LYS   A HA   
2234 H HB2  . LYS   B 26  ? 0.673662 0.528012 0.45311  0.254215    -0.113492   -0.237596   38  LYS   A HB2  
2235 H HB3  . LYS   B 26  ? 0.717285 0.589327 0.468665 0.285641    -0.110443   -0.271456   38  LYS   A HB3  
2236 H HG2  . LYS   B 26  ? 0.614096 0.523637 0.357446 0.255381    -0.0701832  -0.191488   38  LYS   A HG2  
2237 H HG3  . LYS   B 26  ? 0.626465 0.51859  0.392883 0.266816    -0.0719672  -0.209149   38  LYS   A HG3  
2238 H HD2  . LYS   B 26  ? 0.658796 0.621166 0.335794 0.298131    -0.0611944  -0.228014   38  LYS   A HD2  
2239 H HD3  . LYS   B 26  ? 0.615048 0.579705 0.317089 0.286705    -0.038333   -0.195245   38  LYS   A HD3  
2240 H HE2  . LYS   B 26  ? 0.640021 0.577977 0.37316  0.311065    -0.0512298  -0.240601   38  LYS   A HE2  
2241 H HE3  . LYS   B 26  ? 0.684523 0.612803 0.396626 0.320493    -0.075194   -0.276558   38  LYS   A HE3  
2242 H HZ1  . LYS   B 26  ? 0.659421 0.674534 0.326159 0.331321    -0.01991    -0.232266   38  LYS   A HZ1  
2243 H HZ2  . LYS   B 26  ? 0.701815 0.710144 0.343794 0.342104    -0.0425955  -0.265972   38  LYS   A HZ2  
2244 H HZ3  . LYS   B 26  ? 0.701586 0.700558 0.37399  0.353113    -0.0366452  -0.278012   38  LYS   A HZ3  
2245 N N    . ARG   B 27  ? 0.726429 0.585909 0.484545 0.247234    -0.160219   -0.27385    39  ARG   A N    
2246 C CA   . ARG   B 27  ? 0.773149 0.615648 0.546702 0.241296    -0.191406   -0.302289   39  ARG   A CA   
2247 C C    . ARG   B 27  ? 0.754257 0.612824 0.532727 0.223779    -0.197786   -0.281545   39  ARG   A C    
2248 O O    . ARG   B 27  ? 0.680314 0.533857 0.485524 0.203884    -0.18807    -0.249538   39  ARG   A O    
2249 C CB   . ARG   B 27  ? 0.78984  0.584681 0.613969 0.228512    -0.208484   -0.314662   39  ARG   A CB   
2250 C CG   . ARG   B 27  ? 0.840527 0.616077 0.681694 0.224681    -0.24297    -0.352238   39  ARG   A CG   
2251 C CD   . ARG   B 27  ? 0.874459 0.599772 0.774467 0.204879    -0.261198   -0.355629   39  ARG   A CD   
2252 N NE   . ARG   B 27  ? 0.855776 0.576072 0.791095 0.175483    -0.252318   -0.311934   39  ARG   A NE   
2253 C CZ   . ARG   B 27  ? 0.853845 0.538155 0.838599 0.154229    -0.258847   -0.296471   39  ARG   A CZ   
2254 N NH1  . ARG   B 27  ? 0.878685 0.519807 0.889563 0.158984    -0.275909   -0.319827   39  ARG   A NH1  
2255 N NH2  . ARG   B 27  ? 0.7853   0.478511 0.791952 0.129702    -0.247152   -0.256716   39  ARG   A NH2  
2256 H H    . ARG   B 27  ? 0.693207 0.553261 0.463154 0.234164    -0.149747   -0.247011   39  ARG   A H    
2257 H HA   . ARG   B 27  ? 0.807229 0.661393 0.554647 0.258264    -0.199037   -0.329087   39  ARG   A HA   
2258 H HB2  . ARG   B 27  ? 0.800071 0.584801 0.624059 0.240417    -0.20226    -0.323014   39  ARG   A HB2  
2259 H HB3  . ARG   B 27  ? 0.758497 0.544726 0.607498 0.210234    -0.203155   -0.288439   39  ARG   A HB3  
2260 H HG2  . ARG   B 27  ? 0.837196 0.630169 0.673943 0.216393    -0.24935    -0.346524   39  ARG   A HG2  
2261 H HG3  . ARG   B 27  ? 0.880275 0.661206 0.697887 0.244015    -0.248947   -0.38217    39  ARG   A HG3  
2262 H HD2  . ARG   B 27  ? 0.906923 0.622186 0.817308 0.202104    -0.283745   -0.381078   39  ARG   A HD2  
2263 H HD3  . ARG   B 27  ? 0.887972 0.594339 0.793207 0.215284    -0.257538   -0.363311   39  ARG   A HD3  
2264 H HE   . ARG   B 27  ? 0.821144 0.565675 0.743496 0.171649    -0.241342   -0.293533   39  ARG   A HE   
2265 H HH11 . ARG   B 27  ? 0.919101 0.550308 0.930715 0.165343    -0.293452   -0.349916   39  ARG   A HH11 
2266 H HH12 . ARG   B 27  ? 0.879055 0.50118  0.907056 0.156145    -0.270354   -0.305418   39  ARG   A HH12 
2267 H HH21 . ARG   B 27  ? 0.763116 0.479317 0.751702 0.131033    -0.230085   -0.238432   39  ARG   A HH21 
2268 H HH22 . ARG   B 27  ? 0.796625 0.473272 0.836232 0.112211    -0.256332   -0.249181   39  ARG   A HH22 
2269 N N    . VAL   B 28  ? 0.812136 0.69096  0.566662 0.232575    -0.216863   -0.304101   40  VAL   A N    
2270 C CA   . VAL   B 28  ? 0.81794  0.716267 0.57754  0.220806    -0.228562   -0.291242   40  VAL   A CA   
2271 C C    . VAL   B 28  ? 0.817267 0.689994 0.634712 0.194222    -0.247603   -0.291927   40  VAL   A C    
2272 O O    . VAL   B 28  ? 0.839819 0.681713 0.68425  0.188926    -0.265985   -0.31863    40  VAL   A O    
2273 C CB   . VAL   B 28  ? 0.867313 0.795061 0.584062 0.240252    -0.248023   -0.321236   40  VAL   A CB   
2274 C CG1  . VAL   B 28  ? 0.879046 0.831374 0.601381 0.231173    -0.263514   -0.308891   40  VAL   A CG1  
2275 C CG2  . VAL   B 28  ? 0.886367 0.844711 0.544427 0.265853    -0.226827   -0.317326   40  VAL   A CG2  
2276 H H    . VAL   B 28  ? 0.844102 0.726098 0.578548 0.247759    -0.223965   -0.33055    40  VAL   A H    
2277 H HA   . VAL   B 28  ? 0.788104 0.700359 0.540354 0.218668    -0.211402   -0.262744   40  VAL   A HA   
2278 H HB   . VAL   B 28  ? 0.901986 0.814027 0.627447 0.242315    -0.265869   -0.352915   40  VAL   A HB   
2279 H HG11 . VAL   B 28  ? 0.839425 0.797943 0.567767 0.224817    -0.247628   -0.277547   40  VAL   A HG11 
2280 H HG12 . VAL   B 28  ? 0.877037 0.815692 0.633252 0.217529    -0.281785   -0.320904   40  VAL   A HG12 
2281 H HG13 . VAL   B 28  ? 0.902712 0.879747 0.590038 0.245658    -0.271514   -0.320246   40  VAL   A HG13 
2282 H HG21 . VAL   B 28  ? 0.913994 0.896938 0.542574 0.276389    -0.237705   -0.328197   40  VAL   A HG21 
2283 H HG22 . VAL   B 28  ? 0.900948 0.848703 0.554059 0.275351    -0.222528   -0.335296   40  VAL   A HG22 
2284 H HG23 . VAL   B 28  ? 0.854214 0.819744 0.510128 0.26223     -0.206784   -0.285651   40  VAL   A HG23 
2285 N N    . GLY   B 29  ? 0.802882 0.689826 0.641257 0.177791    -0.242804   -0.261964   41  GLY   A N    
2286 C CA   . GLY   B 29  ? 0.815367 0.689959 0.708982 0.151474    -0.257753   -0.257883   41  GLY   A CA   
2287 C C    . GLY   B 29  ? 0.854467 0.751452 0.755104 0.149282    -0.287269   -0.277824   41  GLY   A C    
2288 O O    . GLY   B 29  ? 0.876175 0.786388 0.741366 0.167709    -0.303575   -0.306739   41  GLY   A O    
2289 H H    . GLY   B 29  ? 0.785766 0.691794 0.604825 0.183301    -0.229316   -0.243262   41  GLY   A H    
2290 H HA2  . GLY   B 29  ? 0.821484 0.668748 0.736844 0.144403    -0.263601   -0.268181   41  GLY   A HA2  
2291 H HA3  . GLY   B 29  ? 0.777101 0.657327 0.684447 0.141487    -0.242763   -0.230889   41  GLY   A HA3  
2292 N N    . ASN   B 30  ? 0.875471 0.781887 0.822103 0.127011    -0.293857   -0.262249   42  ASN   A N    
2293 C CA   . ASN   B 30  ? 0.93237  0.866523 0.893462 0.123184    -0.322006   -0.277505   42  ASN   A CA   
2294 C C    . ASN   B 30  ? 0.896861 0.866225 0.873763 0.117822    -0.312242   -0.24596    42  ASN   A C    
2295 O O    . ASN   B 30  ? 0.86288  0.829819 0.853886 0.109687    -0.285827   -0.214697   42  ASN   A O    
2296 C CB   . ASN   B 30  ? 0.977419 0.892801 0.995521 0.0984358   -0.34843    -0.297427   42  ASN   A CB   
2297 C CG   . ASN   B 30  ? 1.02437  0.894866 1.041    0.1008      -0.357353   -0.326135   42  ASN   A CG   
2298 O OD1  . ASN   B 30  ? 0.98453  0.821986 1.02755  0.0876943   -0.343773   -0.310599   42  ASN   A OD1  
2299 N ND2  . ASN   B 30  ? 1.11325  0.983416 1.09741  0.119506    -0.37919    -0.367343   42  ASN   A ND2  
2300 H H    . ASN   B 30  ? 0.844092 0.742438 0.814111 0.114156    -0.280581   -0.241908   42  ASN   A H    
2301 H HA   . ASN   B 30  ? 0.957057 0.902394 0.883328 0.140162    -0.33253    -0.296462   42  ASN   A HA   
2302 H HB2  . ASN   B 30  ? 0.946838 0.860463 1.0006   0.0805191   -0.339158   -0.275847   42  ASN   A HB2  
2303 H HB3  . ASN   B 30  ? 0.993669 0.92917  1.01698  0.0983675   -0.369766   -0.312879   42  ASN   A HB3  
2304 H HD21 . ASN   B 30  ? 1.12495  0.968572 1.10876  0.123101    -0.384747   -0.387029   42  ASN   A HD21 
2305 H HD22 . ASN   B 30  ? 1.11167  1.009    1.0742   0.129107    -0.388434   -0.375576   42  ASN   A HD22 
2306 N N    . GLY   B 31  ? 0.898538 0.901726 0.874815 0.123321    -0.336293   -0.257676   43  GLY   A N    
2307 C CA   . GLY   B 31  ? 0.874173 0.914587 0.866549 0.12338     -0.332139   -0.232136   43  GLY   A CA   
2308 C C    . GLY   B 31  ? 0.845517 0.899651 0.785152 0.14856     -0.312387   -0.210362   43  GLY   A C    
2309 O O    . GLY   B 31  ? 0.852429 0.890663 0.744706 0.163426    -0.299874   -0.21338    43  GLY   A O    
2310 H H    . GLY   B 31  ? 0.937575 0.941353 0.903728 0.128127    -0.356798   -0.283392   43  GLY   A H    
2311 H HA2  . GLY   B 31  ? 0.887986 0.949594 0.893776 0.121982    -0.35543    -0.245505   43  GLY   A HA2  
2312 H HA3  . GLY   B 31  ? 0.84029  0.87718  0.867755 0.108024    -0.319703   -0.215402   43  GLY   A HA3  
2313 N N    . GLU   B 32  ? 0.831863 0.917658 0.783003 0.15377     -0.311506   -0.188866   44  GLU   A N    
2314 C CA   . GLU   B 32  ? 0.776519 0.866795 0.696603 0.170701    -0.286798   -0.158443   44  GLU   A CA   
2315 C C    . GLU   B 32  ? 0.690226 0.762312 0.642552 0.155617    -0.2567     -0.135839   44  GLU   A C    
2316 O O    . GLU   B 32  ? 0.643462 0.700862 0.570745 0.163116    -0.23112    -0.116973   44  GLU   A O    
2317 C CB   . GLU   B 32  ? 0.794834 0.924414 0.71243  0.186192    -0.303361   -0.147793   44  GLU   A CB   
2318 C CG   . GLU   B 32  ? 0.835122 0.988727 0.71239  0.203169    -0.33399    -0.168518   44  GLU   A CG   
2319 C CD   . GLU   B 32  ? 0.855556 1.05166  0.739803 0.217166    -0.353338   -0.15416    44  GLU   A CD   
2320 O OE1  . GLU   B 32  ? 0.819989 1.04597  0.72959  0.213572    -0.385871   -0.173234   44  GLU   A OE1  
2321 O OE2  . GLU   B 32  ? 0.873785 1.07349  0.741226 0.232327    -0.336452   -0.121664   44  GLU   A OE2  
2322 H H    . GLU   B 32  ? 0.82395  0.928618 0.805349 0.146744    -0.32725    -0.193352   44  GLU   A H    
2323 H HA   . GLU   B 32  ? 0.79186  0.871469 0.671176 0.18194     -0.280422   -0.161404   44  GLU   A HA   
2324 H HB2  . GLU   B 32  ? 0.778375 0.921893 0.738774 0.17569     -0.310761   -0.147286   44  GLU   A HB2  
2325 H HB3  . GLU   B 32  ? 0.780882 0.909872 0.683913 0.196139    -0.286713   -0.125325   44  GLU   A HB3  
2326 H HG2  . GLU   B 32  ? 0.854397 1.00006  0.686958 0.215522    -0.325148   -0.166662   44  GLU   A HG2  
2327 H HG3  . GLU   B 32  ? 0.853602 1.00485  0.744069 0.193489    -0.351421   -0.194141   44  GLU   A HG3  
2328 N N    . GLU   B 33  ? 0.667886 0.74195  0.675441 0.132745    -0.260062   -0.139019   45  GLU   A N    
2329 C CA   . GLU   B 33  ? 0.64426  0.717154 0.685859 0.119858    -0.234699   -0.11697    45  GLU   A CA   
2330 C C    . GLU   B 33  ? 0.599091 0.637728 0.613866 0.118732    -0.20829    -0.107964   45  GLU   A C    
2331 O O    . GLU   B 33  ? 0.589675 0.603252 0.58852  0.115271    -0.212076   -0.122116   45  GLU   A O    
2332 C CB   . GLU   B 33  ? 0.68027  0.762528 0.78255  0.0929366   -0.238788   -0.119388   45  GLU   A CB   
2333 C CG   . GLU   B 33  ? 0.79302  0.901223 0.92792  0.0856188   -0.272422   -0.13878    45  GLU   A CG   
2334 C CD   . GLU   B 33  ? 0.792365 0.930632 0.995787 0.062637    -0.27549    -0.133409   45  GLU   A CD   
2335 O OE1  . GLU   B 33  ? 0.785835 0.949505 1.01223  0.0643091   -0.256648   -0.114106   45  GLU   A OE1  
2336 O OE2  . GLU   B 33  ? 0.761013 0.898731 0.996395 0.0434799   -0.297785   -0.15027    45  GLU   A OE2  
2337 H H    . GLU   B 33  ? 0.691697 0.769144 0.716003 0.124515    -0.278732   -0.155858   45  GLU   A H    
2338 H HA   . GLU   B 33  ? 0.635531 0.725051 0.67766  0.13        -0.229407   -0.103974   45  GLU   A HA   
2339 H HB2  . GLU   B 33  ? 0.682731 0.741632 0.78584  0.0816807   -0.233303   -0.122216   45  GLU   A HB2  
2340 H HB3  . GLU   B 33  ? 0.664065 0.759813 0.786351 0.0903222   -0.224219   -0.104594   45  GLU   A HB3  
2341 H HG2  . GLU   B 33  ? 0.783868 0.909822 0.902382 0.101699    -0.282915   -0.140501   45  GLU   A HG2  
2342 H HG3  . GLU   B 33  ? 0.793494 0.883278 0.91984  0.081005    -0.28536    -0.155732   45  GLU   A HG3  
2343 N N    . THR   B 34  ? 0.551329 0.590477 0.563889 0.12291     -0.1832     -0.0859667  46  THR   A N    
2344 C CA   . THR   B 34  ? 0.511498 0.52552  0.512537 0.11689     -0.15749    -0.0753683  46  THR   A CA   
2345 C C    . THR   B 34  ? 0.47452  0.500895 0.511085 0.105581    -0.139212   -0.0605386  46  THR   A C    
2346 O O    . THR   B 34  ? 0.493837 0.545956 0.552182 0.111402    -0.141653   -0.0554642  46  THR   A O    
2347 C CB   . THR   B 34  ? 0.501106 0.504145 0.455183 0.13608     -0.145043   -0.0660983  46  THR   A CB   
2348 O OG1  . THR   B 34  ? 0.479192 0.499749 0.441953 0.146       -0.140149   -0.050871   46  THR   A OG1  
2349 C CG2  . THR   B 34  ? 0.540252 0.542385 0.456014 0.150577    -0.162401   -0.0810505  46  THR   A CG2  
2350 H H    . THR   B 34  ? 0.549491 0.605779 0.569118 0.130331    -0.183214   -0.0780331  46  THR   A H    
2351 H HA   . THR   B 34  ? 0.515114 0.51395  0.517429 0.107859    -0.160833   -0.0840071  46  THR   A HA   
2352 H HB   . THR   B 34  ? 0.489194 0.476699 0.435995 0.13189     -0.129186   -0.060366   46  THR   A HB   
2354 H HG21 . THR   B 34  ? 0.54249  0.536191 0.429621 0.159225    -0.150965   -0.0745942  46  THR   A HG21 
2355 H HG22 . THR   B 34  ? 0.553162 0.573061 0.467777 0.158751    -0.175513   -0.0820292  46  THR   A HG22 
2356 H HG23 . THR   B 34  ? 0.547481 0.541201 0.468896 0.143383    -0.172113   -0.0963715  46  THR   A HG23 
2357 N N    . PRO   B 35  ? 0.456001 0.466618 0.495364 0.0926575   -0.119601   -0.0531689  47  PRO   A N    
2358 C CA   . PRO   B 35  ? 0.425368 0.45256  0.498314 0.0791205   -0.103351   -0.0430332  47  PRO   A CA   
2359 C C    . PRO   B 35  ? 0.402638 0.439762 0.472868 0.0923214   -0.0866531  -0.0336106  47  PRO   A C    
2360 O O    . PRO   B 35  ? 0.428033 0.448357 0.46656  0.106726    -0.0807857  -0.0292676  47  PRO   A O    
2361 C CB   . PRO   B 35  ? 0.422086 0.428521 0.488229 0.0646282   -0.0899526  -0.03782    47  PRO   A CB   
2362 C CG   . PRO   B 35  ? 0.430564 0.407548 0.454704 0.0766434   -0.0918053  -0.0424611  47  PRO   A CG   
2363 C CD   . PRO   B 35  ? 0.460342 0.441248 0.468408 0.0930144   -0.111272   -0.0537986  47  PRO   A CD   
2364 H HA   . PRO   B 35  ? 0.427328 0.472428 0.529312 0.0707025   -0.112564   -0.0461209  47  PRO   A HA   
2365 H HB2  . PRO   B 35  ? 0.404717 0.416875 0.473766 0.0621191   -0.0737448  -0.0299728  47  PRO   A HB2  
2366 H HB3  . PRO   B 35  ? 0.423373 0.431171 0.509488 0.0508755   -0.0969958  -0.0393641  47  PRO   A HB3  
2367 H HG2  . PRO   B 35  ? 0.423338 0.395382 0.43155  0.0822485   -0.0777054  -0.035636   47  PRO   A HG2  
2368 H HG3  . PRO   B 35  ? 0.437301 0.400214 0.461881 0.0684955   -0.0949905  -0.0450206  47  PRO   A HG3  
2369 H HD2  . PRO   B 35  ? 0.461084 0.436902 0.443233 0.10577     -0.105276   -0.0502779  47  PRO   A HD2  
2370 H HD3  . PRO   B 35  ? 0.473147 0.444653 0.478374 0.0908875   -0.124377   -0.0647114  47  PRO   A HD3  
2371 N N    . MET   B 36  ? 0.400466 0.466166 0.507506 0.0873346   -0.0798529  -0.0310685  48  MET   A N    
2372 C CA   . MET   B 36  ? 0.377784 0.453524 0.491844 0.0996889   -0.0640857  -0.0259799  48  MET   A CA   
2373 C C    . MET   B 36  ? 0.340745 0.414009 0.455244 0.0878786   -0.0400825  -0.0228796  48  MET   A C    
2374 O O    . MET   B 36  ? 0.32547  0.404371 0.449075 0.0685209   -0.0368299  -0.0215243  48  MET   A O    
2375 C CB   . MET   B 36  ? 0.380611 0.496768 0.540138 0.102096    -0.0692945  -0.0285992  48  MET   A CB   
2376 C CG   . MET   B 36  ? 0.414895 0.543841 0.581619 0.11249     -0.0959757  -0.0325249  48  MET   A CG   
2377 S SD   . MET   B 36  ? 0.44735  0.554149 0.575795 0.141342    -0.101906   -0.0249866  48  MET   A SD   
2378 C CE   . MET   B 36  ? 0.544202 0.662819 0.662277 0.148647    -0.136588   -0.031779   48  MET   A CE   
2379 H H    . MET   B 36  ? 0.393792 0.474278 0.52506  0.0757544   -0.0854497  -0.0333359  48  MET   A H    
2380 H HA   . MET   B 36  ? 0.385681 0.446849 0.478225 0.113607    -0.0652763  -0.0231649  48  MET   A HA   
2381 H HB2  . MET   B 36  ? 0.375615 0.507836 0.556505 0.0867849   -0.0654931  -0.0294416  48  MET   A HB2  
2382 H HB3  . MET   B 36  ? 0.38053  0.501634 0.546226 0.11202     -0.0584127  -0.0269342  48  MET   A HB3  
2383 H HG2  . MET   B 36  ? 0.418852 0.540956 0.578847 0.10331     -0.107772   -0.037103   48  MET   A HG2  
2384 H HG3  . MET   B 36  ? 0.410721 0.568969 0.610968 0.112695    -0.0992321  -0.0341365  48  MET   A HG3  
2385 H HE1  . MET   B 36  ? 0.539645 0.651618 0.636126 0.164554    -0.141132   -0.0251504  48  MET   A HE1  
2386 H HE2  . MET   B 36  ? 0.527801 0.633822 0.630278 0.138982    -0.141345   -0.038427   48  MET   A HE2  
2387 H HE3  . MET   B 36  ? 0.524577 0.670362 0.674896 0.146546    -0.146622   -0.0358866  48  MET   A HE3  
2388 N N    . ILE   B 37  ? 0.330571 0.397723 0.438536 0.0994483   -0.0248604  -0.0216317  49  ILE   A N    
2389 C CA   . ILE   B 37  ? 0.346311 0.417297 0.455432 0.0899652   -0.0031717  -0.0228437  49  ILE   A CA   
2390 C C    . ILE   B 37  ? 0.338765 0.448618 0.481458 0.0741536   0.00214583  -0.0241372  49  ILE   A C    
2391 O O    . ILE   B 37  ? 0.356406 0.496471 0.532837 0.0776531   -0.00483265 -0.026712   49  ILE   A O    
2392 C CB   . ILE   B 37  ? 0.37961  0.445941 0.491709 0.106032    0.00941567  -0.0268473  49  ILE   A CB   
2393 C CG1  . ILE   B 37  ? 0.402269 0.432672 0.487199 0.120611    0.00428446  -0.0204778  49  ILE   A CG1  
2394 C CG2  . ILE   B 37  ? 0.36916  0.443664 0.481194 0.096622    0.0307772   -0.0335082  49  ILE   A CG2  
2395 C CD1  . ILE   B 37  ? 0.419756 0.422312 0.470527 0.111913    0.0102694   -0.0164254  49  ILE   A CD1  
2396 H H    . ILE   B 37  ? 0.347751 0.408579 0.450983 0.113368    -0.028779   -0.0202459  49  ILE   A H    
2397 H HA   . ILE   B 37  ? 0.34386  0.396715 0.431257 0.0830565   -0.00039747 -0.0201804  49  ILE   A HA   
2398 H HB   . ILE   B 37  ? 0.377773 0.463503 0.514113 0.113996    0.00629299  -0.0296062  49  ILE   A HB   
2399 H HG12 . ILE   B 37  ? 0.410098 0.440532 0.492853 0.12679     -0.00940584 -0.0165887  49  ILE   A HG12 
2400 H HG13 . ILE   B 37  ? 0.411075 0.438311 0.505198 0.130983    0.0100394   -0.0223279  49  ILE   A HG13 
2401 H HG21 . ILE   B 37  ? 0.376626 0.436979 0.483598 0.105686    0.0370122   -0.037214   49  ILE   A HG21 
2402 H HG22 . ILE   B 37  ? 0.365213 0.431849 0.460244 0.0846315   0.0325599   -0.0299447  49  ILE   A HG22 
2403 H HG23 . ILE   B 37  ? 0.367517 0.470704 0.502117 0.0937493   0.0359754   -0.0377925  49  ILE   A HG23 
2404 H HD11 . ILE   B 37  ? 0.408803 0.411321 0.460335 0.106338    0.0225522   -0.0205783  49  ILE   A HD11 
2405 H HD12 . ILE   B 37  ? 0.423079 0.407561 0.45965  0.120912    0.00737969  -0.0107602  49  ILE   A HD12 
2406 H HD13 . ILE   B 37  ? 0.408134 0.412025 0.451229 0.103049    0.00441025  -0.0152455  49  ILE   A HD13 
2407 N N    . GLY   B 38  ? 0.313479 0.426402 0.448215 0.0566263   0.0146499   -0.0203622  50  GLY   A N    
2408 C CA   . GLY   B 38  ? 0.317564 0.469988 0.480572 0.0395303   0.0232614   -0.0167591  50  GLY   A CA   
2409 C C    . GLY   B 38  ? 0.341828 0.496193 0.520292 0.0215579   0.00695831  -0.00772369 50  GLY   A C    
2410 O O    . GLY   B 38  ? 0.365457 0.549156 0.567334 0.00271177  0.0133247   0.00089049  50  GLY   A O    
2411 H H    . GLY   B 38  ? 0.319191 0.410983 0.430296 0.0551397   0.0179613   -0.0185467  50  GLY   A H    
2412 H HA2  . GLY   B 38  ? 0.318776 0.473493 0.469662 0.032502    0.0361058   -0.0148346  50  GLY   A HA2  
2413 H HA3  . GLY   B 38  ? 0.320158 0.498236 0.506379 0.04645     0.0274561   -0.022093   50  GLY   A HA3  
2414 N N    . ASP   B 39  ? 0.361993 0.487372 0.529836 0.0271179   -0.0144118  -0.0101585  51  ASP   A N    
2415 C CA   . ASP   B 39  ? 0.364321 0.483546 0.546581 0.0109294   -0.0325703  -0.00636927 51  ASP   A CA   
2416 C C    . ASP   B 39  ? 0.385166 0.483369 0.550244 -0.00524506 -0.0264017  0.00492202  51  ASP   A C    
2417 O O    . ASP   B 39  ? 0.368899 0.444393 0.499504 0.00258372  -0.0172459  0.00521611  51  ASP   A O    
2418 C CB   . ASP   B 39  ? 0.369069 0.459628 0.534472 0.0233456   -0.0557545  -0.0160832  51  ASP   A CB   
2419 C CG   . ASP   B 39  ? 0.395836 0.51007  0.585117 0.034207    -0.0716051  -0.0246739  51  ASP   A CG   
2420 O OD1  . ASP   B 39  ? 0.382517 0.536787 0.609797 0.0297334   -0.0654556  -0.0227743  51  ASP   A OD1  
2421 O OD2  . ASP   B 39  ? 0.423976 0.520771 0.594123 0.047559    -0.0903855  -0.0332459  51  ASP   A OD2  
2422 H H    . ASP   B 39  ? 0.357722 0.466807 0.509068 0.0413761   -0.0179161  -0.0148085  51  ASP   A H    
2423 H HA   . ASP   B 39  ? 0.368373 0.515996 0.582425 0.00208388  -0.033786   -0.00449658 51  ASP   A HA   
2424 H HB2  . ASP   B 39  ? 0.373897 0.444157 0.510181 0.0351639   -0.0517732  -0.0177151  51  ASP   A HB2  
2425 H HB3  . ASP   B 39  ? 0.384177 0.460639 0.551225 0.0128      -0.0658817  -0.0153869  51  ASP   A HB3  
2426 N N    . LYS   B 40  ? 0.389508 0.497482 0.582432 -0.0279209  -0.0318998  0.0157377   52  LYS   A N    
2427 C CA   . LYS   B 40  ? 0.40264  0.48747  0.585415 -0.0436129  -0.0316106  0.0299513   52  LYS   A CA   
2428 C C    . LYS   B 40  ? 0.397638 0.436928 0.566875 -0.037814   -0.0542007  0.0208973   52  LYS   A C    
2429 O O    . LYS   B 40  ? 0.369836 0.404824 0.558135 -0.0379106  -0.0742417  0.00992917  52  LYS   A O    
2430 C CB   . LYS   B 40  ? 0.446864 0.559508 0.668637 -0.0708679  -0.0288083  0.0487023   52  LYS   A CB   
2431 C CG   . LYS   B 40  ? 0.475497 0.587396 0.683894 -0.0857328  -0.0147487  0.0711922   52  LYS   A CG   
2432 C CD   . LYS   B 40  ? 0.531433 0.682493 0.778124 -0.112447   -0.00687631 0.0937027   52  LYS   A CD   
2433 C CE   . LYS   B 40  ? 0.585591 0.715395 0.869044 -0.131746   -0.0293602  0.102354    52  LYS   A CE   
2434 N NZ   . LYS   B 40  ? 0.619386 0.707855 0.889084 -0.141022   -0.0363496  0.120307    52  LYS   A NZ   
2435 H H    . LYS   B 40  ? 0.393727 0.523871 0.615346 -0.0338752  -0.0366728  0.0153258   52  LYS   A H    
2436 H HA   . LYS   B 40  ? 0.398373 0.480438 0.557987 -0.0394957  -0.0184754  0.0333178   52  LYS   A HA   
2437 H HB2  . LYS   B 40  ? 0.436941 0.584919 0.677744 -0.0717482  -0.0203148  0.0477469   52  LYS   A HB2  
2438 H HB3  . LYS   B 40  ? 0.456201 0.555278 0.696456 -0.0786497  -0.0455212  0.0478362   52  LYS   A HB3  
2439 H HG2  . LYS   B 40  ? 0.489987 0.567966 0.68746  -0.0865953  -0.0252768  0.0740413   52  LYS   A HG2  
2440 H HG3  . LYS   B 40  ? 0.469062 0.589911 0.654549 -0.0766777  -0.00046509 0.068693    52  LYS   A HG3  
2441 H HD2  . LYS   B 40  ? 0.532379 0.690521 0.765238 -0.119435   0.00513647  0.108644    52  LYS   A HD2  
2442 H HD3  . LYS   B 40  ? 0.518474 0.705098 0.781278 -0.110528   0.00172103  0.0882778   52  LYS   A HD3  
2443 H HE2  . LYS   B 40  ? 0.585977 0.747721 0.900964 -0.147754   -0.0246868  0.1136      52  LYS   A HE2  
2444 H HE3  . LYS   B 40  ? 0.578628 0.691055 0.866177 -0.122427   -0.0448513  0.0849622   52  LYS   A HE3  
2445 H HZ1  . LYS   B 40  ? 0.616341 0.721664 0.878382 -0.148508   -0.022565   0.137238    52  LYS   A HZ1  
2446 H HZ2  . LYS   B 40  ? 0.610312 0.670376 0.854478 -0.126189   -0.0417374  0.10892     52  LYS   A HZ2  
2447 H HZ3  . LYS   B 40  ? 0.631881 0.706957 0.927482 -0.154044   -0.0495306  0.126329    52  LYS   A HZ3  
2448 N N    . VAL   B 41  ? 0.451425 0.459871 0.587595 -0.0314378  -0.0510137  0.0232713   53  VAL   A N    
2449 C CA   . VAL   B 41  ? 0.480574 0.44918  0.597714 -0.0196693  -0.0682373  0.0108118   53  VAL   A CA   
2450 C C    . VAL   B 41  ? 0.480469 0.42016  0.599923 -0.0310929  -0.0742843  0.0223957   53  VAL   A C    
2451 O O    . VAL   B 41  ? 0.481072 0.427353 0.595366 -0.0402069  -0.0603067  0.0410397   53  VAL   A O    
2452 C CB   . VAL   B 41  ? 0.490164 0.450712 0.567862 0.00288237  -0.0587593  0.001903    53  VAL   A CB   
2453 C CG1  . VAL   B 41  ? 0.525789 0.452234 0.57936  0.01659     -0.0710921  -0.00966894 53  VAL   A CG1  
2454 C CG2  . VAL   B 41  ? 0.498841 0.481315 0.577223 0.0158127   -0.0565683  -0.00738805 53  VAL   A CG2  
2455 H H    . VAL   B 41  ? 0.434261 0.44913  0.559719 -0.0339785  -0.0376072  0.0320803   53  VAL   A H    
2456 H HA   . VAL   B 41  ? 0.485459 0.453102 0.615439 -0.0183021  -0.0823658  0.00050415  53  VAL   A HA   
2457 H HB   . VAL   B 41  ? 0.483915 0.449376 0.552142 0.00025646  -0.0449305  0.0108332   53  VAL   A HB   
2458 H HG11 . VAL   B 41  ? 0.532494 0.451951 0.596685 0.0163893   -0.0864445  -0.0189707  53  VAL   A HG11 
2459 H HG12 . VAL   B 41  ? 0.521737 0.434786 0.571421 0.0122651   -0.0690183  -0.00274353 53  VAL   A HG12 
2460 H HG13 . VAL   B 41  ? 0.511975 0.438533 0.54433  0.0302082   -0.0658568  -0.0148844  53  VAL   A HG13 
2461 H HG21 . VAL   B 41  ? 0.488445 0.461879 0.543208 0.029251    -0.0526103  -0.01145    53  VAL   A HG21 
2462 H HG22 . VAL   B 41  ? 0.482296 0.487075 0.573181 0.0103566   -0.0454543  -0.00154567 53  VAL   A HG22 
2463 H HG23 . VAL   B 41  ? 0.502107 0.486344 0.593222 0.016435    -0.0706986  -0.0149023  53  VAL   A HG23 
2464 N N    . TYR   B 42  ? 0.495619 0.403665 0.62217  -0.0286842  -0.0963233  0.00983586  54  TYR   A N    
2465 C CA   . TYR   B 42  ? 0.53025  0.403383 0.663542 -0.0356341  -0.106097   0.0177557   54  TYR   A CA   
2466 C C    . TYR   B 42  ? 0.510655 0.351941 0.615323 -0.0125793  -0.114915   -0.00236482 54  TYR   A C    
2467 O O    . TYR   B 42  ? 0.541476 0.375135 0.641717 -0.00072222 -0.129428   -0.0265511  54  TYR   A O    
2468 C CB   . TYR   B 42  ? 0.576321 0.437032 0.753962 -0.0555656  -0.12639    0.0189835   54  TYR   A CB   
2469 C CG   . TYR   B 42  ? 0.616982 0.514984 0.829519 -0.0806609  -0.117508   0.0403843   54  TYR   A CG   
2470 C CD1  . TYR   B 42  ? 0.632706 0.568946 0.858502 -0.0808105  -0.115083   0.0309187   54  TYR   A CD1  
2471 C CD2  . TYR   B 42  ? 0.637053 0.536381 0.870187 -0.103275   -0.11107    0.0715346   54  TYR   A CD2  
2472 C CE1  . TYR   B 42  ? 0.590581 0.567933 0.851317 -0.102089   -0.105093   0.048856    54  TYR   A CE1  
2473 C CE2  . TYR   B 42  ? 0.64565  0.586269 0.910556 -0.126491   -0.1005     0.0919973   54  TYR   A CE2  
2474 C CZ   . TYR   B 42  ? 0.616724 0.597528 0.896268 -0.12547    -0.0967788  0.0791161   54  TYR   A CZ   
2475 O OH   . TYR   B 42  ? 0.627954 0.655771 0.941063 -0.146146   -0.0846349  0.0971364   54  TYR   A OH   
2476 H H    . TYR   B 42  ? 0.504592 0.412757 0.632152 -0.0214862  -0.106342   -0.00505539 54  TYR   A H    
2477 H HA   . TYR   B 42  ? 0.518908 0.39788  0.648616 -0.0424782  -0.094263   0.03581     54  TYR   A HA   
2478 H HB2  . TYR   B 42  ? 0.589887 0.4448   0.769638 -0.0482581  -0.139866   -0.00127097 54  TYR   A HB2  
2479 H HB3  . TYR   B 42  ? 0.600645 0.434221 0.784112 -0.0592119  -0.133328   0.0251886   54  TYR   A HB3  
2480 H HD1  . TYR   B 42  ? 0.61026  0.546583 0.821412 -0.065341   -0.120066   0.0126461   54  TYR   A HD1  
2481 H HD2  . TYR   B 42  ? 0.650657 0.52452  0.876975 -0.102634   -0.113952   0.0798679   54  TYR   A HD2  
2482 H HE1  . TYR   B 42  ? 0.59174  0.59626  0.863847 -0.100328   -0.103931   0.0415639   54  TYR   A HE1  
2483 H HE2  . TYR   B 42  ? 0.651392 0.595257 0.928217 -0.142196   -0.0953883  0.115476    54  TYR   A HE2  
2485 N N    . VAL   B 43  ? 0.494216 0.321186 0.580596 -0.00618316 -0.106707   0.00745632  55  VAL   A N    
2486 C CA   . VAL   B 43  ? 0.508565 0.311855 0.570608 0.0165094   -0.112091   -0.0106608  55  VAL   A CA   
2487 C C    . VAL   B 43  ? 0.539416 0.311938 0.611146 0.0161457   -0.119023   -0.00094722 55  VAL   A C    
2488 O O    . VAL   B 43  ? 0.538371 0.31297  0.624136 2.253e-05   -0.114013   0.0260392   55  VAL   A O    
2489 C CB   . VAL   B 43  ? 0.507275 0.329971 0.533166 0.0323546   -0.0929261  -0.0119373  55  VAL   A CB   
2490 C CG1  . VAL   B 43  ? 0.49822  0.346917 0.514108 0.0364288   -0.0864953  -0.0196617  55  VAL   A CG1  
2491 C CG2  . VAL   B 43  ? 0.484368 0.318865 0.505594 0.0238651   -0.0765639  0.0116939   55  VAL   A CG2  
2492 H H    . VAL   B 43  ? 0.493248 0.328313 0.582811 -0.0157935  -0.0975987  0.0256507   55  VAL   A H    
2493 H HA   . VAL   B 43  ? 0.527894 0.322925 0.591463 0.0230952   -0.124354   -0.0291774  55  VAL   A HA   
2494 H HB   . VAL   B 43  ? 0.5119   0.321907 0.524118 0.0469725   -0.0965456  -0.0239977  55  VAL   A HB   
2495 H HG11 . VAL   B 43  ? 0.486433 0.350536 0.516679 0.0238178   -0.0817342  -0.00941825 55  VAL   A HG11 
2496 H HG12 . VAL   B 43  ? 0.508798 0.352149 0.526007 0.0422027   -0.0985399  -0.0344164  55  VAL   A HG12 
2497 H HG13 . VAL   B 43  ? 0.483444 0.339706 0.478411 0.0462029   -0.0755352  -0.0199043  55  VAL   A HG13 
2498 H HG21 . VAL   B 43  ? 0.469224 0.317403 0.471818 0.0310862   -0.06493    0.010046    55  VAL   A HG21 
2499 H HG22 . VAL   B 43  ? 0.497499 0.315879 0.520391 0.0263487   -0.0809011  0.0157547   55  VAL   A HG22 
2500 H HG23 . VAL   B 43  ? 0.482015 0.328039 0.517751 0.00894094  -0.0737599  0.0242691   55  VAL   A HG23 
2501 N N    . HIS   B 44  ? 0.537662 0.284487 0.60031  0.0362445   -0.130329   -0.0234295  56  HIS   A N    
2502 C CA   . HIS   B 44  ? 0.553005 0.279042 0.613316 0.0475174   -0.131011   -0.0184676  56  HIS   A CA   
2503 C C    . HIS   B 44  ? 0.526983 0.271864 0.551091 0.0698708   -0.116201   -0.0302107  56  HIS   A C    
2504 O O    . HIS   B 44  ? 0.501777 0.261523 0.505279 0.080053    -0.112807   -0.0482142  56  HIS   A O    
2505 C CB   . HIS   B 44  ? 0.597664 0.27953  0.683349 0.0535234   -0.154908   -0.0344965  56  HIS   A CB   
2506 C CG   . HIS   B 44  ? 0.616059 0.273325 0.742839 0.0297105   -0.167846   -0.0114406  56  HIS   A CG   
2507 N ND1  . HIS   B 44  ? 0.587303 0.247172 0.723927 0.0159863   -0.160465   0.025793    56  HIS   A ND1  
2508 C CD2  . HIS   B 44  ? 0.645638 0.275738 0.807581 0.016125    -0.188812   -0.0194865  56  HIS   A CD2  
2509 C CE1  . HIS   B 44  ? 0.620719 0.257979 0.795729 -0.00594153 -0.174217   0.043318    56  HIS   A CE1  
2510 N NE2  . HIS   B 44  ? 0.646498 0.263557 0.840314 -0.00698776 -0.191891   0.0157907   56  HIS   A NE2  
2511 H H    . HIS   B 44  ? 0.552067 0.29655  0.610135 0.0440857   -0.138031   -0.0431553  56  HIS   A H    
2512 H HA   . HIS   B 44  ? 0.544453 0.275932 0.611649 0.035944    -0.124727   0.00483921  56  HIS   A HA   
2513 H HB2  . HIS   B 44  ? 0.607069 0.285456 0.690038 0.0596369   -0.163548   -0.0576055  56  HIS   A HB2  
2514 H HB3  . HIS   B 44  ? 0.60363  0.276356 0.681676 0.0688802   -0.154078   -0.0391414  56  HIS   A HB3  
2516 H HD2  . HIS   B 44  ? 0.655122 0.278937 0.819342 0.020426    -0.199461   -0.0437642  56  HIS   A HD2  
2517 H HE1  . HIS   B 44  ? 0.629143 0.264461 0.816405 -0.0184466  -0.172732   0.0709765   56  HIS   A HE1  
2519 N N    . TYR   B 45  ? 0.535962 0.282932 0.554402 0.0760058   -0.107665   -0.0167517  57  TYR   A N    
2520 C CA   . TYR   B 45  ? 0.510972 0.278511 0.501619 0.0940911   -0.0928716  -0.0243019  57  TYR   A CA   
2521 C C    . TYR   B 45  ? 0.520643 0.280277 0.517316 0.106057    -0.0935884  -0.0182107  57  TYR   A C    
2522 O O    . TYR   B 45  ? 0.541001 0.28104  0.560595 0.0989047   -0.103872   -0.0022036  57  TYR   A O    
2523 C CB   . TYR   B 45  ? 0.454357 0.254829 0.428295 0.0837898   -0.0732567  -0.00911694 57  TYR   A CB   
2524 C CG   . TYR   B 45  ? 0.42437  0.235311 0.405087 0.0693657   -0.06639    0.0174658   57  TYR   A CG   
2525 C CD1  . TYR   B 45  ? 0.42525  0.237778 0.421137 0.0482681   -0.0685238  0.0361328   57  TYR   A CD1  
2526 C CD2  . TYR   B 45  ? 0.405784 0.230523 0.377435 0.0759272   -0.0576391  0.0247773   57  TYR   A CD2  
2527 C CE1  . TYR   B 45  ? 0.418922 0.246074 0.415882 0.035532    -0.0624115  0.0608685   57  TYR   A CE1  
2528 C CE2  . TYR   B 45  ? 0.409971 0.248231 0.384581 0.063156    -0.0536446  0.0476985   57  TYR   A CE2  
2529 C CZ   . TYR   B 45  ? 0.408405 0.249143 0.392626 0.0429917   -0.0554763  0.0662672   57  TYR   A CZ   
2530 O OH   . TYR   B 45  ? 0.372903 0.231971 0.354977 0.030589    -0.0514532  0.0891667   57  TYR   A OH   
2531 H H    . TYR   B 45  ? 0.53867  0.275497 0.572259 0.0681911   -0.111535   -0.00132126 57  TYR   A H    
2532 H HA   . TYR   B 45  ? 0.515919 0.282943 0.495521 0.106391    -0.0952474  -0.0440592  57  TYR   A HA   
2533 H HB2  . TYR   B 45  ? 0.446313 0.258648 0.403487 0.0951474   -0.0647342  -0.0164687  57  TYR   A HB2  
2534 H HB3  . TYR   B 45  ? 0.448795 0.254491 0.423532 0.0757559   -0.0733887  -0.0105594  57  TYR   A HB3  
2535 H HD1  . TYR   B 45  ? 0.431453 0.237263 0.437642 0.0418826   -0.0746647  0.0324228   57  TYR   A HD1  
2536 H HD2  . TYR   B 45  ? 0.409912 0.237834 0.372979 0.0895603   -0.0544637  0.0138416   57  TYR   A HD2  
2537 H HE1  . TYR   B 45  ? 0.421557 0.253184 0.427561 0.0210775   -0.0626961  0.0739678   57  TYR   A HE1  
2538 H HE2  . TYR   B 45  ? 0.400714 0.250313 0.36991  0.0681463   -0.0491342  0.0507318   57  TYR   A HE2  
2540 N N    . LYS   B 46  ? 0.532922 0.310738 0.510445 0.124586    -0.0824264  -0.0292296  58  LYS   A N    
2541 C CA   . LYS   B 46  ? 0.543552 0.327946 0.52649  0.135519    -0.0788399  -0.0212072  58  LYS   A CA   
2542 C C    . LYS   B 46  ? 0.495092 0.316701 0.455632 0.13788     -0.0582454  -0.0187945  58  LYS   A C    
2543 O O    . LYS   B 46  ? 0.50364  0.337473 0.444783 0.141664    -0.0497443  -0.0306398  58  LYS   A O    
2544 C CB   . LYS   B 46  ? 0.582493 0.348297 0.577541 0.160646    -0.0895003  -0.0407668  58  LYS   A CB   
2545 C CG   . LYS   B 46  ? 0.662428 0.397166 0.663943 0.169142    -0.106031   -0.0677418  58  LYS   A CG   
2546 C CD   . LYS   B 46  ? 0.70605  0.404945 0.735029 0.186599    -0.124466   -0.081472   58  LYS   A CD   
2547 C CE   . LYS   B 46  ? 0.718773 0.427371 0.739207 0.218444    -0.120851   -0.111504   58  LYS   A CE   
2548 N NZ   . LYS   B 46  ? 0.775247 0.441399 0.816661 0.232456    -0.142893   -0.139788   58  LYS   A NZ   
2549 H H    . LYS   B 46  ? 0.52433  0.31283  0.486127 0.130474    -0.0769928  -0.0410797  58  LYS   A H    
2550 H HA   . LYS   B 46  ? 0.537045 0.317868 0.531664 0.123818    -0.0818486  -0.00205662 58  LYS   A HA   
2551 H HB2  . LYS   B 46  ? 0.584139 0.370309 0.567185 0.173522    -0.0793151  -0.049029   58  LYS   A HB2  
2552 H HB3  . LYS   B 46  ? 0.599993 0.355764 0.612324 0.160041    -0.0959281  -0.0279374  58  LYS   A HB3  
2553 H HG2  . LYS   B 46  ? 0.64854  0.373091 0.655514 0.152742    -0.111721   -0.0609859  58  LYS   A HG2  
2554 H HG3  . LYS   B 46  ? 0.649655 0.398311 0.631976 0.179249    -0.0998524  -0.0850809  58  LYS   A HG3  
2555 H HD2  . LYS   B 46  ? 0.703825 0.397163 0.748702 0.181899    -0.126869   -0.0611217  58  LYS   A HD2  
2556 H HD3  . LYS   B 46  ? 0.724619 0.39776  0.76498  0.180625    -0.138032   -0.0896308  58  LYS   A HD3  
2557 H HE2  . LYS   B 46  ? 0.710356 0.441836 0.706507 0.222385    -0.110339   -0.122557   58  LYS   A HE2  
2558 H HE3  . LYS   B 46  ? 0.715813 0.436769 0.742416 0.226399    -0.114964   -0.10212    58  LYS   A HE3  
2559 H HZ1  . LYS   B 46  ? 0.779743 0.438286 0.814288 0.226174    -0.148561   -0.151647   58  LYS   A HZ1  
2560 H HZ2  . LYS   B 46  ? 0.78612  0.427491 0.851957 0.226754    -0.153676   -0.127027   58  LYS   A HZ2  
2561 H HZ3  . LYS   B 46  ? 0.788351 0.460853 0.826434 0.253637    -0.140728   -0.159073   58  LYS   A HZ3  
2562 N N    . GLY   B 47  ? 0.474876 0.313869 0.440195 0.133061    -0.0519474  -0.00074602 59  GLY   A N    
2563 C CA   . GLY   B 47  ? 0.45001  0.322028 0.401038 0.128381    -0.0343874  0.00515216  59  GLY   A CA   
2564 C C    . GLY   B 47  ? 0.430782 0.322302 0.392063 0.138511    -0.031667   0.0105641   59  GLY   A C    
2565 O O    . GLY   B 47  ? 0.487426 0.368751 0.466898 0.142933    -0.043745   0.018996    59  GLY   A O    
2566 H H    . GLY   B 47  ? 0.487315 0.316723 0.466725 0.132338    -0.0601071  0.00850482  59  GLY   A H    
2567 H HA2  . GLY   B 47  ? 0.441796 0.320244 0.380169 0.133916    -0.027295   -0.00560966 59  GLY   A HA2  
2568 H HA3  . GLY   B 47  ? 0.432363 0.309345 0.381026 0.112793    -0.0315747  0.0164622   59  GLY   A HA3  
2569 N N    . LYS   B 48  ? 0.397389 0.31732  0.349888 0.143395    -0.016566   0.00604836  60  LYS   A N    
2570 C CA   . LYS   B 48  ? 0.405842 0.353639 0.37089  0.14923     -0.0119623  0.0120217   60  LYS   A CA   
2571 C C    . LYS   B 48  ? 0.385934 0.363278 0.341129 0.138805    0.00580729  0.014815    60  LYS   A C    
2572 O O    . LYS   B 48  ? 0.382937 0.356344 0.321107 0.134006    0.0146424   0.010121    60  LYS   A O    
2573 C CB   . LYS   B 48  ? 0.454243 0.404846 0.432455 0.17616     -0.0151228  -0.00182464 60  LYS   A CB   
2574 C CG   . LYS   B 48  ? 0.493913 0.450576 0.456384 0.192681    -0.00475933 -0.0228723  60  LYS   A CG   
2575 C CD   . LYS   B 48  ? 0.51828  0.491764 0.494079 0.220707    -0.00286796 -0.0382353  60  LYS   A CD   
2576 C CE   . LYS   B 48  ? 0.549892 0.534732 0.504501 0.237569    0.00812471  -0.0595861  60  LYS   A CE   
2577 N NZ   . LYS   B 48  ? 0.582573 0.585644 0.549453 0.267331    0.0105963   -0.0788461  60  LYS   A NZ   
2578 H H    . LYS   B 48  ? 0.40021  0.323421 0.339938 0.142601    -0.00911725 5.07e-06    60  LYS   A H    
2579 H HA   . LYS   B 48  ? 0.407998 0.354999 0.381702 0.141373    -0.0191292  0.024324    60  LYS   A HA   
2580 H HB2  . LYS   B 48  ? 0.449147 0.422512 0.438762 0.179083    -0.011941   0.00362684  60  LYS   A HB2  
2581 H HB3  . LYS   B 48  ? 0.470345 0.398004 0.458362 0.181385    -0.0281584  -0.00252654 60  LYS   A HB3  
2582 H HG2  . LYS   B 48  ? 0.497516 0.430821 0.451499 0.192915    -0.0114916  -0.0307454  60  LYS   A HG2  
2583 H HG3  . LYS   B 48  ? 0.473147 0.447795 0.424545 0.184753    0.00765992  -0.0189386  60  LYS   A HG3  
2584 H HD2  . LYS   B 48  ? 0.512219 0.512517 0.49895  0.219985    0.00399785  -0.0299555  60  LYS   A HD2  
2585 H HD3  . LYS   B 48  ? 0.539692 0.492186 0.529179 0.22941     -0.016261   -0.0423199  60  LYS   A HD3  
2586 H HE2  . LYS   B 48  ? 0.557892 0.51819  0.500989 0.236833    0.00036031  -0.0681579  60  LYS   A HE2  
2587 H HE3  . LYS   B 48  ? 0.533918 0.540297 0.47697  0.22935     0.0216544   -0.0524173  60  LYS   A HE3  
2588 H HZ1  . LYS   B 48  ? 0.596609 0.576432 0.575792 0.276105    -0.00279731 -0.0865724  60  LYS   A HZ1  
2589 H HZ2  . LYS   B 48  ? 0.570932 0.600056 0.550836 0.268239    0.0179368   -0.0707738  60  LYS   A HZ2  
2590 H HZ3  . LYS   B 48  ? 0.591428 0.604333 0.541627 0.276583    0.0180253   -0.0914522  60  LYS   A HZ3  
2591 N N    . LEU   B 49  ? 0.389439 0.394122 0.357971 0.133019    0.00830587  0.024505    61  LEU   A N    
2592 C CA   . LEU   B 49  ? 0.399667 0.437084 0.371273 0.128488    0.0237137   0.0252585   61  LEU   A CA   
2593 C C    . LEU   B 49  ? 0.458513 0.509875 0.431623 0.150085    0.0330833   0.0142633   61  LEU   A C    
2594 O O    . LEU   B 49  ? 0.476308 0.521658 0.457698 0.170354    0.0251174   0.00561269  61  LEU   A O    
2595 C CB   . LEU   B 49  ? 0.371981 0.438176 0.363573 0.120846    0.0197252   0.0350524   61  LEU   A CB   
2596 C CG   . LEU   B 49  ? 0.363803 0.423107 0.35119  0.102507    0.00871391  0.0452765   61  LEU   A CG   
2597 C CD1  . LEU   B 49  ? 0.355283 0.448976 0.358745 0.0936979   0.00340365  0.0532661   61  LEU   A CD1  
2598 C CD2  . LEU   B 49  ? 0.33894  0.383572 0.306786 0.0853345   0.0171764   0.0423145   61  LEU   A CD2  
2599 H H    . LEU   B 49  ? 0.393925 0.39733  0.371501 0.131265    -0.00094474 0.0317722   61  LEU   A H    
2600 H HA   . LEU   B 49  ? 0.391217 0.424343 0.351637 0.116827    0.0302684   0.026177    61  LEU   A HA   
2601 H HB2  . LEU   B 49  ? 0.384948 0.458258 0.389899 0.134829    0.0142323   0.0343252   61  LEU   A HB2  
2602 H HB3  . LEU   B 49  ? 0.368446 0.455326 0.364337 0.114743    0.0297921   0.0353551   61  LEU   A HB3  
2603 H HG   . LEU   B 49  ? 0.370416 0.411709 0.356939 0.108008    -0.00141512 0.0483841   61  LEU   A HG   
2604 H HD11 . LEU   B 49  ? 0.363975 0.46745  0.381958 0.106289    -0.00278404 0.0558197   61  LEU   A HD11 
2605 H HD12 . LEU   B 49  ? 0.357349 0.44742  0.353288 0.0828778   -0.00336627 0.0589149   61  LEU   A HD12 
2606 H HD13 . LEU   B 49  ? 0.348854 0.459629 0.356472 0.0864547   0.0124543   0.0500152   61  LEU   A HD13 
2607 H HD21 . LEU   B 49  ? 0.347581 0.370113 0.306136 0.0888198   0.0147236   0.0402352   61  LEU   A HD21 
2608 H HD22 . LEU   B 49  ? 0.339098 0.391612 0.306944 0.0841026   0.0276795   0.0384758   61  LEU   A HD22 
2609 H HD23 . LEU   B 49  ? 0.339996 0.390639 0.306036 0.0725624   0.014086    0.0463232   61  LEU   A HD23 
2610 N N    . SER   B 50  ? 0.530397 0.599798 0.495313 0.146323    0.0500226   0.0146239   62  SER   A N    
2611 C CA   . SER   B 50  ? 0.643997 0.73326  0.604877 0.166085    0.0618244   0.00575527  62  SER   A CA   
2612 C C    . SER   B 50  ? 0.66622  0.792573 0.655527 0.178449    0.0643993   0.00531967  62  SER   A C    
2613 O O    . SER   B 50  ? 0.663445 0.804806 0.655197 0.202436    0.0688184   -0.00721261 62  SER   A O    
2614 C CB   . SER   B 50  ? 0.680011 0.78111  0.625767 0.156585    0.0793318   0.0128641   62  SER   A CB   
2615 O OG   . SER   B 50  ? 0.678106 0.812958 0.64495  0.143464    0.0910676   0.0251763   62  SER   A OG   
2616 H H    . SER   B 50  ? 0.519356 0.589485 0.481206 0.13134     0.0545554   0.0209312   62  SER   A H    
2617 H HA   . SER   B 50  ? 0.643342 0.7143   0.59385  0.178705    0.0554884   -0.00486596 62  SER   A HA   
2618 H HB2  . SER   B 50  ? 0.686914 0.794714 0.620638 0.170417    0.08533     0.00628681  62  SER   A HB2  
2619 H HB3  . SER   B 50  ? 0.665631 0.74491  0.600024 0.145645    0.0761066   0.0158283   62  SER   A HB3  
2621 N N    . ASN   B 51  ? 0.711222 0.853985 0.722509 0.162936    0.0602499   0.0170935   63  ASN   A N    
2622 C CA   . ASN   B 51  ? 0.738515 0.913714 0.781882 0.173211    0.0553872   0.0186052   63  ASN   A CA   
2623 C C    . ASN   B 51  ? 0.731297 0.884996 0.7814   0.197391    0.0387771   0.00934011  63  ASN   A C    
2624 O O    . ASN   B 51  ? 0.77414  0.952645 0.848359 0.218666    0.0380054   0.00361349  63  ASN   A O    
2625 C CB   . ASN   B 51  ? 0.622816 0.813263 0.682955 0.150399    0.0479612   0.0316497   63  ASN   A CB   
2626 H H    . ASN   B 51  ? 0.686882 0.821879 0.693278 0.145523    0.0599454   0.0237236   63  ASN   A H    
2627 H HA   . ASN   B 51  ? 0.712322 0.917263 0.764471 0.180203    0.0680039   0.0167786   63  ASN   A HA   
2630 N N    . GLY   B 52  ? 0.748058 0.855374 0.780846 0.193951    0.0250548   0.00828167  64  GLY   A N    
2631 C CA   . GLY   B 52  ? 0.745997 0.822887 0.786396 0.213511    0.00793991  0.0006503   64  GLY   A CA   
2632 C C    . GLY   B 52  ? 0.760836 0.832158 0.820567 0.207591    -0.0106831  0.0177096   64  GLY   A C    
2633 O O    . GLY   B 52  ? 0.821756 0.869204 0.896027 0.223932    -0.0266983  0.0166432   64  GLY   A O    
2634 H H    . GLY   B 52  ? 0.726795 0.820751 0.744869 0.178071    0.0261583   0.0129631   64  GLY   A H    
2635 H HA2  . GLY   B 52  ? 0.755888 0.803111 0.779532 0.21121     0.00452418  -0.00452956 64  GLY   A HA2  
2636 H HA3  . GLY   B 52  ? 0.767673 0.857444 0.818082 0.233574    0.0113357   -0.0105979  64  GLY   A HA3  
2637 N N    . LYS   B 53  ? 0.692077 0.784946 0.751715 0.184482    -0.00953452 0.0333138   65  LYS   A N    
2638 C CA   . LYS   B 53  ? 0.655956 0.765237 0.736014 0.182096    -0.0247922  0.0494884   65  LYS   A CA   
2639 C C    . LYS   B 53  ? 0.620344 0.696267 0.685626 0.166751    -0.0401949  0.0649091   65  LYS   A C    
2640 O O    . LYS   B 53  ? 0.595723 0.673052 0.673903 0.169193    -0.0569204  0.0810574   65  LYS   A O    
2641 C CB   . LYS   B 53  ? 0.557689 0.719309 0.652328 0.170905    -0.016071   0.0533301   65  LYS   A CB   
2642 H H    . LYS   B 53  ? 0.67972  0.776892 0.726039 0.170311    -9.506e-05  0.0334158   65  LYS   A H    
2643 H HA   . LYS   B 53  ? 0.655516 0.765303 0.753749 0.201856    -0.0314738  0.0468502   65  LYS   A HA   
2646 N N    . LYS   B 54  ? 0.584611 0.631611 0.624142 0.152237    -0.0351134  0.061899    66  LYS   A N    
2647 C CA   . LYS   B 54  ? 0.546785 0.560616 0.576011 0.141709    -0.0476793  0.0748074   66  LYS   A CA   
2648 C C    . LYS   B 54  ? 0.549223 0.52431  0.568001 0.146628    -0.0453947  0.0611572   66  LYS   A C    
2649 O O    . LYS   B 54  ? 0.53534  0.514225 0.543646 0.150346    -0.0317848  0.0443474   66  LYS   A O    
2650 C CB   . LYS   B 54  ? 0.506061 0.532952 0.516481 0.114704    -0.0454958  0.0866075   66  LYS   A CB   
2651 H H    . LYS   B 54  ? 0.569966 0.620088 0.599361 0.148437    -0.023146   0.0527113   66  LYS   A H    
2652 H HA   . LYS   B 54  ? 0.567064 0.575762 0.61059  0.150354    -0.0604052  0.0846744   66  LYS   A HA   
2655 N N    . PHE   B 55  ? 0.587568 0.527126 0.610979 0.146265    -0.0599841  0.0698694   67  PHE   A N    
2656 C CA   . PHE   B 55  ? 0.584494 0.48566  0.604255 0.149643    -0.0633302  0.057256    67  PHE   A CA   
2657 C C    . PHE   B 55  ? 0.569366 0.448568 0.584608 0.128309    -0.0712733  0.0751627   67  PHE   A C    
2658 O O    . PHE   B 55  ? 0.556051 0.443215 0.574745 0.117313    -0.0783249  0.0995441   67  PHE   A O    
2659 C CB   . PHE   B 55  ? 0.699274 0.572258 0.743309 0.17357     -0.0783224  0.0495673   67  PHE   A CB   
2660 C CG   . PHE   B 55  ? 0.800195 0.671916 0.843454 0.197029    -0.0717181  0.0184641   67  PHE   A CG   
2661 C CD1  . PHE   B 55  ? 0.884864 0.726108 0.919376 0.199424    -0.0748892  -0.0010358  67  PHE   A CD1  
2662 C CD2  . PHE   B 55  ? 0.88656  0.792178 0.938291 0.216447    -0.0627411  0.00879712  67  PHE   A CD2  
2663 C CE1  . PHE   B 55  ? 0.98511  0.830268 1.01307  0.221668    -0.0688925  -0.0309565  67  PHE   A CE1  
2664 C CE2  . PHE   B 55  ? 1.0345   0.945509 1.08206  0.238535    -0.0543926  -0.0194399  67  PHE   A CE2  
2665 C CZ   . PHE   B 55  ? 1.06378  0.944519 1.09667  0.241684    -0.0575642  -0.039797   67  PHE   A CZ   
2666 H H    . PHE   B 55  ? 0.588245 0.528523 0.618776 0.142761    -0.0693426  0.0857819   67  PHE   A H    
2667 H HA   . PHE   B 55  ? 0.584952 0.490911 0.592348 0.150561    -0.0527377  0.0426983   67  PHE   A HA   
2668 H HB2  . PHE   B 55  ? 0.703634 0.587803 0.761602 0.180121    -0.083933   0.060142    67  PHE   A HB2  
2669 H HB3  . PHE   B 55  ? 0.712726 0.556881 0.761555 0.167696    -0.0884895  0.055498    67  PHE   A HB3  
2670 H HD1  . PHE   B 55  ? 0.889577 0.711074 0.921812 0.185439    -0.0808396  0.00588968  67  PHE   A HD1  
2671 H HD2  . PHE   B 55  ? 0.884179 0.812451 0.944244 0.214278    -0.0620003  0.021351    67  PHE   A HD2  
2672 H HE1  . PHE   B 55  ? 0.990916 0.817453 1.01147  0.223263    -0.0725473  -0.0453404  67  PHE   A HE1  
2673 H HE2  . PHE   B 55  ? 0.998027 0.936264 1.05242  0.251291    -0.0466183  -0.0250981  67  PHE   A HE2  
2674 H HZ   . PHE   B 55  ? 1.04802  0.935171 1.07495  0.257387    -0.0522412  -0.0598442  67  PHE   A HZ   
2675 N N    . ASP   B 56  ? 0.524051 0.379136 0.532549 0.122798    -0.0707065  0.0640177   68  ASP   A N    
2676 C CA   . ASP   B 56  ? 0.516974 0.356138 0.525482 0.101826    -0.0762926  0.0802663   68  ASP   A CA   
2677 C C    . ASP   B 56  ? 0.552566 0.359796 0.565994 0.103405    -0.0821917  0.0631284   68  ASP   A C    
2678 O O    . ASP   B 56  ? 0.537791 0.345627 0.541353 0.115469    -0.0764049  0.0382131   68  ASP   A O    
2679 C CB   . ASP   B 56  ? 0.498424 0.367329 0.4862   0.0809134   -0.0621652  0.088495    68  ASP   A CB   
2680 C CG   . ASP   B 56  ? 0.515709 0.378007 0.502346 0.0593692   -0.0630282  0.102138    68  ASP   A CG   
2681 O OD1  . ASP   B 56  ? 0.600626 0.444762 0.603016 0.0524223   -0.0757043  0.122616    68  ASP   A OD1  
2682 O OD2  . ASP   B 56  ? 0.471217 0.347436 0.444136 0.0494499   -0.0509498  0.0940203   68  ASP   A OD2  
2683 H H    . ASP   B 56  ? 0.531321 0.382772 0.535589 0.13227     -0.0666832  0.0461972   68  ASP   A H    
2684 H HA   . ASP   B 56  ? 0.543721 0.374168 0.564736 0.100268    -0.0865331  0.0973516   68  ASP   A HA   
2685 H HB2  . ASP   B 56  ? 0.495885 0.384298 0.481389 0.0785976   -0.0611298  0.0992822   68  ASP   A HB2  
2686 H HB3  . ASP   B 56  ? 0.483452 0.361259 0.460695 0.0839183   -0.0523252  0.0734404   68  ASP   A HB3  
2687 N N    . SER   B 57  ? 0.618332 0.401691 0.646704 0.0888603   -0.0937513  0.0787683   69  SER   A N    
2688 C CA   . SER   B 57  ? 0.699822 0.449449 0.741924 0.0880497   -0.10493    0.0644175   69  SER   A CA   
2689 C C    . SER   B 57  ? 0.721681 0.464322 0.775869 0.0612739   -0.109311   0.0879861   69  SER   A C    
2690 O O    . SER   B 57  ? 0.705268 0.447372 0.76996  0.0495516   -0.114032   0.118966    69  SER   A O    
2691 C CB   . SER   B 57  ? 0.762739 0.474757 0.829105 0.108293    -0.122916   0.0528462   69  SER   A CB   
2692 O OG   . SER   B 57  ? 0.794603 0.476996 0.870514 0.110639    -0.133737   0.0283129   69  SER   A OG   
2693 H H    . SER   B 57  ? 0.620996 0.410788 0.651951 0.0782406   -0.0951765  0.099884    69  SER   A H    
2694 H HA   . SER   B 57  ? 0.678058 0.435365 0.707074 0.0918778   -0.0981612  0.0456555   69  SER   A HA   
2695 H HB2  . SER   B 57  ? 0.755013 0.477565 0.815366 0.125464    -0.118692   0.0414259   69  SER   A HB2  
2696 H HB3  . SER   B 57  ? 0.778194 0.476989 0.861001 0.103152    -0.131889   0.0734368   69  SER   A HB3  
2698 N N    . SER   B 58  ? 0.697898 0.437026 0.752377 0.052334    -0.108668   0.0738375   70  SER   A N    
2699 C CA   . SER   B 58  ? 0.700535 0.430515 0.775724 0.0282728   -0.115104   0.0917471   70  SER   A CA   
2700 C C    . SER   B 58  ? 0.749812 0.435391 0.859238 0.0274536   -0.136659   0.102913    70  SER   A C    
2701 O O    . SER   B 58  ? 0.842634 0.524396 0.969959 0.00693893  -0.140617   0.135381    70  SER   A O    
2702 C CB   . SER   B 58  ? 0.657436 0.391957 0.732796 0.0218391   -0.113959   0.0713736   70  SER   A CB   
2703 O OG   . SER   B 58  ? 0.650499 0.362308 0.725774 0.0411994   -0.124747   0.0378813   70  SER   A OG   
2704 H H    . SER   B 58  ? 0.687981 0.432847 0.730515 0.0611538   -0.104184   0.0537074   70  SER   A H    
2705 H HA   . SER   B 58  ? 0.686785 0.439085 0.755406 0.0157553   -0.106247   0.112512    70  SER   A HA   
2706 H HB2  . SER   B 58  ? 0.671824 0.400172 0.766389 0.00556907  -0.119526   0.0833564   70  SER   A HB2  
2707 H HB3  . SER   B 58  ? 0.633269 0.395348 0.690298 0.0201074   -0.100304   0.0697484   70  SER   A HB3  
2709 N N    . HIS   B 59  ? 0.755412 0.408801 0.874151 0.0502372   -0.149893   0.0770588   71  HIS   A N    
2710 C CA   . HIS   B 59  ? 0.821231 0.425063 0.976875 0.052608    -0.172559   0.0822611   71  HIS   A CA   
2711 C C    . HIS   B 59  ? 0.873837 0.475729 1.04229  0.0422396   -0.175268   0.127239    71  HIS   A C    
2712 O O    . HIS   B 59  ? 0.897539 0.475248 1.09526  0.0220116   -0.186863   0.153861    71  HIS   A O    
2713 C CB   . HIS   B 59  ? 0.83598  0.41476  0.993411 0.0845208   -0.182433   0.0432416   71  HIS   A CB   
2714 C CG   . HIS   B 59  ? 0.897268 0.482084 1.03904  0.0906223   -0.181011   0.00398977  71  HIS   A CG   
2715 N ND1  . HIS   B 59  ? 0.973628 0.533282 1.13671  0.0773315   -0.196503   -0.0097856  71  HIS   A ND1  
2716 C CD2  . HIS   B 59  ? 0.894402 0.510785 1.00149  0.106447    -0.16656    -0.02128    71  HIS   A CD2  
2717 C CE1  . HIS   B 59  ? 0.945073 0.522188 1.08447  0.0868117   -0.192767   -0.0434385  71  HIS   A CE1  
2718 N NE2  . HIS   B 59  ? 0.895067 0.505824 0.99938  0.104664    -0.174031   -0.0492136  71  HIS   A NE2  
2719 H H    . HIS   B 59  ? 0.751332 0.413946 0.853644 0.0651193   -0.144518   0.0553509   71  HIS   A H    
2720 H HA   . HIS   B 59  ? 0.836163 0.426253 1.00812  0.0383129   -0.179873   0.0809262   71  HIS   A HA   
2721 H HB2  . HIS   B 59  ? 0.8389   0.435467 0.981511 0.09896     -0.174029   0.0429451   71  HIS   A HB2  
2722 H HB3  . HIS   B 59  ? 0.88924  0.431588 1.07386  0.087325    -0.198612   0.0444733   71  HIS   A HB3  
2724 H HD2  . HIS   B 59  ? 0.866481 0.505586 0.955461 0.116404    -0.154289   -0.019585   71  HIS   A HD2  
2725 H HE1  . HIS   B 59  ? 0.956143 0.523879 1.10354  0.0813831   -0.20265    -0.0595443  71  HIS   A HE1  
2727 N N    . ASP   B 60  ? 0.890705 0.522706 1.03658  0.054195    -0.164227   0.13704     72  ASP   A N    
2728 C CA   . ASP   B 60  ? 0.931315 0.572127 1.08084  0.0484649   -0.166489   0.178144    72  ASP   A CA   
2729 C C    . ASP   B 60  ? 0.934325 0.584376 1.09005  0.0158211   -0.164513   0.217409    72  ASP   A C    
2730 O O    . ASP   B 60  ? 1.06212  0.699102 1.23472  0.00798415  -0.174967   0.255397    72  ASP   A O    
2731 C CB   . ASP   B 60  ? 0.945424 0.635925 1.06181  0.0562017   -0.150046   0.180938    72  ASP   A CB   
2732 C CG   . ASP   B 60  ? 0.972001 0.668587 1.081    0.0863948   -0.147448   0.149802    72  ASP   A CG   
2733 O OD1  . ASP   B 60  ? 0.939729 0.600419 1.0738   0.107222    -0.162811   0.137928    72  ASP   A OD1  
2734 O OD2  . ASP   B 60  ? 0.968552 0.706538 1.04939  0.08868     -0.12997    0.138521    72  ASP   A OD2  
2735 H H    . ASP   B 60  ? 0.864789 0.514541 0.991858 0.0666372   -0.155279   0.11675     72  ASP   A H    
2736 H HA   . ASP   B 60  ? 0.964085 0.574925 1.1349   0.0604819   -0.180681   0.181141    72  ASP   A HA   
2737 H HB2  . ASP   B 60  ? 0.913742 0.630939 1.01092  0.0444527   -0.13665    0.177745    72  ASP   A HB2  
2738 H HB3  . ASP   B 60  ? 0.95393  0.651266 1.07262  0.0515679   -0.153694   0.208854    72  ASP   A HB3  
2739 N N    . ARG   B 61  ? 0.927433 0.604841 1.06923  -0.00256595 -0.1501     0.210941    73  ARG   A N    
2740 C CA   . ARG   B 61  ? 0.986496 0.685221 1.13189  -0.032844   -0.143612   0.247272    73  ARG   A CA   
2741 C C    . ARG   B 61  ? 1.04777  0.708804 1.23473  -0.0514877  -0.157912   0.254636    73  ARG   A C    
2742 O O    . ARG   B 61  ? 1.09289  0.769759 1.29121  -0.0789083  -0.153417   0.288017    73  ARG   A O    
2743 C CB   . ARG   B 61  ? 0.88802  0.643219 0.996704 -0.0391946  -0.119161   0.237273    73  ARG   A CB   
2744 H H    . ARG   B 61  ? 0.909447 0.594741 1.03965  0.00432554  -0.143712   0.184267    73  ARG   A H    
2745 H HA   . ARG   B 61  ? 0.987193 0.689986 1.13181  -0.0351073  -0.146483   0.275421    73  ARG   A HA   
2748 N N    . ASN   B 62  ? 0.988658 0.60107  1.20063  -0.0375385  -0.175855   0.224254    74  ASN   A N    
2749 C CA   . ASN   B 62  ? 0.966444 0.538493 1.22189  -0.0542349  -0.193171   0.22354     74  ASN   A CA   
2750 C C    . ASN   B 62  ? 0.938069 0.523822 1.18947  -0.0572817  -0.18879    0.185069    74  ASN   A C    
2751 O O    . ASN   B 62  ? 0.929708 0.481072 1.19759  -0.0466008  -0.20477    0.149566    74  ASN   A O    
2752 C CB   . ASN   B 62  ? 0.939076 0.515799 1.21948  -0.0877286  -0.193447   0.275428    74  ASN   A CB   
2753 H H    . ASN   B 62  ? 0.984879 0.590078 1.1869   -0.0165562  -0.177677   0.201866    74  ASN   A H    
2754 H HA   . ASN   B 62  ? 0.995106 0.526586 1.26925  -0.0410182  -0.209275   0.21346     74  ASN   A HA   
2757 N N    . GLU   B 63  ? 0.876218 0.5162   1.10191  -0.0687139  -0.166802   0.190234    75  GLU   A N    
2758 C CA   . GLU   B 63  ? 0.820417 0.483193 1.05423  -0.0843867  -0.161659   0.176068    75  GLU   A CA   
2759 C C    . GLU   B 63  ? 0.7625   0.459217 0.956864 -0.0658119  -0.146193   0.142768    75  GLU   A C    
2760 O O    . GLU   B 63  ? 0.692237 0.397031 0.854455 -0.0448585  -0.137709   0.13422     75  GLU   A O    
2761 C CB   . GLU   B 63  ? 0.827841 0.53036  1.06769  -0.113704   -0.146513   0.218762    75  GLU   A CB   
2762 C CG   . GLU   B 63  ? 0.798025 0.553378 0.992393 -0.107317   -0.12129    0.225336    75  GLU   A CG   
2763 C CD   . GLU   B 63  ? 0.847879 0.635336 1.03333  -0.124662   -0.108783   0.270933    75  GLU   A CD   
2764 O OE1  . GLU   B 63  ? 0.756917 0.592645 0.90759  -0.122532   -0.0880554  0.270811    75  GLU   A OE1  
2765 O OE2  . GLU   B 63  ? 0.988669 0.752249 1.20136  -0.139683   -0.120582   0.306381    75  GLU   A OE2  
2766 H H    . GLU   B 63  ? 0.855267 0.520506 1.05769  -0.0654003  -0.154709   0.202239    75  GLU   A H    
2767 H HA   . GLU   B 63  ? 0.851442 0.484749 1.11225  -0.0878738  -0.177501   0.163296    75  GLU   A HA   
2768 H HB2  . GLU   B 63  ? 0.825684 0.539586 1.08316  -0.127902   -0.146068   0.215131    75  GLU   A HB2  
2769 H HB3  . GLU   B 63  ? 0.85934  0.542686 1.11726  -0.123174   -0.154233   0.246014    75  GLU   A HB3  
2770 H HG2  . GLU   B 63  ? 0.793812 0.540542 0.967919 -0.0873902  -0.121991   0.210223    75  GLU   A HG2  
2771 H HG3  . GLU   B 63  ? 0.779206 0.560889 0.96637  -0.109162   -0.111372   0.210375    75  GLU   A HG3  
2772 N N    . PRO   B 64  ? 0.739936 0.460951 0.937712 -0.0739993  -0.141556   0.1262      76  PRO   A N    
2773 C CA   . PRO   B 64  ? 0.694889 0.443769 0.858798 -0.0563805  -0.128915   0.0979077   76  PRO   A CA   
2774 C C    . PRO   B 64  ? 0.638065 0.433374 0.772822 -0.0585502  -0.103656   0.113333    76  PRO   A C    
2775 O O    . PRO   B 64  ? 0.66688  0.484654 0.808075 -0.0776066  -0.0940173  0.144291    76  PRO   A O    
2776 C CB   . PRO   B 64  ? 0.716281 0.473645 0.900592 -0.0650577  -0.13655    0.0788065   76  PRO   A CB   
2777 C CG   . PRO   B 64  ? 0.767112 0.501517 1.00005  -0.0903498  -0.153155   0.0967528   76  PRO   A CG   
2778 C CD   . PRO   B 64  ? 0.792028 0.516091 1.0301   -0.100594   -0.149214   0.135436    76  PRO   A CD   
2779 H HA   . PRO   B 64  ? 0.696125 0.427508 0.84603  -0.0374264  -0.133755   0.0797698   76  PRO   A HA   
2780 H HB2  . PRO   B 64  ? 0.690101 0.481326 0.866941 -0.0699664  -0.123192   0.0822307   76  PRO   A HB2  
2781 H HB3  . PRO   B 64  ? 0.71551  0.45975  0.891174 -0.0497869  -0.144872   0.0526093   76  PRO   A HB3  
2782 H HG2  . PRO   B 64  ? 0.758725 0.517788 1.00758  -0.105714   -0.149231   0.102555    76  PRO   A HG2  
2783 H HG3  . PRO   B 64  ? 0.788445 0.491286 1.03465  -0.084655   -0.170811   0.0779133   76  PRO   A HG3  
2784 H HD2  . PRO   B 64  ? 0.772322 0.527197 1.01185  -0.115919   -0.136127   0.158326    76  PRO   A HD2  
2785 H HD3  . PRO   B 64  ? 0.81496  0.505376 1.08021  -0.107541   -0.164922   0.141782    76  PRO   A HD3  
2786 N N    . PHE   B 65  ? 0.568294 0.376872 0.67082  -0.0383388  -0.0937939  0.0905137   77  PHE   A N    
2787 C CA   . PHE   B 65  ? 0.546296 0.394918 0.622484 -0.0376984  -0.0717027  0.0951846   77  PHE   A CA   
2788 C C    . PHE   B 65  ? 0.482528 0.359068 0.563181 -0.0417656  -0.0640978  0.0826093   77  PHE   A C    
2789 O O    . PHE   B 65  ? 0.425472 0.29309  0.50799  -0.0313204  -0.0727691  0.059369    77  PHE   A O    
2790 C CB   . PHE   B 65  ? 0.529588 0.377247 0.573448 -0.0158989  -0.0646972  0.0814992   77  PHE   A CB   
2791 C CG   . PHE   B 65  ? 0.523632 0.408471 0.54451  -0.0173108  -0.043887   0.0847999   77  PHE   A CG   
2792 C CD1  . PHE   B 65  ? 0.57034  0.478422 0.586724 -0.0309524  -0.0345172  0.10813     77  PHE   A CD1  
2793 C CD2  . PHE   B 65  ? 0.509347 0.405145 0.512388 -0.00441477 -0.0345797  0.064457    77  PHE   A CD2  
2794 C CE1  . PHE   B 65  ? 0.556345 0.497662 0.551678 -0.0314573  -0.0169699  0.105549    77  PHE   A CE1  
2795 C CE2  . PHE   B 65  ? 0.486764 0.410867 0.473204 -0.00571348 -0.0172873  0.0647831   77  PHE   A CE2  
2796 C CZ   . PHE   B 65  ? 0.526727 0.473575 0.509591 -0.0190584  -0.00874898 0.0825532   77  PHE   A CZ   
2797 H H    . PHE   B 65  ? 0.584235 0.375746 0.681725 -0.0244881  -0.101405   0.0708969   77  PHE   A H    
2798 H HA   . PHE   B 65  ? 0.540677 0.402138 0.61923  -0.0498111  -0.0658837  0.117       77  PHE   A HA   
2799 H HB2  . PHE   B 65  ? 0.546897 0.379554 0.590886 -0.0123738  -0.070121   0.0894625   77  PHE   A HB2  
2800 H HB3  . PHE   B 65  ? 0.532114 0.369877 0.571475 -0.00388575 -0.0691822  0.0618605   77  PHE   A HB3  
2801 H HD1  . PHE   B 65  ? 0.577554 0.478968 0.605345 -0.0400406  -0.0406658  0.12561     77  PHE   A HD1  
2802 H HD2  . PHE   B 65  ? 0.50822  0.391699 0.51101  0.00517336  -0.0406388  0.0502989   77  PHE   A HD2  
2803 H HE1  . PHE   B 65  ? 0.556566 0.516305 0.546609 -0.0403678  -0.0111933  0.119549    77  PHE   A HE1  
2804 H HE2  . PHE   B 65  ? 0.484979 0.412841 0.462587 0.00255094  -0.0119291  0.0525686   77  PHE   A HE2  
2805 H HZ   . PHE   B 65  ? 0.509105 0.474758 0.480415 -0.0193499  0.00205424  0.0793313   77  PHE   A HZ   
2806 N N    . VAL   B 66  ? 0.47451  0.388308 0.556186 -0.055806   -0.0478711  0.0985513   78  VAL   A N    
2807 C CA   . VAL   B 66  ? 0.489277 0.434439 0.585663 -0.0624814  -0.0405699  0.0920175   78  VAL   A CA   
2808 C C    . VAL   B 66  ? 0.477192 0.457816 0.550189 -0.0569793  -0.0184946  0.0889376   78  VAL   A C    
2809 O O    . VAL   B 66  ? 0.556984 0.552913 0.613821 -0.0622118  -0.0069442  0.10332     78  VAL   A O    
2810 C CB   . VAL   B 66  ? 0.532771 0.49306  0.666034 -0.0882151  -0.0429493  0.114144    78  VAL   A CB   
2811 C CG1  . VAL   B 66  ? 0.50206  0.503661 0.654226 -0.0938314  -0.0334884  0.107049    78  VAL   A CG1  
2812 C CG2  . VAL   B 66  ? 0.55622  0.475402 0.71874  -0.0961264  -0.0671616  0.11672     78  VAL   A CG2  
2813 H H    . VAL   B 66  ? 0.482201 0.404504 0.555128 -0.060423   -0.041107   0.113319    78  VAL   A H    
2814 H HA   . VAL   B 66  ? 0.486807 0.421526 0.586038 -0.0534099  -0.0488387  0.0746721   78  VAL   A HA   
2815 H HB   . VAL   B 66  ? 0.528419 0.501306 0.65533  -0.0967419  -0.0340406  0.133303    78  VAL   A HB   
2816 H HG11 . VAL   B 66  ? 0.497762 0.492615 0.647374 -0.0813152  -0.0393227  0.0873443   78  VAL   A HG11 
2817 H HG12 . VAL   B 66  ? 0.495566 0.524918 0.635119 -0.0935386  -0.0172293  0.110937    78  VAL   A HG12 
2818 H HG13 . VAL   B 66  ? 0.519842 0.528362 0.700676 -0.109923   -0.0381868  0.118301    78  VAL   A HG13 
2819 H HG21 . VAL   B 66  ? 0.569226 0.500153 0.759063 -0.113851   -0.0685097  0.130007    78  VAL   A HG21 
2820 H HG22 . VAL   B 66  ? 0.57041  0.467536 0.725326 -0.0942769  -0.0714284  0.126109    78  VAL   A HG22 
2821 H HG23 . VAL   B 66  ? 0.556607 0.460667 0.719175 -0.0850854  -0.0773885  0.0953624   78  VAL   A HG23 
2822 N N    . PHE   B 67  ? 0.449048 0.441895 0.520712 -0.0454421  -0.0143225  0.0690327   79  PHE   A N    
2823 C CA   . PHE   B 67  ? 0.403047 0.422817 0.457328 -0.0378316  0.00453489  0.0614022   79  PHE   A CA   
2824 C C    . PHE   B 67  ? 0.376499 0.414197 0.447107 -0.0303631  0.00606025  0.0463034   79  PHE   A C    
2825 O O    . PHE   B 67  ? 0.360138 0.386829 0.447985 -0.0277414  -0.00937762 0.0391081   79  PHE   A O    
2826 C CB   . PHE   B 67  ? 0.421226 0.420915 0.443457 -0.0218304  0.00719109  0.0517256   79  PHE   A CB   
2827 C CG   . PHE   B 67  ? 0.417275 0.392537 0.431538 -0.0034977  -0.00216865 0.0344535   79  PHE   A CG   
2828 C CD1  . PHE   B 67  ? 0.445648 0.392555 0.462672 0.00104488  -0.019648   0.0308975   79  PHE   A CD1  
2829 C CD2  . PHE   B 67  ? 0.418157 0.399019 0.421212 0.00985394  0.0065449   0.0219712   79  PHE   A CD2  
2830 C CE1  . PHE   B 67  ? 0.454312 0.385848 0.458456 0.0186681   -0.0266654  0.0152147   79  PHE   A CE1  
2831 C CE2  . PHE   B 67  ? 0.425165 0.387466 0.417994 0.026091    -0.00108689 0.0111351   79  PHE   A CE2  
2832 C CZ   . PHE   B 67  ? 0.433429 0.374251 0.424366 0.030588    -0.017001   0.00776827  79  PHE   A CZ   
2833 H H    . PHE   B 67  ? 0.446992 0.430393 0.529628 -0.041773   -0.0244543  0.059608    79  PHE   A H    
2834 H HA   . PHE   B 67  ? 0.412946 0.455033 0.467855 -0.0482798  0.0146215   0.0727776   79  PHE   A HA   
2835 H HB2  . PHE   B 67  ? 0.408111 0.425212 0.421158 -0.0204203  0.0195119   0.0486217   79  PHE   A HB2  
2836 H HB3  . PHE   B 67  ? 0.422606 0.4105   0.437868 -0.0252345  0.00350365  0.0610254   79  PHE   A HB3  
2837 H HD1  . PHE   B 67  ? 0.454868 0.393395 0.482269 -0.00750621 -0.0268422  0.0390089   79  PHE   A HD1  
2838 H HD2  . PHE   B 67  ? 0.411199 0.409006 0.413773 0.00801209  0.0176992   0.021281    79  PHE   A HD2  
2839 H HE1  . PHE   B 67  ? 0.461334 0.376033 0.465905 0.0226425   -0.0383375  0.0100615   79  PHE   A HE1  
2840 H HE2  . PHE   B 67  ? 0.417422 0.382374 0.404307 0.0342894   0.00466242  0.00603981  79  PHE   A HE2  
2841 H HZ   . PHE   B 67  ? 0.439372 0.371621 0.420322 0.0419758   -0.021487   0.00038048  79  PHE   A HZ   
2842 N N    . SER   B 68  ? 0.356312 0.423068 0.422571 -0.026179   0.0236155   0.0403424   80  SER   A N    
2843 C CA   . SER   B 68  ? 0.335132 0.418403 0.416731 -0.0144486  0.0260134   0.0256931   80  SER   A CA   
2844 C C    . SER   B 68  ? 0.316434 0.373609 0.375273 0.00626928  0.0241566   0.0118505   80  SER   A C    
2845 O O    . SER   B 68  ? 0.301777 0.354135 0.339308 0.0113195   0.0353616   0.0080797   80  SER   A O    
2846 C CB   . SER   B 68  ? 0.334687 0.461012 0.427858 -0.0176771  0.045152    0.0237783   80  SER   A CB   
2847 O OG   . SER   B 68  ? 0.36357  0.522589 0.490034 -0.0334778  0.045506    0.0345219   80  SER   A OG   
2848 H H    . SER   B 68  ? 0.356684 0.433211 0.410774 -0.0298415  0.0335289   0.0447639   80  SER   A H    
2849 H HA   . SER   B 68  ? 0.338828 0.422436 0.439855 -0.017221   0.0150939   0.0260556   80  SER   A HA   
2850 H HB2  . SER   B 68  ? 0.342043 0.472753 0.418321 -0.0214352  0.0546096   0.0269194   80  SER   A HB2  
2851 H HB3  . SER   B 68  ? 0.334787 0.464401 0.430458 -0.0047259  0.0482203   0.0115471   80  SER   A HB3  
2853 N N    . LEU   B 69  ? 0.308267 0.352089 0.373334 0.0172568   0.00966236  0.00490005  81  LEU   A N    
2854 C CA   . LEU   B 69  ? 0.297038 0.317068 0.340097 0.0358686   0.00675947  -0.00298548 81  LEU   A CA   
2855 C C    . LEU   B 69  ? 0.299461 0.331183 0.344604 0.046617    0.0208475   -0.00976734 81  LEU   A C    
2856 O O    . LEU   B 69  ? 0.255128 0.314569 0.324927 0.0479682   0.0266285   -0.0140577  81  LEU   A O    
2857 C CB   . LEU   B 69  ? 0.302556 0.312013 0.349012 0.045122    -0.012791   -0.00791559 81  LEU   A CB   
2858 C CG   . LEU   B 69  ? 0.316809 0.305722 0.337675 0.0644121   -0.0165984  -0.0119015  81  LEU   A CG   
2859 C CD1  . LEU   B 69  ? 0.312534 0.276461 0.30212  0.0678296   -0.0118507  -0.00945738 81  LEU   A CD1  
2860 C CD2  . LEU   B 69  ? 0.327752 0.316334 0.352381 0.071711    -0.03735    -0.0177717  81  LEU   A CD2  
2861 H H    . LEU   B 69  ? 0.311834 0.363266 0.395336 0.0125054   0.00112091  0.00587219  81  LEU   A H    
2862 H HA   . LEU   B 69  ? 0.300586 0.3039   0.324738 0.0351188   0.0081916   -0.00042926 81  LEU   A HA   
2863 H HB2  . LEU   B 69  ? 0.312111 0.312101 0.358737 0.037909    -0.021724   -0.00622749 81  LEU   A HB2  
2864 H HB3  . LEU   B 69  ? 0.305426 0.333803 0.373243 0.0450372   -0.0156983  -0.00997205 81  LEU   A HB3  
2865 H HG   . LEU   B 69  ? 0.31137  0.307302 0.336171 0.0715104   -0.00939595 -0.0125135  81  LEU   A HG   
2866 H HD11 . LEU   B 69  ? 0.307482 0.273186 0.295189 0.0626675   -0.00030182 -0.00673087 81  LEU   A HD11 
2867 H HD12 . LEU   B 69  ? 0.320215 0.276744 0.297018 0.079322    -0.0130013  -0.0100051  81  LEU   A HD12 
2868 H HD13 . LEU   B 69  ? 0.31898  0.274367 0.304827 0.0637895   -0.0195188  -0.0100635  81  LEU   A HD13 
2869 H HD21 . LEU   B 69  ? 0.328273 0.335005 0.373436 0.0722686   -0.0403428  -0.0191671  81  LEU   A HD21 
2870 H HD22 . LEU   B 69  ? 0.334105 0.316309 0.360701 0.0639831   -0.0456557  -0.0195921  81  LEU   A HD22 
2871 H HD23 . LEU   B 69  ? 0.336017 0.313984 0.341356 0.0837354   -0.0399384  -0.0185835  81  LEU   A HD23 
2872 N N    . GLY   B 70  ? 0.336289 0.346109 0.357415 0.0539469   0.026684    -0.0112128  82  GLY   A N    
2873 C CA   . GLY   B 70  ? 0.355144 0.362706 0.377395 0.0657646   0.0365679   -0.018213   82  GLY   A CA   
2874 C C    . GLY   B 70  ? 0.367626 0.399142 0.401177 0.0602011   0.0526451   -0.0265735  82  GLY   A C    
2875 O O    . GLY   B 70  ? 0.371067 0.40558  0.418147 0.0723351   0.0580971   -0.0358385  82  GLY   A O    
2876 H H    . GLY   B 70  ? 0.329652 0.325161 0.335654 0.0512715   0.0241234   -0.00770145 82  GLY   A H    
2877 H HA2  . GLY   B 70  ? 0.356153 0.3447   0.361772 0.0688983   0.037817    -0.0167836  82  GLY   A HA2  
2878 H HA3  . GLY   B 70  ? 0.357862 0.367006 0.390719 0.0755956   0.0308414   -0.0193842  82  GLY   A HA3  
2879 N N    . LYS   B 71  ? 0.371331 0.418482 0.397934 0.0440488   0.0592907   -0.0231848  83  LYS   A N    
2880 C CA   . LYS   B 71  ? 0.369342 0.444128 0.397865 0.0380556   0.0753285   -0.0318322  83  LYS   A CA   
2881 C C    . LYS   B 71  ? 0.419606 0.48241  0.420957 0.031062    0.079747    -0.0324261  83  LYS   A C    
2882 O O    . LYS   B 71  ? 0.431672 0.518344 0.42498  0.0223333   0.0900158   -0.0367776  83  LYS   A O    
2883 C CB   . LYS   B 71  ? 0.360034 0.4726   0.406458 0.0252497   0.078238    -0.0238147  83  LYS   A CB   
2884 H H    . LYS   B 71  ? 0.366285 0.406987 0.38569  0.0370859   0.0529324   -0.0148886  83  LYS   A H    
2885 H HA   . LYS   B 71  ? 0.38138  0.458986 0.420027 0.0482151   0.0804325   -0.042948   83  LYS   A HA   
2888 N N    . GLY   B 72  ? 0.454544 0.484211 0.441252 0.0349554   0.0714128   -0.0275911  84  GLY   A N    
2889 C CA   . GLY   B 72  ? 0.466238 0.485516 0.431817 0.028537    0.0726427   -0.0262922  84  GLY   A CA   
2890 C C    . GLY   B 72  ? 0.473684 0.512448 0.428799 0.0137015   0.0724907   -0.0155226  84  GLY   A C    
2891 O O    . GLY   B 72  ? 0.486453 0.536263 0.42747  0.00704413  0.0777114   -0.0193832  84  GLY   A O    
2892 H H    . GLY   B 72  ? 0.443489 0.459202 0.434194 0.0423071   0.064682    -0.0249957  84  GLY   A H    
2893 H HA2  . GLY   B 72  ? 0.462024 0.460897 0.421848 0.0325563   0.0663193   -0.0211545  84  GLY   A HA2  
2894 H HA3  . GLY   B 72  ? 0.471122 0.491128 0.435809 0.0304675   0.0793817   -0.0375217  84  GLY   A HA3  
2895 N N    . GLN   B 73  ? 0.457408 0.499816 0.421006 0.00838988  0.0649137   -0.00149932 85  GLN   A N    
2896 C CA   . GLN   B 73  ? 0.414739 0.466364 0.371468 -0.00514745 0.0610946   0.015401    85  GLN   A CA   
2897 C C    . GLN   B 73  ? 0.375467 0.399121 0.319597 -0.00218658 0.0503173   0.0224367   85  GLN   A C    
2898 O O    . GLN   B 73  ? 0.357238 0.385179 0.293115 -0.0105015  0.0466555   0.0356417   85  GLN   A O    
2899 C CB   . GLN   B 73  ? 0.407765 0.470457 0.385339 -0.0130226  0.0564989   0.027234    85  GLN   A CB   
2900 C CG   . GLN   B 73  ? 0.420219 0.521677 0.412762 -0.0169994  0.0699199   0.0218193   85  GLN   A CG   
2901 C CD   . GLN   B 73  ? 0.420585 0.53854  0.438542 -0.028898   0.0658875   0.0367033   85  GLN   A CD   
2902 O OE1  . GLN   B 73  ? 0.479275 0.575783 0.503243 -0.0356803  0.0517702   0.0509579   85  GLN   A OE1  
2903 N NE2  . GLN   B 73  ? 0.387524 0.544053 0.424142 -0.0314132  0.0779675   0.0322854   85  GLN   A NE2  
2904 H H    . GLN   B 73  ? 0.444818 0.482908 0.42026  0.0132039   0.0609631   -0.00195763 85  GLN   A H    
2905 H HA   . GLN   B 73  ? 0.420343 0.491777 0.368737 -0.0109275  0.0688124   0.0141052   85  GLN   A HA   
2906 H HB2  . GLN   B 73  ? 0.408698 0.454176 0.394651 -0.00671661 0.0482603   0.0250456   85  GLN   A HB2  
2907 H HB3  . GLN   B 73  ? 0.418793 0.481643 0.393731 -0.0219576  0.0522341   0.0410949   85  GLN   A HB3  
2908 H HG2  . GLN   B 73  ? 0.423327 0.543967 0.404342 -0.0219401  0.0788197   0.0214185   85  GLN   A HG2  
2909 H HG3  . GLN   B 73  ? 0.412742 0.511921 0.41141  -0.00659825 0.0727099   0.00830892  85  GLN   A HG3  
2910 H HE21 . GLN   B 73  ? 0.402901 0.577463 0.453524 -0.0420691  0.0788852   0.0436476   85  GLN   A HE21 
2911 H HE22 . GLN   B 73  ? 0.395205 0.560144 0.432074 -0.0223089  0.0853045   0.0180518   85  GLN   A HE22 
2912 N N    . VAL   B 74  ? 0.336539 0.335557 0.279786 0.0107336   0.0461895   0.014302    86  VAL   A N    
2913 C CA   . VAL   B 74  ? 0.329718 0.307224 0.262616 0.0167684   0.038927    0.0175475   86  VAL   A CA   
2914 C C    . VAL   B 74  ? 0.304573 0.274015 0.230593 0.024595    0.0455455   0.00761628  86  VAL   A C    
2915 O O    . VAL   B 74  ? 0.330415 0.302641 0.261481 0.0274273   0.0528906   -0.0018222  86  VAL   A O    
2916 C CB   . VAL   B 74  ? 0.385888 0.343796 0.324683 0.0244875   0.0266118   0.019597    86  VAL   A CB   
2917 C CG1  . VAL   B 74  ? 0.410545 0.370416 0.361387 0.0141894   0.0177407   0.0307907   86  VAL   A CG1  
2918 C CG2  . VAL   B 74  ? 0.388434 0.342353 0.333689 0.0343416   0.0261078   0.0106379   86  VAL   A CG2  
2919 H H    . VAL   B 74  ? 0.343207 0.341323 0.293085 0.0164911   0.0484547   0.00716299  86  VAL   A H    
2920 H HA   . VAL   B 74  ? 0.33824  0.320408 0.266036 0.0109874   0.0373108   0.0246013   86  VAL   A HA   
2921 H HB   . VAL   B 74  ? 0.378741 0.325379 0.309843 0.0302269   0.0235818   0.0198256   86  VAL   A HB   
2922 H HG11 . VAL   B 74  ? 0.404526 0.379164 0.364547 0.00772025  0.0215997   0.0317838   86  VAL   A HG11 
2923 H HG12 . VAL   B 74  ? 0.40913  0.370888 0.355484 0.00914847  0.0171991   0.0388127   86  VAL   A HG12 
2924 H HG13 . VAL   B 74  ? 0.410137 0.355431 0.36531  0.0190651   0.00839067  0.0292261   86  VAL   A HG13 
2925 H HG21 . VAL   B 74  ? 0.389971 0.334892 0.338015 0.0380501   0.0168318   0.0106852   86  VAL   A HG21 
2926 H HG22 . VAL   B 74  ? 0.383994 0.332162 0.32195  0.0411668   0.0302912   0.00681813  86  VAL   A HG22 
2927 H HG23 . VAL   B 74  ? 0.384251 0.351672 0.339098 0.0302898   0.0303328   0.00901262  86  VAL   A HG23 
2928 N N    . ILE   B 75  ? 0.294339 0.253302 0.212301 0.0285045   0.042736    0.0105319   87  ILE   A N    
2929 C CA   . ILE   B 75  ? 0.292821 0.243002 0.208221 0.0345469   0.0486879   0.00517808  87  ILE   A CA   
2930 C C    . ILE   B 75  ? 0.30046  0.237513 0.218933 0.0458771   0.0481288   0.00335138  87  ILE   A C    
2931 O O    . ILE   B 75  ? 0.306089 0.239099 0.225231 0.0514427   0.0398476   0.0053775   87  ILE   A O    
2932 C CB   . ILE   B 75  ? 0.287907 0.235361 0.197464 0.0371866   0.0461067   0.0106447   87  ILE   A CB   
2933 C CG1  . ILE   B 75  ? 0.285796 0.223197 0.19258  0.0470442   0.0369258   0.0150075   87  ILE   A CG1  
2934 C CG2  . ILE   B 75  ? 0.297254 0.261066 0.205386 0.0267827   0.0452377   0.0130245   87  ILE   A CG2  
2935 C CD1  . ILE   B 75  ? 0.284625 0.222573 0.187756 0.0540475   0.0364166   0.0177426   87  ILE   A CD1  
2936 H H    . ILE   B 75  ? 0.297568 0.255578 0.213536 0.0272904   0.0373183   0.0167226   87  ILE   A H    
2937 H HA   . ILE   B 75  ? 0.294508 0.25143  0.211466 0.0293618   0.0545487   -0.00046402 87  ILE   A HA   
2938 H HB   . ILE   B 75  ? 0.291419 0.234657 0.20105  0.0398687   0.0508811   0.00915889  87  ILE   A HB   
2939 H HG12 . ILE   B 75  ? 0.287168 0.225994 0.196778 0.0432646   0.0312644   0.0178261   87  ILE   A HG12 
2940 H HG13 . ILE   B 75  ? 0.288579 0.218766 0.194455 0.0532913   0.036268    0.0127213   87  ILE   A HG13 
2941 H HG21 . ILE   B 75  ? 0.294044 0.259077 0.20208  0.0286003   0.0450813   0.014808    87  ILE   A HG21 
2942 H HG22 . ILE   B 75  ? 0.295523 0.262034 0.203176 0.0250071   0.0395974   0.0186964   87  ILE   A HG22 
2943 H HG23 . ILE   B 75  ? 0.295492 0.267284 0.204048 0.0202946   0.0499799   0.00722199  87  ILE   A HG23 
2944 H HD11 . ILE   B 75  ? 0.285872 0.225208 0.187839 0.0553318   0.0431404   0.0172028   87  ILE   A HD11 
2945 H HD12 . ILE   B 75  ? 0.290876 0.221651 0.191532 0.0625238   0.030989    0.0169741   87  ILE   A HD12 
2946 H HD13 . ILE   B 75  ? 0.284605 0.230288 0.190231 0.0491405   0.0345945   0.0207691   87  ILE   A HD13 
2947 N N    . LYS   B 76  ? 0.28874  0.218678 0.210223 0.0488392   0.0554242   3.783e-05   88  LYS   A N    
2948 C CA   . LYS   B 76  ? 0.300487 0.219173 0.225969 0.059785    0.0551334   0.00116572  88  LYS   A CA   
2949 C C    . LYS   B 76  ? 0.293196 0.205902 0.206448 0.0703397   0.047589    0.00888964  88  LYS   A C    
2950 O O    . LYS   B 76  ? 0.304034 0.214266 0.217397 0.0796071   0.0413977   0.00977084  88  LYS   A O    
2951 C CB   . LYS   B 76  ? 0.30168  0.207477 0.233973 0.0612201   0.0630285   0.00118778  88  LYS   A CB   
2952 H H    . LYS   B 76  ? 0.294618 0.226463 0.216803 0.0434872   0.0599275   -0.00233864 88  LYS   A H    
2953 H HA   . LYS   B 76  ? 0.294186 0.218337 0.227219 0.0604393   0.0535881   -0.00289387 88  LYS   A HA   
2956 N N    . ALA   B 77  ? 0.278681 0.19242  0.181726 0.0702542   0.0473245   0.0126144   89  ALA   A N    
2957 C CA   . ALA   B 77  ? 0.302051 0.213198 0.191363 0.0825435   0.0415402   0.0157826   89  ALA   A CA   
2958 C C    . ALA   B 77  ? 0.315227 0.226107 0.204803 0.0858737   0.028309    0.00931242  89  ALA   A C    
2959 O O    . ALA   B 77  ? 0.305893 0.214798 0.184807 0.097117    0.020447    0.0069781   89  ALA   A O    
2960 C CB   . ALA   B 77  ? 0.312251 0.228688 0.194484 0.0834677   0.0452051   0.0185218   89  ALA   A CB   
2961 H H    . ALA   B 77  ? 0.28116  0.199175 0.185712 0.0635724   0.0505648   0.0122363   89  ALA   A H    
2962 H HA   . ALA   B 77  ? 0.311998 0.21949  0.197723 0.0886889   0.0434532   0.0201631   89  ALA   A HA   
2963 H HB1  . ALA   B 77  ? 0.310935 0.22883  0.195531 0.0801144   0.0531931   0.0232628   89  ALA   A HB1  
2964 H HB2  . ALA   B 77  ? 0.30263  0.22209  0.189367 0.0782207   0.0424832   0.0157632   89  ALA   A HB2  
2965 H HB3  . ALA   B 77  ? 0.318535 0.235519 0.190495 0.0929727   0.0420752   0.0183196   89  ALA   A HB3  
2966 N N    . TRP   B 78  ? 0.325369 0.239823 0.227227 0.0750735   0.0251762   0.0065719   90  TRP   A N    
2967 C CA   . TRP   B 78  ? 0.330001 0.242565 0.238002 0.075207    0.0120594   0.00232102  90  TRP   A CA   
2968 C C    . TRP   B 78  ? 0.341162 0.25934  0.259721 0.0765649   0.00911326  -5.897e-05  90  TRP   A C    
2969 O O    . TRP   B 78  ? 0.373761 0.290456 0.29197  0.0837638   -0.00288861 -0.00474557 90  TRP   A O    
2970 C CB   . TRP   B 78  ? 0.332451 0.247759 0.251579 0.0621305   0.0094402   0.00550676  90  TRP   A CB   
2971 C CG   . TRP   B 78  ? 0.331137 0.23715  0.245916 0.0650919   0.00299824  0.00642303  90  TRP   A CG   
2972 C CD1  . TRP   B 78  ? 0.33709  0.242116 0.241017 0.07318     0.00722866  0.00641851  90  TRP   A CD1  
2973 C CD2  . TRP   B 78  ? 0.349637 0.246103 0.276105 0.0603971   -0.00963689 0.00780988  90  TRP   A CD2  
2974 N NE1  . TRP   B 78  ? 0.354834 0.251034 0.262506 0.0767682   -0.00210377 0.00557924  90  TRP   A NE1  
2975 C CE2  . TRP   B 78  ? 0.358739 0.24608  0.280315 0.0687518   -0.0132613  0.00695661  90  TRP   A CE2  
2976 C CE3  . TRP   B 78  ? 0.370141 0.265397 0.314435 0.0494289   -0.0181542  0.0107301   90  TRP   A CE3  
2977 C CZ2  . TRP   B 78  ? 0.371781 0.243256 0.305511 0.0683363   -0.0265057  0.00800323  90  TRP   A CZ2  
2978 C CZ3  . TRP   B 78  ? 0.39603  0.275269 0.352726 0.0458019   -0.0311424  0.0139808   90  TRP   A CZ3  
2979 C CH2  . TRP   B 78  ? 0.389306 0.254149 0.34064  0.0559306   -0.0358562  0.0123004   90  TRP   A CH2  
2980 H H    . TRP   B 78  ? 0.313624 0.232479 0.220121 0.0672038   0.0306843   0.00770401  90  TRP   A H    
2981 H HA   . TRP   B 78  ? 0.342033 0.249013 0.241332 0.0834999   0.00596654  -0.00080255 90  TRP   A HA   
2982 H HB2  . TRP   B 78  ? 0.322332 0.245434 0.243217 0.0553132   0.017641    0.00843652  90  TRP   A HB2  
2983 H HB3  . TRP   B 78  ? 0.331004 0.248216 0.260626 0.0580454   0.00355591  0.00464803  90  TRP   A HB3  
2984 H HD1  . TRP   B 78  ? 0.334905 0.244671 0.232008 0.0762251   0.0152552   0.00714173  90  TRP   A HD1  
2985 H HE1  . TRP   B 78  ? 0.354796 0.251471 0.258976 0.0829357   -0.00099602 0.0048676   90  TRP   A HE1  
2986 H HE3  . TRP   B 78  ? 0.362848 0.267945 0.313103 0.0445961   -0.0153057  0.0108721   90  TRP   A HE3  
2987 H HZ2  . TRP   B 78  ? 0.382332 0.247978 0.31485  0.0760928   -0.0290509  0.00635028  90  TRP   A HZ2  
2988 H HZ3  . TRP   B 78  ? 0.394844 0.27304  0.366374 0.0364068   -0.036936   0.0178556   90  TRP   A HZ3  
2989 H HH2  . TRP   B 78  ? 0.404287 0.25533  0.366784 0.0542351   -0.0455979  0.0145547   90  TRP   A HH2  
2990 N N    . ASP   B 79  ? 0.309969 0.236599 0.239056 0.0706463   0.0191979   0.00107305  91  ASP   A N    
2991 C CA   . ASP   B 79  ? 0.313367 0.247977 0.256496 0.0748862   0.0179752   -0.00157682 91  ASP   A CA   
2992 C C    . ASP   B 79  ? 0.346891 0.273772 0.279331 0.0905309   0.0114549   0.00039617  91  ASP   A C    
2993 O O    . ASP   B 79  ? 0.346812 0.280549 0.287128 0.0963676   0.00054684  -0.00216503 91  ASP   A O    
2994 C CB   . ASP   B 79  ? 0.30891  0.251424 0.263038 0.0704421   0.0312668   -0.00420228 91  ASP   A CB   
2995 C CG   . ASP   B 79  ? 0.325215 0.287546 0.291863 0.0565639   0.0356256   -0.00662288 91  ASP   A CG   
2996 O OD1  . ASP   B 79  ? 0.312106 0.280948 0.285738 0.0502292   0.0269291   -0.00327292 91  ASP   A OD1  
2997 O OD2  . ASP   B 79  ? 0.345179 0.3168   0.313876 0.0513368   0.0474188   -0.0116493  91  ASP   A OD2  
2998 H H    . ASP   B 79  ? 0.310814 0.2395   0.239221 0.0646511   0.0264035   0.00227259  91  ASP   A H    
2999 H HA   . ASP   B 79  ? 0.315667 0.257824 0.269471 0.0705181   0.0115349   -0.00330782 91  ASP   A HA   
3000 H HB2  . ASP   B 79  ? 0.314568 0.249574 0.26025  0.0697211   0.037558    -0.00310018 91  ASP   A HB2  
3001 H HB3  . ASP   B 79  ? 0.31837  0.262194 0.28084  0.0777334   0.0310291   -0.00570307 91  ASP   A HB3  
3002 N N    . ILE   B 80  ? 0.395593 0.311844 0.310524 0.0965931   0.0177539   0.00645821  92  ILE   A N    
3003 C CA   . ILE   B 80  ? 0.435071 0.347474 0.33414  0.111148    0.0128769   0.0127607   92  ILE   A CA   
3004 C C    . ILE   B 80  ? 0.396307 0.312256 0.280897 0.117626    -0.0014293  0.00602114  92  ILE   A C    
3005 O O    . ILE   B 80  ? 0.380433 0.302322 0.262874 0.126683    -0.0133129  0.00421471  92  ILE   A O    
3006 C CB   . ILE   B 80  ? 0.474622 0.378524 0.360665 0.113252    0.0252171   0.0241534   92  ILE   A CB   
3007 C CG1  . ILE   B 80  ? 0.460274 0.355728 0.3644   0.10886     0.0354507   0.0282008   92  ILE   A CG1  
3008 C CG2  . ILE   B 80  ? 0.506342 0.411884 0.369358 0.127847    0.0211611   0.0343279   92  ILE   A CG2  
3009 C CD1  . ILE   B 80  ? 0.47227  0.35856  0.372965 0.103487    0.0478594   0.0373925   92  ILE   A CD1  
3010 H H    . ILE   B 80  ? 0.383719 0.297368 0.29666  0.0910242   0.0253915   0.00774057  92  ILE   A H    
3011 H HA   . ILE   B 80  ? 0.429274 0.343977 0.337505 0.115765    0.0102387   0.0141831   92  ILE   A HA   
3012 H HB   . ILE   B 80  ? 0.460787 0.365129 0.342717 0.107653    0.0291466   0.0221853   92  ILE   A HB   
3013 H HG12 . ILE   B 80  ? 0.474889 0.368167 0.383075 0.116847    0.031892    0.0325652   92  ILE   A HG12 
3014 H HG13 . ILE   B 80  ? 0.451712 0.350837 0.368379 0.101556    0.0369012   0.0198364   92  ILE   A HG13 
3015 H HG21 . ILE   B 80  ? 0.510684 0.411771 0.370258 0.127803    0.0299602   0.0448766   92  ILE   A HG21 
3016 H HG22 . ILE   B 80  ? 0.511118 0.418703 0.37667  0.134506    0.0136314   0.0354727   92  ILE   A HG22 
3017 H HG23 . ILE   B 80  ? 0.506046 0.416659 0.355849 0.130671    0.0170623   0.0292406   92  ILE   A HG23 
3018 H HD11 . ILE   B 80  ? 0.46103  0.352189 0.357732 0.0969715   0.0503144   0.0336332   92  ILE   A HD11 
3019 H HD12 . ILE   B 80  ? 0.471752 0.350592 0.386694 0.0995616   0.0527451   0.0361191   92  ILE   A HD12 
3020 H HD13 . ILE   B 80  ? 0.484871 0.369178 0.374599 0.110347    0.0481488   0.0483634   92  ILE   A HD13 
3021 N N    . GLY   B 81  ? 0.404877 0.317479 0.281803 0.113789    -0.00173519 0.00060209  93  GLY   A N    
3022 C CA   . GLY   B 81  ? 0.418949 0.331562 0.276973 0.124271    -0.0122881  -0.00789302 93  GLY   A CA   
3023 C C    . GLY   B 81  ? 0.436632 0.349173 0.307167 0.121978    -0.0307262  -0.0210183  93  GLY   A C    
3024 O O    . GLY   B 81  ? 0.432063 0.349272 0.291638 0.132367    -0.0448332  -0.0298798  93  GLY   A O    
3025 H H    . GLY   B 81  ? 0.390474 0.301314 0.274311 0.105409    0.0044007   0.00134213  93  GLY   A H    
3026 H HA2  . GLY   B 81  ? 0.435655 0.352458 0.278164 0.134138    -0.0118658  -0.00387525 93  GLY   A HA2  
3027 H HA3  . GLY   B 81  ? 0.420749 0.330447 0.274241 0.12321     -0.00805567 -0.0093473  93  GLY   A HA3  
3028 N N    . VAL   B 82  ? 0.435344 0.344912 0.3299   0.106782    -0.0303853  -0.0210092  94  VAL   A N    
3029 C CA   . VAL   B 82  ? 0.44591  0.355444 0.361377 0.0987604   -0.0460013  -0.0294257  94  VAL   A CA   
3030 C C    . VAL   B 82  ? 0.448753 0.37251  0.372565 0.103262    -0.0548372  -0.031406   94  VAL   A C    
3031 O O    . VAL   B 82  ? 0.502637 0.428535 0.432445 0.104725    -0.0730758  -0.0429374  94  VAL   A O    
3032 C CB   . VAL   B 82  ? 0.447824 0.358347 0.388912 0.0798924   -0.0414984  -0.0226071  94  VAL   A CB   
3033 C CG1  . VAL   B 82  ? 0.451245 0.364034 0.418791 0.0694648   -0.0576954  -0.02808    94  VAL   A CG1  
3034 C CG2  . VAL   B 82  ? 0.44071  0.338628 0.375892 0.0759329   -0.0362441  -0.0186822  94  VAL   A CG2  
3035 H H    . VAL   B 82  ? 0.421171 0.330025 0.31955  0.100453    -0.0201907  -0.0148049  94  VAL   A H    
3036 H HA   . VAL   B 82  ? 0.461399 0.362986 0.370286 0.103109    -0.0553884  -0.0384991  94  VAL   A HA   
3037 H HB   . VAL   B 82  ? 0.430547 0.350848 0.376639 0.0768037   -0.0314857  -0.0163231  94  VAL   A HB   
3038 H HG11 . VAL   B 82  ? 0.468413 0.372469 0.43061  0.0755411   -0.0701132  -0.0382511  94  VAL   A HG11 
3039 H HG12 . VAL   B 82  ? 0.448053 0.375054 0.426819 0.0681955   -0.0578572  -0.0271819  94  VAL   A HG12 
3040 H HG13 . VAL   B 82  ? 0.449606 0.359536 0.429686 0.0578333   -0.0558546  -0.0222026  94  VAL   A HG13 
3041 H HG21 . VAL   B 82  ? 0.435504 0.336214 0.384554 0.0640171   -0.0336395  -0.0119774  94  VAL   A HG21 
3042 H HG22 . VAL   B 82  ? 0.436365 0.335549 0.358086 0.0809668   -0.0261439  -0.0152339  94  VAL   A HG22 
3043 H HG23 . VAL   B 82  ? 0.455877 0.342916 0.388024 0.0805478   -0.0460344  -0.0261952  94  VAL   A HG23 
3044 N N    . ALA   B 83  ? 0.407451 0.340372 0.334027 0.106069    -0.043491   -0.0214253  95  ALA   A N    
3045 C CA   . ALA   B 83  ? 0.404916 0.352676 0.341819 0.113588    -0.0524717  -0.0215377  95  ALA   A CA   
3046 C C    . ALA   B 83  ? 0.445906 0.395685 0.356557 0.130664    -0.0661608  -0.0253358  95  ALA   A C    
3047 O O    . ALA   B 83  ? 0.456374 0.420973 0.375481 0.137338    -0.0796883  -0.0272021  95  ALA   A O    
3048 C CB   . ALA   B 83  ? 0.404261 0.356211 0.34983  0.116276    -0.0376289  -0.0108902  95  ALA   A CB   
3049 H H    . ALA   B 83  ? 0.403376 0.333156 0.327297 0.103671    -0.0310056  -0.0150852  95  ALA   A H    
3050 H HA   . ALA   B 83  ? 0.409129 0.365188 0.36718  0.105744    -0.0604396  -0.0265158  95  ALA   A HA   
3051 H HB1  . ALA   B 83  ? 0.387021 0.341168 0.346858 0.106144    -0.029134   -0.0107053  95  ALA   A HB1  
3052 H HB2  . ALA   B 83  ? 0.405376 0.348183 0.333318 0.122213    -0.0303136  -0.00481578 95  ALA   A HB2  
3053 H HB3  . ALA   B 83  ? 0.406458 0.368858 0.362307 0.122488    -0.044111   -0.0104345  95  ALA   A HB3  
3054 N N    . THR   B 84  ? 0.459068 0.399422 0.337673 0.138963    -0.0632224  -0.0265159  96  THR   A N    
3055 C CA   . THR   B 84  ? 0.472816 0.421782 0.323395 0.155222    -0.0769324  -0.0322421  96  THR   A CA   
3056 C C    . THR   B 84  ? 0.493121 0.439688 0.341108 0.154671    -0.0957001  -0.0556403  96  THR   A C    
3057 O O    . THR   B 84  ? 0.578619 0.532378 0.396789 0.168932    -0.104903   -0.0646702  96  THR   A O    
3058 C CB   . THR   B 84  ? 0.478006 0.425168 0.293938 0.16638     -0.0627792  -0.0211004  96  THR   A CB   
3059 O OG1  . THR   B 84  ? 0.494264 0.432198 0.302679 0.163572    -0.0599148  -0.0339624  96  THR   A OG1  
3060 C CG2  . THR   B 84  ? 0.44911  0.390231 0.27353  0.162473    -0.043044   0.00050397  96  THR   A CG2  
3061 H H    . THR   B 84  ? 0.447269 0.379143 0.321176 0.135163    -0.0528467  -0.0239869  96  THR   A H    
3062 H HA   . THR   B 84  ? 0.480628 0.440067 0.336806 0.159915    -0.0837291  -0.0280638  96  THR   A HA   
3063 H HB   . THR   B 84  ? 0.502401 0.459806 0.297875 0.178023    -0.0703328  -0.0207886  96  THR   A HB   
3065 H HG21 . THR   B 84  ? 0.466797 0.410201 0.271055 0.170277    -0.036896   0.0108007   96  THR   A HG21 
3066 H HG22 . THR   B 84  ? 0.436212 0.369134 0.270977 0.15286     -0.0337909  -0.00048805 96  THR   A HG22 
3067 H HG23 . THR   B 84  ? 0.449122 0.393086 0.289959 0.161888    -0.0462509  0.00477585  96  THR   A HG23 
3068 N N    . MET   B 85  ? 0.486658 0.423307 0.364247 0.138992    -0.101616   -0.0652053  97  MET   A N    
3069 C CA   . MET   B 85  ? 0.521994 0.447014 0.400207 0.137871    -0.118543   -0.0875674  97  MET   A CA   
3070 C C    . MET   B 85  ? 0.545925 0.478252 0.454443 0.128325    -0.14179    -0.100172   97  MET   A C    
3071 O O    . MET   B 85  ? 0.517979 0.46386  0.455066 0.118075    -0.139883   -0.0888304  97  MET   A O    
3072 C CB   . MET   B 85  ? 0.515392 0.418384 0.408627 0.125928    -0.110414   -0.0869259  97  MET   A CB   
3073 C CG   . MET   B 85  ? 0.532575 0.429367 0.40159  0.13423     -0.0908989  -0.0790336  97  MET   A CG   
3074 S SD   . MET   B 85  ? 0.522313 0.396534 0.409012 0.12367     -0.0849902  -0.0772267  97  MET   A SD   
3075 C CE   . MET   B 85  ? 0.570834 0.424524 0.467647 0.12709     -0.111437   -0.105531   97  MET   A CE   
3076 H H    . MET   B 85  ? 0.470128 0.406948 0.369005 0.128659    -0.0950487  -0.0573437  97  MET   A H    
3077 H HA   . MET   B 85  ? 0.543133 0.47058  0.39419  0.151265    -0.122005   -0.0960105  97  MET   A HA   
3078 H HB2  . MET   B 85  ? 0.501223 0.405262 0.41759  0.112877    -0.105528   -0.076684   97  MET   A HB2  
3079 H HB3  . MET   B 85  ? 0.536861 0.429561 0.43649  0.124789    -0.124163   -0.102009   97  MET   A HB3  
3080 H HG2  . MET   B 85  ? 0.545483 0.445542 0.39117  0.147641    -0.0938144  -0.0883213  97  MET   A HG2  
3081 H HG3  . MET   B 85  ? 0.510894 0.415571 0.376622 0.133519    -0.0780906  -0.0645559  97  MET   A HG3  
3082 H HE1  . MET   B 85  ? 0.568846 0.407178 0.476905 0.123403    -0.111039   -0.104817   97  MET   A HE1  
3083 H HE2  . MET   B 85  ? 0.570286 0.424586 0.484866 0.118045    -0.12285    -0.108353   97  MET   A HE2  
3084 H HE3  . MET   B 85  ? 0.586701 0.444579 0.461362 0.141779    -0.115238   -0.119115   97  MET   A HE3  
3085 N N    . LYS   B 86  ? 0.593511 0.518045 0.498577 0.131562    -0.1637     -0.125571   98  LYS   A N    
3086 C CA   . LYS   B 86  ? 0.617868 0.54736  0.554843 0.120491    -0.189494   -0.141723   98  LYS   A CA   
3087 C C    . LYS   B 86  ? 0.580435 0.482045 0.551644 0.101992    -0.197593   -0.150643   98  LYS   A C    
3088 O O    . LYS   B 86  ? 0.56331  0.440026 0.523445 0.105386    -0.190062   -0.153598   98  LYS   A O    
3089 C CB   . LYS   B 86  ? 0.705204 0.646318 0.613203 0.137828    -0.212672   -0.167533   98  LYS   A CB   
3090 C CG   . LYS   B 86  ? 0.757876 0.727077 0.630067 0.156832    -0.207761   -0.15535    98  LYS   A CG   
3091 C CD   . LYS   B 86  ? 0.831222 0.815622 0.661884 0.176885    -0.227206   -0.178479   98  LYS   A CD   
3092 C CE   . LYS   B 86  ? 0.87199  0.883546 0.666717 0.194786    -0.22002    -0.157782   98  LYS   A CE   
3093 N NZ   . LYS   B 86  ? 0.974783 1.01332  0.749975 0.20685     -0.248698   -0.176449   98  LYS   A NZ   
3094 H H    . LYS   B 86  ? 0.604694 0.520951 0.487526 0.141222    -0.162652   -0.134513   98  LYS   A H    
3095 H HA   . LYS   B 86  ? 0.59868  0.544335 0.555379 0.113766    -0.187865   -0.130089   98  LYS   A HA   
3096 H HB2  . LYS   B 86  ? 0.722496 0.649082 0.612116 0.145268    -0.213923   -0.18166    98  LYS   A HB2  
3097 H HB3  . LYS   B 86  ? 0.716412 0.661904 0.648238 0.129342    -0.231392   -0.179409   98  LYS   A HB3  
3098 H HG2  . LYS   B 86  ? 0.739887 0.723995 0.633024 0.151447    -0.210734   -0.145277   98  LYS   A HG2  
3099 H HG3  . LYS   B 86  ? 0.736725 0.701637 0.592686 0.161613    -0.187835   -0.139815   98  LYS   A HG3  
3100 H HD2  . LYS   B 86  ? 0.846908 0.818487 0.658012 0.183319    -0.223872   -0.190984   98  LYS   A HD2  
3101 H HD3  . LYS   B 86  ? 0.849801 0.840084 0.697244 0.171921    -0.248774   -0.195156   98  LYS   A HD3  
3102 H HE2  . LYS   B 86  ? 0.852242 0.868245 0.666744 0.189154    -0.211794   -0.137683   98  LYS   A HE2  
3103 H HE3  . LYS   B 86  ? 0.880934 0.88919  0.646134 0.204346    -0.205215   -0.151721   98  LYS   A HE3  
3104 H HZ1  . LYS   B 86  ? 0.949142 0.994524 0.753965 0.19801     -0.262044   -0.179376   98  LYS   A HZ1  
3105 H HZ2  . LYS   B 86  ? 0.978178 1.01228  0.737879 0.211278    -0.25794    -0.199112   98  LYS   A HZ2  
3106 H HZ3  . LYS   B 86  ? 0.963084 1.01759  0.712325 0.219072    -0.244608   -0.162611   98  LYS   A HZ3  
3107 N N    . LYS   B 87  ? 0.553792 0.461367 0.569776 0.0824837   -0.213691   -0.153237   99  LYS   A N    
3108 C CA   . LYS   B 87  ? 0.558124 0.439204 0.612859 0.0621619   -0.225382   -0.159202   99  LYS   A CA   
3109 C C    . LYS   B 87  ? 0.606706 0.458484 0.640684 0.07576     -0.242037   -0.189996   99  LYS   A C    
3110 O O    . LYS   B 87  ? 0.638873 0.500122 0.652731 0.0896397   -0.261233   -0.216795   99  LYS   A O    
3111 C CB   . LYS   B 87  ? 0.547167 0.445107 0.653878 0.0394238   -0.24285    -0.159457   99  LYS   A CB   
3112 H H    . LYS   B 87  ? 0.553038 0.482924 0.577528 0.081721    -0.217554   -0.149817   99  LYS   A H    
3113 H HA   . LYS   B 87  ? 0.540447 0.412039 0.601389 0.0548002   -0.20937    -0.141586   99  LYS   A HA   
3116 N N    . GLY   B 88  ? 0.612375 0.431718 0.6473   0.0749645   -0.233251   -0.1862     100 GLY   A N    
3117 C CA   . GLY   B 88  ? 0.652385 0.442686 0.67134  0.0905727   -0.246714   -0.216612   100 GLY   A CA   
3118 C C    . GLY   B 88  ? 0.65387  0.45069  0.620704 0.117982    -0.228298   -0.219715   100 GLY   A C    
3119 O O    . GLY   B 88  ? 0.6928   0.466951 0.648448 0.132388    -0.232526   -0.240737   100 GLY   A O    
3120 H H    . GLY   B 88  ? 0.589725 0.406285 0.635739 0.0655742   -0.218993   -0.165013   100 GLY   A H    
3121 H HA2  . GLY   B 88  ? 0.661179 0.424925 0.704959 0.0805719   -0.249541   -0.213497   100 GLY   A HA2  
3122 H HA3  . GLY   B 88  ? 0.680197 0.472912 0.700799 0.0929647   -0.266691   -0.239895   100 GLY   A HA3  
3123 N N    . GLU   B 89  ? 0.62672  0.453565 0.565987 0.124926    -0.207038   -0.198036   101 GLU   A N    
3124 C CA   . GLU   B 89  ? 0.62296  0.459123 0.517398 0.147505    -0.188126   -0.196727   101 GLU   A CA   
3125 C C    . GLU   B 89  ? 0.597128 0.412409 0.498586 0.146664    -0.170925   -0.183702   101 GLU   A C    
3126 O O    . GLU   B 89  ? 0.539818 0.34205  0.473452 0.127314    -0.165657   -0.16266    101 GLU   A O    
3127 C CB   . GLU   B 89  ? 0.596595 0.466047 0.466925 0.15224     -0.172501   -0.174737   101 GLU   A CB   
3128 C CG   . GLU   B 89  ? 0.600844 0.485773 0.425758 0.173109    -0.152732   -0.16885    101 GLU   A CG   
3129 C CD   . GLU   B 89  ? 0.595734 0.507382 0.402943 0.175947    -0.139793   -0.144139   101 GLU   A CD   
3130 O OE1  . GLU   B 89  ? 0.612727 0.539661 0.424204 0.174395    -0.153243   -0.144011   101 GLU   A OE1  
3131 O OE2  . GLU   B 89  ? 0.612307 0.529577 0.404746 0.17958     -0.116775   -0.123596   101 GLU   A OE2  
3132 H H    . GLU   B 89  ? 0.605802 0.447804 0.55645  0.115318    -0.204086   -0.183625   101 GLU   A H    
3133 H HA   . GLU   B 89  ? 0.651341 0.48768  0.526679 0.161598    -0.198762   -0.220625   101 GLU   A HA   
3134 H HB2  . GLU   B 89  ? 0.609728 0.492338 0.478435 0.153367    -0.185956   -0.182882   101 GLU   A HB2  
3135 H HB3  . GLU   B 89  ? 0.569618 0.439585 0.458588 0.139469    -0.162122   -0.154226   101 GLU   A HB3  
3136 H HG2  . GLU   B 89  ? 0.590007 0.46478  0.418711 0.171713    -0.139632   -0.160614   101 GLU   A HG2  
3137 H HG3  . GLU   B 89  ? 0.632532 0.520992 0.436213 0.186917    -0.161361   -0.189388   101 GLU   A HG3  
3138 N N    . ILE   B 90  ? 0.615104 0.431616 0.485675 0.169069    -0.163487   -0.197705   102 ILE   A N    
3139 C CA   . ILE   B 90  ? 0.617013 0.427768 0.485433 0.174182    -0.14367    -0.183818   102 ILE   A CA   
3140 C C    . ILE   B 90  ? 0.599634 0.441494 0.426852 0.191719    -0.122812   -0.177337   102 ILE   A C    
3141 O O    . ILE   B 90  ? 0.654101 0.512377 0.449374 0.210579    -0.126526   -0.197675   102 ILE   A O    
3142 C CB   . ILE   B 90  ? 0.688316 0.469417 0.571004 0.184517    -0.153865   -0.205884   102 ILE   A CB   
3143 C CG1  . ILE   B 90  ? 0.738484 0.483323 0.66746  0.164621    -0.173651   -0.205866   102 ILE   A CG1  
3144 C CG2  . ILE   B 90  ? 0.676189 0.461389 0.554838 0.192862    -0.132496   -0.190087   102 ILE   A CG2  
3145 C CD1  . ILE   B 90  ? 0.796418 0.504968 0.743347 0.176435    -0.191114   -0.23401    102 ILE   A CD1  
3146 H H    . ILE   B 90  ? 0.643828 0.468212 0.494211 0.182014    -0.171452   -0.21737    102 ILE   A H    
3147 H HA   . ILE   B 90  ? 0.591616 0.399382 0.477907 0.159413    -0.1363     -0.16222    102 ILE   A HA   
3148 H HB   . ILE   B 90  ? 0.717463 0.501936 0.582677 0.199787    -0.161989   -0.231074   102 ILE   A HB   
3149 H HG12 . ILE   B 90  ? 0.706151 0.448627 0.650223 0.151672    -0.164265   -0.181008   102 ILE   A HG12 
3150 H HG13 . ILE   B 90  ? 0.734711 0.482637 0.670134 0.155373    -0.184975   -0.210532   102 ILE   A HG13 
3151 H HG21 . ILE   B 90  ? 0.692846 0.456945 0.587574 0.197789    -0.139849   -0.200168   102 ILE   A HG21 
3152 H HG22 . ILE   B 90  ? 0.64454  0.433403 0.532814 0.17909     -0.122691   -0.165459   102 ILE   A HG22 
3153 H HG23 . ILE   B 90  ? 0.676201 0.48291  0.527852 0.207196    -0.121747   -0.194609   102 ILE   A HG23 
3154 H HD11 . ILE   B 90  ? 0.818479 0.532873 0.74539  0.192769    -0.197644   -0.261101   102 ILE   A HD11 
3155 H HD12 . ILE   B 90  ? 0.803982 0.489409 0.781015 0.161823    -0.206173   -0.234206   102 ILE   A HD12 
3156 H HD13 . ILE   B 90  ? 0.786278 0.489326 0.736075 0.182656    -0.181296   -0.225142   102 ILE   A HD13 
3157 N N    . ALA   B 91  ? 0.559133 0.408578 0.388858 0.185262    -0.101032   -0.149701   103 ALA   A N    
3158 C CA   . ALA   B 91  ? 0.563028 0.440918 0.362496 0.195196    -0.0796469  -0.135811   103 ALA   A CA   
3159 C C    . ALA   B 91  ? 0.535235 0.413962 0.344449 0.193206    -0.061056   -0.119629   103 ALA   A C    
3160 O O    . ALA   B 91  ? 0.545057 0.404409 0.382944 0.181118    -0.0643424  -0.112753   103 ALA   A O    
3161 C CB   . ALA   B 91  ? 0.553225 0.444311 0.349612 0.183892    -0.0743119  -0.114304   103 ALA   A CB   
3162 H H    . ALA   B 91  ? 0.549344 0.386207 0.401242 0.173374    -0.0998844  -0.138596   103 ALA   A H    
3163 H HA   . ALA   B 91  ? 0.586022 0.475379 0.362274 0.210943    -0.0811896  -0.150997   103 ALA   A HA   
3164 H HB1  . ALA   B 91  ? 0.563599 0.457012 0.355455 0.185653    -0.0872432  -0.123951   103 ALA   A HB1  
3165 H HB2  . ALA   B 91  ? 0.527307 0.409736 0.345375 0.169556    -0.0719344  -0.101778   103 ALA   A HB2  
3166 H HB3  . ALA   B 91  ? 0.545638 0.452628 0.324133 0.189467    -0.0606419  -0.103235   103 ALA   A HB3  
3167 N N    . HIS   B 92  ? 0.509535 0.414085 0.295019 0.204142    -0.0422728  -0.111635   104 HIS   A N    
3168 C CA   . HIS   B 92  ? 0.48148  0.395453 0.275205 0.203828    -0.0244503  -0.0979363  104 HIS   A CA   
3169 C C    . HIS   B 92  ? 0.489185 0.418857 0.277875 0.19148     -0.00717754 -0.070214   104 HIS   A C    
3170 O O    . HIS   B 92  ? 0.500645 0.443694 0.267132 0.195215    -0.00373921 -0.064578   104 HIS   A O    
3171 C CB   . HIS   B 92  ? 0.496867 0.431515 0.272007 0.22744     -0.0168781  -0.114572   104 HIS   A CB   
3172 C CG   . HIS   B 92  ? 0.509284 0.425345 0.299114 0.240751    -0.0308449  -0.141353   104 HIS   A CG   
3173 N ND1  . HIS   B 92  ? 0.527281 0.4618   0.306086 0.264821    -0.0244901  -0.161213   104 HIS   A ND1  
3174 C CD2  . HIS   B 92  ? 0.509145 0.390149 0.329091 0.232942    -0.0486319  -0.147873   104 HIS   A CD2  
3175 C CE1  . HIS   B 92  ? 0.547711 0.454821 0.349552 0.273335    -0.0403425  -0.182763   104 HIS   A CE1  
3176 N NE2  . HIS   B 92  ? 0.532346 0.404955 0.359893 0.253095    -0.055595   -0.172972   104 HIS   A NE2  
3177 H H    . HIS   B 92  ? 0.525407 0.444348 0.289198 0.211671    -0.0408865  -0.113921   104 HIS   A H    
3178 H HA   . HIS   B 92  ? 0.477652 0.375787 0.293645 0.196113    -0.0291083  -0.0958443  104 HIS   A HA   
3179 H HB2  . HIS   B 92  ? 0.514491 0.462782 0.265436 0.235929    -0.016615   -0.120471   104 HIS   A HB2  
3180 H HB3  . HIS   B 92  ? 0.484319 0.434835 0.261226 0.2265      -0.00175708 -0.101176   104 HIS   A HB3  
3182 H HD2  . HIS   B 92  ? 0.493762 0.359413 0.327615 0.217089    -0.055155   -0.137342   104 HIS   A HD2  
3183 H HE1  . HIS   B 92  ? 0.570565 0.482584 0.37172  0.291238    -0.0403972  -0.201628   104 HIS   A HE1  
3185 N N    . LEU   B 93  ? 0.490344 0.415835 0.301089 0.176015    0.00095291  -0.0531783  105 LEU   A N    
3186 C CA   . LEU   B 93  ? 0.4578   0.394333 0.268413 0.163993    0.0163512   -0.0308379  105 LEU   A CA   
3187 C C    . LEU   B 93  ? 0.431873 0.383421 0.253161 0.161675    0.0308902   -0.0214767  105 LEU   A C    
3188 O O    . LEU   B 93  ? 0.38418  0.330995 0.222714 0.161358    0.0263767   -0.0262215  105 LEU   A O    
3189 C CB   . LEU   B 93  ? 0.449296 0.371279 0.276715 0.145376    0.0122968   -0.0211447  105 LEU   A CB   
3190 C CG   . LEU   B 93  ? 0.465336 0.376661 0.291501 0.144686    -0.00253683 -0.0285963  105 LEU   A CG   
3191 C CD1  . LEU   B 93  ? 0.43877  0.341094 0.287013 0.127182    -0.00523886 -0.0214169  105 LEU   A CD1  
3192 C CD2  . LEU   B 93  ? 0.511811 0.434922 0.315423 0.153969    0.00033811  -0.0237654  105 LEU   A CD2  
3193 H H    . LEU   B 93  ? 0.47507  0.390127 0.301555 0.173048    -0.00409275 -0.0560484  105 LEU   A H    
3194 H HA   . LEU   B 93  ? 0.470982 0.41792  0.264038 0.170296    0.0206748   -0.028003   105 LEU   A HA   
3195 H HB2  . LEU   B 93  ? 0.438057 0.353428 0.280651 0.138313    0.0098351   -0.0208921  105 LEU   A HB2  
3196 H HB3  . LEU   B 93  ? 0.439789 0.368108 0.26679  0.139691    0.0225058   -0.00913017 105 LEU   A HB3  
3197 H HG   . LEU   B 93  ? 0.481223 0.385945 0.307173 0.150811    -0.0134277  -0.0420817  105 LEU   A HG   
3198 H HD11 . LEU   B 93  ? 0.434768 0.331178 0.295124 0.121225    -0.00749744 -0.0220225  105 LEU   A HD11 
3199 H HD12 . LEU   B 93  ? 0.445913 0.344997 0.296227 0.127108    -0.0147012  -0.0263838  105 LEU   A HD12 
3200 H HD13 . LEU   B 93  ? 0.430162 0.337423 0.279453 0.12202     0.00459881  -0.0112189  105 LEU   A HD13 
3201 H HD21 . LEU   B 93  ? 0.518466 0.45042  0.305179 0.165927    0.00108198  -0.02993    105 LEU   A HD21 
3202 H HD22 . LEU   B 93  ? 0.492678 0.419901 0.297631 0.148961    0.0112168   -0.0100894  105 LEU   A HD22 
3203 H HD23 . LEU   B 93  ? 0.504716 0.423547 0.310351 0.15313     -0.00987278 -0.0277883  105 LEU   A HD23 
3204 N N    . LEU   B 94  ? 0.448113 0.418692 0.260247 0.160425    0.0470692   -0.00685951 106 LEU   A N    
3205 C CA   . LEU   B 94  ? 0.437658 0.425747 0.263953 0.152711    0.0619702   0.00602405  106 LEU   A CA   
3206 C C    . LEU   B 94  ? 0.445907 0.427762 0.279457 0.134898    0.0691782   0.0235356   106 LEU   A C    
3207 O O    . LEU   B 94  ? 0.445249 0.423521 0.265587 0.135689    0.071752    0.0322487   106 LEU   A O    
3208 C CB   . LEU   B 94  ? 0.469826 0.488925 0.283884 0.167159    0.0756787   0.00699858  106 LEU   A CB   
3209 C CG   . LEU   B 94  ? 0.484197 0.5287   0.319136 0.159846    0.0906953   0.0187917   106 LEU   A CG   
3210 C CD1  . LEU   B 94  ? 0.49247  0.534985 0.351583 0.160031    0.0821048   0.00888172  106 LEU   A CD1  
3211 C CD2  . LEU   B 94  ? 0.490881 0.572623 0.31326  0.173557    0.107278    0.0225188   106 LEU   A CD2  
3212 H H    . LEU   B 94  ? 0.455256 0.428393 0.252623 0.164059    0.0481245   -0.00393751 106 LEU   A H    
3213 H HA   . LEU   B 94  ? 0.433011 0.417353 0.274465 0.149412    0.0575056   0.00210475  106 LEU   A HA   
3214 H HB2  . LEU   B 94  ? 0.484153 0.504752 0.292193 0.180799    0.0696699   -0.00812063 106 LEU   A HB2  
3215 H HB3  . LEU   B 94  ? 0.484154 0.50838  0.281921 0.169223    0.0806259   0.0143838   106 LEU   A HB3  
3216 H HG   . LEU   B 94  ? 0.470347 0.510425 0.313366 0.145188    0.0951582   0.0317449   106 LEU   A HG   
3217 H HD11 . LEU   B 94  ? 0.470152 0.495699 0.338242 0.147823    0.0751712   0.0116372   106 LEU   A HD11 
3218 H HD12 . LEU   B 94  ? 0.482535 0.547147 0.35426  0.159141    0.0909851   0.0140842   106 LEU   A HD12 
3219 H HD13 . LEU   B 94  ? 0.496084 0.533362 0.349878 0.173493    0.0742738   -0.00499075 106 LEU   A HD13 
3220 H HD21 . LEU   B 94  ? 0.50788  0.591478 0.313744 0.173045    0.112309    0.0320567   106 LEU   A HD21 
3221 H HD22 . LEU   B 94  ? 0.508403 0.595678 0.322837 0.189454    0.10327     0.00697122  106 LEU   A HD22 
3222 H HD23 . LEU   B 94  ? 0.489278 0.589249 0.328858 0.167124    0.116818    0.0310561   106 LEU   A HD23 
3223 N N    . ILE   B 95  ? 0.426529 0.407365 0.282238 0.119963    0.0710286   0.0275427   107 ILE   A N    
3224 C CA   . ILE   B 95  ? 0.408433 0.377056 0.275498 0.10284     0.0728611   0.035158    107 ILE   A CA   
3225 C C    . ILE   B 95  ? 0.418298 0.402189 0.30345  0.0902531   0.0839282   0.044135    107 ILE   A C    
3226 O O    . ILE   B 95  ? 0.406612 0.404969 0.303982 0.0885671   0.0827148   0.0406072   107 ILE   A O    
3227 C CB   . ILE   B 95  ? 0.377954 0.331619 0.253325 0.0953886   0.0606164   0.0263074   107 ILE   A CB   
3228 C CG1  . ILE   B 95  ? 0.3901   0.329137 0.254416 0.103687    0.0491484   0.0185208   107 ILE   A CG1  
3229 C CG2  . ILE   B 95  ? 0.376262 0.324409 0.264407 0.0785302   0.0645614   0.0299086   107 ILE   A CG2  
3230 C CD1  . ILE   B 95  ? 0.384543 0.314277 0.257049 0.100752    0.0362465   0.0106246   107 ILE   A CD1  
3231 H H    . ILE   B 95  ? 0.421203 0.410608 0.285324 0.121522    0.0706072   0.0241252   107 ILE   A H    
3232 H HA   . ILE   B 95  ? 0.417362 0.379289 0.276469 0.104228    0.0745014   0.0400559   107 ILE   A HA   
3233 H HB   . ILE   B 95  ? 0.379609 0.339103 0.260928 0.0960458   0.0574004   0.0231323   107 ILE   A HB   
3234 H HG12 . ILE   B 95  ? 0.387426 0.319986 0.251449 0.0999928   0.0500908   0.021491    107 ILE   A HG12 
3235 H HG13 . ILE   B 95  ? 0.401269 0.34429  0.253825 0.115122    0.0487956   0.0161116   107 ILE   A HG13 
3236 H HG21 . ILE   B 95  ? 0.368493 0.308683 0.257869 0.0753772   0.0584278   0.0252747   107 ILE   A HG21 
3237 H HG22 . ILE   B 95  ? 0.380407 0.324566 0.267063 0.0780354   0.0701088   0.0353517   107 ILE   A HG22 
3238 H HG23 . ILE   B 95  ? 0.368357 0.325964 0.265885 0.0716563   0.0672884   0.0309376   107 ILE   A HG23 
3239 H HD11 . ILE   B 95  ? 0.386468 0.320296 0.26142  0.105304    0.0343003   0.00829728  107 ILE   A HD11 
3240 H HD12 . ILE   B 95  ? 0.390572 0.31221  0.258438 0.105305    0.0287975   0.00545438  107 ILE   A HD12 
3241 H HD13 . ILE   B 95  ? 0.374232 0.302967 0.255404 0.0897199   0.0369664   0.0134205   107 ILE   A HD13 
3242 N N    . LYS   B 96  ? 0.427913 0.40722  0.318356 0.080689    0.0927481   0.0557991   108 LYS   A N    
3243 C CA   . LYS   B 96  ? 0.4253   0.414269 0.338713 0.06422     0.100251    0.0616594   108 LYS   A CA   
3244 C C    . LYS   B 96  ? 0.405496 0.382133 0.331598 0.0502832   0.0923872   0.0507914   108 LYS   A C    
3245 O O    . LYS   B 96  ? 0.366237 0.325591 0.284382 0.0522574   0.0848865   0.0431098   108 LYS   A O    
3246 C CB   . LYS   B 96  ? 0.469856 0.453981 0.386049 0.0593383   0.111468    0.079204    108 LYS   A CB   
3247 C CG   . LYS   B 96  ? 0.497049 0.503624 0.398592 0.0717884   0.121753    0.0922463   108 LYS   A CG   
3248 C CD   . LYS   B 96  ? 0.536316 0.537877 0.441092 0.0648953   0.1331      0.116325    108 LYS   A CD   
3249 C CE   . LYS   B 96  ? 0.537872 0.567057 0.422728 0.0771722   0.145351    0.133131    108 LYS   A CE   
3250 N NZ   . LYS   B 96  ? 0.577298 0.59544  0.467476 0.0679265   0.154064    0.160619    108 LYS   A NZ   
3251 H H    . LYS   B 96  ? 0.436528 0.405981 0.317921 0.084258    0.093043    0.060115    108 LYS   A H    
3252 H HA   . LYS   B 96  ? 0.425637 0.43442  0.344459 0.0662777   0.102868    0.0616646   108 LYS   A HA   
3253 H HB2  . LYS   B 96  ? 0.470196 0.435025 0.380323 0.0609143   0.108015    0.0795781   108 LYS   A HB2  
3254 H HB3  . LYS   B 96  ? 0.46577  0.451911 0.400666 0.046103    0.11539     0.0824367   108 LYS   A HB3  
3255 H HG2  . LYS   B 96  ? 0.493846 0.522225 0.403852 0.0713232   0.125987    0.0911573   108 LYS   A HG2  
3256 H HG3  . LYS   B 96  ? 0.500822 0.505156 0.382952 0.0851901   0.116654    0.0865455   108 LYS   A HG3  
3257 H HD2  . LYS   B 96  ? 0.531445 0.510409 0.431066 0.0659744   0.12778     0.11716     108 LYS   A HD2  
3258 H HD3  . LYS   B 96  ? 0.527065 0.529774 0.454253 0.0503597   0.137494    0.120937    108 LYS   A HD3  
3259 H HE2  . LYS   B 96  ? 0.543002 0.597365 0.436373 0.0759673   0.152519    0.133289    108 LYS   A HE2  
3260 H HE3  . LYS   B 96  ? 0.549346 0.579134 0.411086 0.0919349   0.140186    0.12628     108 LYS   A HE3  
3261 H HZ1  . LYS   B 96  ? 0.571779 0.587024 0.485885 0.0531986   0.157906    0.165619    108 LYS   A HZ1  
3262 H HZ2  . LYS   B 96  ? 0.576151 0.57173  0.459648 0.0708117   0.146944    0.160506    108 LYS   A HZ2  
3263 H HZ3  . LYS   B 96  ? 0.589138 0.626586 0.466384 0.0741059   0.162595    0.173614    108 LYS   A HZ3  
3264 N N    . PRO   B 97  ? 0.398573 0.38876  0.345148 0.0356648   0.0941883   0.0494202   109 PRO   A N    
3265 C CA   . PRO   B 97  ? 0.383638 0.370765 0.337846 0.0235089   0.0861552   0.0367695   109 PRO   A CA   
3266 C C    . PRO   B 97  ? 0.384827 0.346525 0.337262 0.0187413   0.0851204   0.0296181   109 PRO   A C    
3267 O O    . PRO   B 97  ? 0.350963 0.310511 0.298158 0.0165206   0.0784413   0.0182617   109 PRO   A O    
3268 C CB   . PRO   B 97  ? 0.39745  0.403818 0.375708 0.00774903  0.0890895   0.0372641   109 PRO   A CB   
3269 C CG   . PRO   B 97  ? 0.378664 0.404103 0.365063 0.012277    0.0997812   0.0524154   109 PRO   A CG   
3270 C CD   . PRO   B 97  ? 0.384733 0.39964  0.348089 0.0303496   0.103932    0.0598478   109 PRO   A CD   
3271 H HA   . PRO   B 97  ? 0.377318 0.370225 0.324778 0.0283757   0.0794684   0.0325746   109 PRO   A HA   
3272 H HB2  . PRO   B 97  ? 0.396885 0.391642 0.38409  -0.00249903 0.0904697   0.0337996   109 PRO   A HB2  
3273 H HB3  . PRO   B 97  ? 0.381992 0.402092 0.362562 0.00517522  0.0825195   0.0313574   109 PRO   A HB3  
3274 H HG2  . PRO   B 97  ? 0.393859 0.418442 0.395296 0.00134997  0.105594    0.0578758   109 PRO   A HG2  
3275 H HG3  . PRO   B 97  ? 0.377837 0.425205 0.370261 0.0144155   0.0978021   0.0516258   109 PRO   A HG3  
3276 H HD2  . PRO   B 97  ? 0.401935 0.411312 0.367049 0.0282575   0.111595    0.0700482   109 PRO   A HD2  
3277 H HD3  . PRO   B 97  ? 0.387098 0.418295 0.345751 0.0405928   0.104693    0.0608552   109 PRO   A HD3  
3278 N N    . GLU   B 98  ? 0.420289 0.364818 0.377414 0.0188795   0.092164    0.0381191   110 GLU   A N    
3279 C CA   . GLU   B 98  ? 0.466894 0.386142 0.429135 0.0164647   0.0916948   0.0316881   110 GLU   A CA   
3280 C C    . GLU   B 98  ? 0.450674 0.361309 0.396898 0.0290994   0.0859269   0.0260446   110 GLU   A C    
3281 O O    . GLU   B 98  ? 0.448258 0.347102 0.400675 0.0271654   0.0844077   0.0144606   110 GLU   A O    
3282 C CB   . GLU   B 98  ? 0.50876  0.409703 0.480956 0.0163423   0.0992124   0.0479777   110 GLU   A CB   
3283 C CG   . GLU   B 98  ? 0.591116 0.495864 0.588281 -0.00077476 0.105372    0.0544474   110 GLU   A CG   
3284 C CD   . GLU   B 98  ? 0.649342 0.58039  0.647622 -0.00157223 0.113595    0.0731189   110 GLU   A CD   
3285 O OE1  . GLU   B 98  ? 0.600541 0.551468 0.578385 0.0123623   0.114276    0.0773392   110 GLU   A OE1  
3286 O OE2  . GLU   B 98  ? 0.728601 0.660322 0.75208  -0.0169025  0.12        0.0832679   110 GLU   A OE2  
3287 H H    . GLU   B 98  ? 0.430411 0.380027 0.388506 0.0212459   0.0976565   0.0492108   110 GLU   A H    
3288 H HA   . GLU   B 98  ? 0.462395 0.382389 0.434703 0.00636991  0.0898925   0.0203309   110 GLU   A HA   
3289 H HB2  . GLU   B 98  ? 0.520339 0.425465 0.479961 0.0261246   0.101257    0.0597378   110 GLU   A HB2  
3290 H HB3  . GLU   B 98  ? 0.526507 0.408989 0.502495 0.0181224   0.0976606   0.0436722   110 GLU   A HB3  
3291 H HG2  . GLU   B 98  ? 0.603627 0.487808 0.61235  -0.00398405 0.107636    0.0595601   110 GLU   A HG2  
3292 H HG3  . GLU   B 98  ? 0.579275 0.490172 0.584951 -0.010007   0.101556    0.0402973   110 GLU   A HG3  
3293 N N    . TYR   B 99  ? 0.411385 0.329329 0.340173 0.0418836   0.0826592   0.0323435   111 TYR   A N    
3294 C CA   . TYR   B 99  ? 0.384289 0.297821 0.302246 0.0511292   0.0751656   0.0265946   111 TYR   A CA   
3295 C C    . TYR   B 99  ? 0.332924 0.260186 0.246071 0.0488064   0.0682077   0.019523    111 TYR   A C    
3296 O O    . TYR   B 99  ? 0.326123 0.251779 0.233591 0.0537513   0.0612208   0.016282    111 TYR   A O    
3297 C CB   . TYR   B 99  ? 0.398106 0.306681 0.302416 0.0659245   0.0740956   0.0372213   111 TYR   A CB   
3298 C CG   . TYR   B 99  ? 0.409604 0.303148 0.318767 0.0686555   0.0792634   0.0489707   111 TYR   A CG   
3299 C CD1  . TYR   B 99  ? 0.420834 0.315292 0.333056 0.0652657   0.0883956   0.0645113   111 TYR   A CD1  
3300 C CD2  . TYR   B 99  ? 0.438001 0.317872 0.351047 0.0753632   0.074737    0.0474969   111 TYR   A CD2  
3301 C CE1  . TYR   B 99  ? 0.431241 0.309802 0.348412 0.0676177   0.0923768   0.0808095   111 TYR   A CE1  
3302 C CE2  . TYR   B 99  ? 0.450698 0.314591 0.369514 0.0802457   0.0775238   0.0617155   111 TYR   A CE2  
3303 C CZ   . TYR   B 99  ? 0.446672 0.307922 0.366554 0.0760244   0.0861379   0.0799648   111 TYR   A CZ   
3304 O OH   . TYR   B 99  ? 0.471316 0.314067 0.399421 0.0789716   0.0888043   0.0986918   111 TYR   A OH   
3305 H H    . TYR   B 99  ? 0.414027 0.340858 0.339296 0.0446394   0.0850845   0.0395163   111 TYR   A H    
3306 H HA   . TYR   B 99  ? 0.384334 0.28967  0.309167 0.0487103   0.0752369   0.0208226   111 TYR   A HA   
3307 H HB2  . TYR   B 99  ? 0.396405 0.314524 0.293799 0.0691691   0.0756445   0.041575    111 TYR   A HB2  
3308 H HB3  . TYR   B 99  ? 0.390914 0.298448 0.289777 0.0714037   0.0674995   0.0323904   111 TYR   A HB3  
3309 H HD1  . TYR   B 99  ? 0.414494 0.321912 0.326599 0.0614283   0.0919539   0.0657834   111 TYR   A HD1  
3310 H HD2  . TYR   B 99  ? 0.420631 0.303071 0.333956 0.0770247   0.0693794   0.0380447   111 TYR   A HD2  
3311 H HE1  . TYR   B 99  ? 0.447915 0.32828  0.368724 0.0634091   0.0992585   0.0937591   111 TYR   A HE1  
3312 H HE2  . TYR   B 99  ? 0.452633 0.308383 0.376422 0.0862866   0.0735312   0.0604084   111 TYR   A HE2  
3314 N N    . ALA   B 100 ? 0.305642 0.246729 0.224221 0.0402369   0.069086    0.0185827   112 ALA   A N    
3315 C CA   . ALA   B 100 ? 0.305167 0.259001 0.221203 0.0371471   0.061568    0.0155638   112 ALA   A CA   
3316 C C    . ALA   B 100 ? 0.300934 0.266404 0.223229 0.0225136   0.0617209   0.00759773  112 ALA   A C    
3317 O O    . ALA   B 100 ? 0.297649 0.259515 0.219736 0.0181166   0.063163    -0.00092601 112 ALA   A O    
3318 C CB   . ALA   B 100 ? 0.288309 0.252937 0.203555 0.0445324   0.0591918   0.0217144   112 ALA   A CB   
3319 H H    . ALA   B 100 ? 0.319151 0.262614 0.244553 0.0358981   0.0738775   0.0212242   112 ALA   A H    
3320 H HA   . ALA   B 100 ? 0.298097 0.246799 0.209243 0.0406049   0.0572471   0.0143735   112 ALA   A HA   
3321 H HB1  . ALA   B 100 ? 0.296048 0.254121 0.204514 0.0544917   0.0572034   0.0230358   112 ALA   A HB1  
3322 H HB2  . ALA   B 100 ? 0.295521 0.266699 0.216711 0.0425864   0.0647819   0.0244165   112 ALA   A HB2  
3323 H HB3  . ALA   B 100 ? 0.28986  0.262752 0.206605 0.0417522   0.0537775   0.0214779   112 ALA   A HB3  
3324 N N    . TYR   B 101 ? 0.292091 0.274934 0.220393 0.0159722   0.059998    0.00860194  113 TYR   A N    
3325 C CA   . TYR   B 101 ? 0.304793 0.303976 0.23505  0.00278237  0.0569278   -0.00033265 113 TYR   A CA   
3326 C C    . TYR   B 101 ? 0.317366 0.320823 0.262928 -0.00875824 0.060766    -0.00849814 113 TYR   A C    
3327 O O    . TYR   B 101 ? 0.313741 0.333975 0.26067  -0.0199865  0.0562139   -0.0191928  113 TYR   A O    
3328 C CB   . TYR   B 101 ? 0.302991 0.322581 0.229644 0.00348231  0.0473279   0.00755859  113 TYR   A CB   
3329 C CG   . TYR   B 101 ? 0.303867 0.316267 0.219148 0.00998473  0.0420777   0.0147384   113 TYR   A CG   
3330 C CD1  . TYR   B 101 ? 0.302211 0.31847  0.208365 0.00325919  0.0421629   0.0110442   113 TYR   A CD1  
3331 C CD2  . TYR   B 101 ? 0.305556 0.308508 0.221685 0.0224638   0.0373706   0.0241593   113 TYR   A CD2  
3332 C CE1  . TYR   B 101 ? 0.313961 0.325588 0.21496  0.00608337  0.0376647   0.0205632   113 TYR   A CE1  
3333 C CE2  . TYR   B 101 ? 0.301213 0.293759 0.212412 0.0262093   0.0308971   0.0302905   113 TYR   A CE2  
3334 C CZ   . TYR   B 101 ? 0.310846 0.307734 0.215959 0.0166676   0.0311327   0.0303684   113 TYR   A CZ   
3335 O OH   . TYR   B 101 ? 0.30565  0.293679 0.211045 0.0177536   0.0248103   0.0392135   113 TYR   A OH   
3336 H H    . TYR   B 101 ? 0.29508  0.28233  0.226429 0.0202936   0.060482    0.0143407   113 TYR   A H    
3337 H HA   . TYR   B 101 ? 0.307958 0.303908 0.232466 0.00090758  0.0573702   -0.00636838 113 TYR   A HA   
3338 H HB2  . TYR   B 101 ? 0.301176 0.324391 0.234586 0.00844924  0.047073    0.0132939   113 TYR   A HB2  
3339 H HB3  . TYR   B 101 ? 0.307854 0.342447 0.234426 -0.00523866 0.0443086   0.00255905  113 TYR   A HB3  
3340 H HD1  . TYR   B 101 ? 0.311455 0.335204 0.216234 -0.00378072 0.0454195   0.00166242  113 TYR   A HD1  
3341 H HD2  . TYR   B 101 ? 0.302289 0.306116 0.22386  0.0283954   0.0386748   0.0255642   113 TYR   A HD2  
3342 H HE1  . TYR   B 101 ? 0.31395  0.332324 0.210179 0.00079335  0.0392746   0.0193424   113 TYR   A HE1  
3343 H HE2  . TYR   B 101 ? 0.306102 0.289858 0.21946  0.0348712   0.0265541   0.0339594   113 TYR   A HE2  
3345 N N    . GLY   B 102 ? 0.328026 0.319008 0.285524 -0.00709441 0.0681013   -0.00249288 114 GLY   A N    
3346 C CA   . GLY   B 102 ? 0.328875 0.315068 0.306147 -0.0201022  0.0722634   -0.00894722 114 GLY   A CA   
3347 C C    . GLY   B 102 ? 0.334797 0.348319 0.328086 -0.0322577  0.0679802   -0.0103303  114 GLY   A C    
3348 O O    . GLY   B 102 ? 0.318471 0.35561  0.310205 -0.027434   0.0636221   -0.0019566  114 GLY   A O    
3349 H H    . GLY   B 102 ? 0.319775 0.305292 0.27338  0.00197406  0.0703331   0.006434    114 GLY   A H    
3350 H HA2  . GLY   B 102 ? 0.337331 0.310467 0.320044 -0.0168361  0.0783468   -0.00030056 114 GLY   A HA2  
3351 H HA3  . GLY   B 102 ? 0.340552 0.318367 0.317467 -0.0244092  0.0715748   -0.0213674  114 GLY   A HA3  
3352 N N    . SER   B 103 ? 0.36057  0.370376 0.373684 -0.0479348  0.0681897   -0.0218088  115 SER   A N    
3353 C CA   . SER   B 103 ? 0.370081 0.408475 0.402833 -0.0624024  0.0618909   -0.0263756  115 SER   A CA   
3354 C C    . SER   B 103 ? 0.374598 0.437902 0.392854 -0.0662098  0.0490911   -0.0414776  115 SER   A C    
3355 O O    . SER   B 103 ? 0.407083 0.502257 0.436512 -0.0737962  0.0404842   -0.041996   115 SER   A O    
3356 C CB   . SER   B 103 ? 0.384248 0.409807 0.447272 -0.0804537  0.0642017   -0.0346337  115 SER   A CB   
3357 O OG   . SER   B 103 ? 0.399927 0.399992 0.458914 -0.0840816  0.0622365   -0.0564949  115 SER   A OG   
3358 H H    . SER   B 103 ? 0.369551 0.358701 0.386195 -0.0496938  0.0713549   -0.0275503  115 SER   A H    
3359 H HA   . SER   B 103 ? 0.35997  0.413359 0.397451 -0.0578821  0.0636724   -0.0130077  115 SER   A HA   
3360 H HB2  . SER   B 103 ? 0.388735 0.436343 0.466174 -0.0910619  0.0584939   -0.0390729  115 SER   A HB2  
3361 H HB3  . SER   B 103 ? 0.388248 0.402153 0.4611   -0.0789304  0.0724429   -0.020393   115 SER   A HB3  
3363 N N    . ALA   B 104 ? 0.339254 0.393283 0.334133 -0.0616035  0.047655    -0.0528298  116 ALA   A N    
3364 C CA   . ALA   B 104 ? 0.342988 0.426109 0.320156 -0.0651486  0.0366881   -0.062459   116 ALA   A CA   
3365 C C    . ALA   B 104 ? 0.329269 0.430117 0.294702 -0.053535   0.0316721   -0.0404347  116 ALA   A C    
3366 O O    . ALA   B 104 ? 0.343233 0.475209 0.302334 -0.0566531  0.0199782   -0.038971   116 ALA   A O    
3367 C CB   . ALA   B 104 ? 0.356238 0.430653 0.312809 -0.0637954  0.0391313   -0.079918   116 ALA   A CB   
3368 H H    . ALA   B 104 ? 0.348613 0.381237 0.338872 -0.0562842  0.05353     -0.0536317  116 ALA   A H    
3369 H HA   . ALA   B 104 ? 0.354445 0.453721 0.343095 -0.0760505  0.0304402   -0.0718207  116 ALA   A HA   
3370 H HB1  . ALA   B 104 ? 0.369287 0.4307   0.336248 -0.0696559  0.0415776   -0.0956823  116 ALA   A HB1  
3371 H HB2  . ALA   B 104 ? 0.346117 0.406654 0.294546 -0.0541257  0.0446625   -0.0708161  116 ALA   A HB2  
3372 H HB3  . ALA   B 104 ? 0.36117  0.458571 0.303429 -0.0664764  0.032595    -0.0845144  116 ALA   A HB3  
3373 N N    . GLY   B 105 ? 0.286595 0.367273 0.249669 -0.0395712  0.0389041   -0.0242223  117 GLY   A N    
3374 C CA   . GLY   B 105 ? 0.28271  0.371564 0.234758 -0.0271561  0.0332473   -0.00739332 117 GLY   A CA   
3375 C C    . GLY   B 105 ? 0.296118 0.391318 0.22463  -0.0277099  0.0274776   -0.00768383 117 GLY   A C    
3376 O O    . GLY   B 105 ? 0.303265 0.391534 0.221729 -0.0328702  0.0323756   -0.0208186  117 GLY   A O    
3377 H H    . GLY   B 105 ? 0.294353 0.355641 0.262884 -0.0376018  0.0464079   -0.0240775  117 GLY   A H    
3378 H HA2  . GLY   B 105 ? 0.275797 0.348116 0.227898 -0.0178232  0.0385769   -8.046e-05  117 GLY   A HA2  
3379 H HA3  . GLY   B 105 ? 0.28234  0.390333 0.243773 -0.0273831  0.027576    -0.0023158  117 GLY   A HA3  
3380 N N    . SER   B 106 ? 0.314774 0.423335 0.236608 -0.0214195  0.0177687   0.00846943  118 SER   A N    
3381 C CA   . SER   B 106 ? 0.314587 0.433809 0.215692 -0.0232442  0.0116011   0.0163704   118 SER   A CA   
3382 C C    . SER   B 106 ? 0.311597 0.453442 0.214811 -0.0197558  -0.00282505 0.0335302   118 SER   A C    
3383 O O    . SER   B 106 ? 0.327573 0.457519 0.23402  -0.0088402  -0.0076852  0.0511597   118 SER   A O    
3384 C CB   . SER   B 106 ? 0.309953 0.404521 0.20358  -0.0156978  0.016082    0.0265294   118 SER   A CB   
3385 O OG   . SER   B 106 ? 0.316848 0.425845 0.192268 -0.0219902  0.0136273   0.0339051   118 SER   A OG   
3386 H H    . SER   B 106 ? 0.303353 0.414882 0.235599 -0.0153578  0.0150086   0.016314    118 SER   A H    
3387 H HA   . SER   B 106 ? 0.323663 0.454629 0.215557 -0.0319791  0.0127956   0.0046934   118 SER   A HA   
3388 H HB2  . SER   B 106 ? 0.302722 0.381733 0.198744 -0.0149545  0.0244136   0.0172371   118 SER   A HB2  
3389 H HB3  . SER   B 106 ? 0.304296 0.389404 0.204973 -0.00711793 0.0122677   0.0373701   118 SER   A HB3  
3391 N N    . LEU   B 107 ? 0.321124 0.493896 0.226944 -0.0279023  -0.0109118  0.0270975   119 LEU   A N    
3392 C CA   . LEU   B 107 ? 0.332675 0.531285 0.244098 -0.0231895  -0.0266608  0.0439208   119 LEU   A CA   
3393 C C    . LEU   B 107 ? 0.346085 0.561876 0.232561 -0.0258208  -0.0366901  0.0606054   119 LEU   A C    
3394 O O    . LEU   B 107 ? 0.361392 0.587607 0.224595 -0.0363588  -0.0323827  0.0513995   119 LEU   A O    
3395 C CB   . LEU   B 107 ? 0.339258 0.569131 0.264657 -0.0330454  -0.0327188  0.0289799   119 LEU   A CB   
3396 C CG   . LEU   B 107 ? 0.33825  0.556587 0.292868 -0.0326642  -0.022691   0.0184698   119 LEU   A CG   
3397 C CD1  . LEU   B 107 ? 0.352026 0.596016 0.319122 -0.0496291  -0.0269266  -0.00146335 119 LEU   A CD1  
3398 C CD2  . LEU   B 107 ? 0.329102 0.550608 0.308119 -0.0167571  -0.0248372  0.0341987   119 LEU   A CD2  
3399 H H    . LEU   B 107 ? 0.325438 0.503803 0.230845 -0.0363855  -0.00770271 0.0114093   119 LEU   A H    
3400 H HA   . LEU   B 107 ? 0.323044 0.509282 0.247852 -0.0121367  -0.0270438  0.0536388   119 LEU   A HA   
3401 H HB2  . LEU   B 107 ? 0.351973 0.590774 0.264086 -0.0435764  -0.032047   0.0154065   119 LEU   A HB2  
3402 H HB3  . LEU   B 107 ? 0.348819 0.600903 0.278449 -0.029962   -0.0447388  0.0397379   119 LEU   A HB3  
3403 H HG   . LEU   B 107 ? 0.329573 0.521904 0.28006  -0.0321243  -0.0114189  0.013157    119 LEU   A HG   
3404 H HD11 . LEU   B 107 ? 0.360119 0.601011 0.311757 -0.0579623  -0.0253659  -0.014507   119 LEU   A HD11 
3405 H HD12 . LEU   B 107 ? 0.342851 0.57892  0.329736 -0.0515487  -0.0195466  -0.00608484 119 LEU   A HD12 
3406 H HD13 . LEU   B 107 ? 0.357529 0.630035 0.329686 -0.0503555  -0.0390754  0.00310754  119 LEU   A HD13 
3407 H HD21 . LEU   B 107 ? 0.323786 0.522051 0.297628 -0.0065927  -0.0199256  0.0414674   119 LEU   A HD21 
3408 H HD22 . LEU   B 107 ? 0.336177 0.579758 0.318056 -0.0136853  -0.0369452  0.0430347   119 LEU   A HD22 
3409 H HD23 . LEU   B 107 ? 0.322827 0.54896  0.320678 -0.0195195  -0.0192557  0.0277838   119 LEU   A HD23 
3410 N N    . PRO   B 108 ? 0.348485 0.572757 0.240829 -0.016134   -0.0509914  0.0856045   120 PRO   A N    
3411 C CA   . PRO   B 108 ? 0.338152 0.559491 0.261071 -0.00206041 -0.0564811  0.0909747   120 PRO   A CA   
3412 C C    . PRO   B 108 ? 0.322182 0.502703 0.259211 0.0129693   -0.0482368  0.0948842   120 PRO   A C    
3413 O O    . PRO   B 108 ? 0.31451  0.496662 0.275734 0.0260165   -0.0504627  0.0955686   120 PRO   A O    
3414 C CB   . PRO   B 108 ? 0.355285 0.606455 0.27834  0.00262247  -0.0771878  0.11377     120 PRO   A CB   
3415 C CG   . PRO   B 108 ? 0.377957 0.620989 0.272314 -0.00268871 -0.0787204  0.132389    120 PRO   A CG   
3416 C CD   . PRO   B 108 ? 0.372407 0.61294  0.244468 -0.0176361  -0.0627319  0.110489    120 PRO   A CD   
3417 H HA   . PRO   B 108 ? 0.329562 0.56319  0.263554 -0.00626451 -0.0537698  0.0765351   120 PRO   A HA   
3418 H HB2  . PRO   B 108 ? 0.355853 0.600266 0.298185 0.0158052   -0.0824552  0.123575    120 PRO   A HB2  
3419 H HB3  . PRO   B 108 ? 0.362682 0.644175 0.284623 -0.00458829 -0.0833337  0.10653     120 PRO   A HB3  
3420 H HG2  . PRO   B 108 ? 0.376917 0.592847 0.278212 0.00562131  -0.0779785  0.14454     120 PRO   A HG2  
3421 H HG3  . PRO   B 108 ? 0.396495 0.664382 0.281425 -0.00468233 -0.0907318  0.146       120 PRO   A HG3  
3422 H HD2  . PRO   B 108 ? 0.374136 0.59625  0.2374   -0.0182081  -0.0567849  0.118068    120 PRO   A HD2  
3423 H HD3  . PRO   B 108 ? 0.385377 0.654128 0.241348 -0.0268139  -0.0663711  0.104971    120 PRO   A HD3  
3424 N N    . LYS   B 109 ? 0.33212  0.481134 0.255782 0.0118721   -0.0395926  0.0960152   121 LYS   A N    
3425 C CA   . LYS   B 109 ? 0.349171 0.461078 0.284218 0.0261578   -0.0360652  0.0991576   121 LYS   A CA   
3426 C C    . LYS   B 109 ? 0.333093 0.43874  0.28116  0.0318346   -0.0235347  0.0800848   121 LYS   A C    
3427 O O    . LYS   B 109 ? 0.325199 0.427846 0.291418 0.0473063   -0.0251607  0.080814    121 LYS   A O    
3428 C CB   . LYS   B 109 ? 0.336473 0.418401 0.259358 0.0228535   -0.0317142  0.104387    121 LYS   A CB   
3429 H H    . LYS   B 109 ? 0.337731 0.49051  0.245242 0.0019848   -0.0361612  0.0934169   121 LYS   A H    
3430 H HA   . LYS   B 109 ? 0.350799 0.462406 0.297198 0.0363113   -0.0459857  0.110966    121 LYS   A HA   
3433 N N    . ILE   B 110 ? 0.32759  0.433089 0.267079 0.0198994   -0.0110843  0.0641699   122 ILE   A N    
3434 C CA   . ILE   B 110 ? 0.325785 0.42226  0.27546  0.0233585   0.00167105  0.0513988   122 ILE   A CA   
3435 C C    . ILE   B 110 ? 0.334639 0.458375 0.296419 0.0120884   0.00435882  0.0418241   122 ILE   A C    
3436 O O    . ILE   B 110 ? 0.33991  0.472538 0.293107 -0.00323483 0.00467796  0.0321286   122 ILE   A O    
3437 C CB   . ILE   B 110 ? 0.353481 0.42277  0.290508 0.0200724   0.0130806   0.0427396   122 ILE   A CB   
3438 C CG1  . ILE   B 110 ? 0.369471 0.415747 0.295739 0.0249189   0.00909476  0.0506064   122 ILE   A CG1  
3439 C CG2  . ILE   B 110 ? 0.374019 0.432778 0.320031 0.0273721   0.0245807   0.0362986   122 ILE   A CG2  
3440 C CD1  . ILE   B 110 ? 0.364766 0.394098 0.300204 0.0422738   0.00289254  0.0572359   122 ILE   A CD1  
3441 H H    . ILE   B 110 ? 0.33208  0.443445 0.259222 0.00975617  -0.0105353  0.0619657   122 ILE   A H    
3442 H HA   . ILE   B 110 ? 0.330767 0.422234 0.28993  0.0356813   0.00084033  0.0549065   122 ILE   A HA   
3443 H HB   . ILE   B 110 ? 0.354141 0.429947 0.285317 0.00904424  0.0157163   0.0359134   122 ILE   A HB   
3444 H HG12 . ILE   B 110 ? 0.371631 0.427126 0.291582 0.0186468   0.00330506  0.0572927   122 ILE   A HG12 
3445 H HG13 . ILE   B 110 ? 0.360433 0.394444 0.280945 0.0223854   0.0159789   0.0441769   122 ILE   A HG13 
3446 H HG21 . ILE   B 110 ? 0.363029 0.403445 0.301155 0.0287507   0.0293207   0.0334516   122 ILE   A HG21 
3447 H HG22 . ILE   B 110 ? 0.365202 0.425842 0.318545 0.0384188   0.0225687   0.0403731   122 ILE   A HG22 
3448 H HG23 . ILE   B 110 ? 0.363486 0.433408 0.316398 0.0197188   0.0289604   0.0313268   122 ILE   A HG23 
3449 H HD11 . ILE   B 110 ? 0.362306 0.38507  0.300655 0.0491279   0.00927884  0.0501938   122 ILE   A HD11 
3450 H HD12 . ILE   B 110 ? 0.371652 0.385893 0.302753 0.0424224   -0.00077343 0.0617421   122 ILE   A HD12 
3451 H HD13 . ILE   B 110 ? 0.372313 0.413237 0.315991 0.0466677   -0.00422975 0.063659    122 ILE   A HD13 
3452 N N    . PRO   B 111 ? 0.320204 0.456983 0.304052 0.0187657   0.00824411  0.0416743   123 PRO   A N    
3453 C CA   . PRO   B 111 ? 0.327436 0.487433 0.329187 0.00554884  0.0124439   0.0333494   123 PRO   A CA   
3454 C C    . PRO   B 111 ? 0.331605 0.470482 0.331092 -0.00504882 0.026482    0.0231077   123 PRO   A C    
3455 O O    . PRO   B 111 ? 0.355794 0.464958 0.34207  0.00165559  0.0349637   0.0235502   123 PRO   A O    
3456 C CB   . PRO   B 111 ? 0.310295 0.490757 0.338205 0.0178369   0.0161177   0.0393764   123 PRO   A CB   
3457 C CG   . PRO   B 111 ? 0.309647 0.477725 0.331928 0.0399047   0.0106588   0.0481248   123 PRO   A CG   
3458 C CD   . PRO   B 111 ? 0.316879 0.447687 0.311393 0.0389734   0.0105829   0.0475896   123 PRO   A CD   
3459 H HA   . PRO   B 111 ? 0.329808 0.508193 0.331699 -0.00319578 0.0037422   0.0311624   123 PRO   A HA   
3460 H HB2  . PRO   B 111 ? 0.309531 0.483964 0.342631 0.0166732   0.0277361   0.0371657   123 PRO   A HB2  
3461 H HB3  . PRO   B 111 ? 0.314526 0.522742 0.35828  0.0127924   0.00992886  0.0395751   123 PRO   A HB3  
3462 H HG2  . PRO   B 111 ? 0.309797 0.478374 0.340462 0.0507111   0.0181588   0.0481001   123 PRO   A HG2  
3463 H HG3  . PRO   B 111 ? 0.316536 0.500555 0.345689 0.0436973   -0.00063398 0.0538304   123 PRO   A HG3  
3464 H HD2  . PRO   B 111 ? 0.312233 0.425791 0.301558 0.0423068   0.0199788   0.0439591   123 PRO   A HD2  
3465 H HD3  . PRO   B 111 ? 0.321404 0.444943 0.312183 0.0476085   0.00218004  0.0542722   123 PRO   A HD3  
3466 N N    . SER   B 112 ? 0.33216  0.487673 0.348027 -0.0217861  0.0268176   0.0141308   124 SER   A N    
3467 C CA   . SER   B 112 ? 0.363985 0.499789 0.386703 -0.0333385  0.0383338   0.00591888  124 SER   A CA   
3468 C C    . SER   B 112 ? 0.3602   0.485269 0.39114  -0.0229412  0.0526547   0.0179155   124 SER   A C    
3469 O O    . SER   B 112 ? 0.344114 0.492197 0.388719 -0.0137328  0.0545391   0.0272472   124 SER   A O    
3470 C CB   . SER   B 112 ? 0.385135 0.544077 0.430636 -0.0535562  0.0325578   -0.00565957 124 SER   A CB   
3471 O OG   . SER   B 112 ? 0.445089 0.583183 0.505834 -0.0664139  0.0424396   -0.0120388  124 SER   A OG   
3472 H H    . SER   B 112 ? 0.342731 0.522307 0.367578 -0.026396   0.0184515   0.0132718   124 SER   A H    
3473 H HA   . SER   B 112 ? 0.362953 0.478532 0.369354 -0.034128   0.0393562   -6.829e-05  124 SER   A HA   
3474 H HB2  . SER   B 112 ? 0.39975  0.564904 0.434027 -0.0586379  0.0236351   -0.0149081  124 SER   A HB2  
3475 H HB3  . SER   B 112 ? 0.390324 0.574593 0.45295  -0.0528536  0.0297373   0.00036823  124 SER   A HB3  
3477 N N    . ASN   B 113 ? 0.381173 0.473806 0.401938 -0.0220073  0.0626163   0.0178865   125 ASN   A N    
3478 C CA   . ASN   B 113 ? 0.38103  0.465955 0.405902 -0.0143264  0.0763635   0.0303534   125 ASN   A CA   
3479 C C    . ASN   B 113 ? 0.348417 0.44537  0.364143 0.00704088  0.0773302   0.0385953   125 ASN   A C    
3480 O O    . ASN   B 113 ? 0.317628 0.4331   0.344766 0.0127823   0.0875446   0.0478836   125 ASN   A O    
3481 C CB   . ASN   B 113 ? 0.420084 0.523458 0.476251 -0.0289277  0.0846399   0.0367905   125 ASN   A CB   
3482 C CG   . ASN   B 113 ? 0.433771 0.523726 0.506687 -0.0514242  0.0820508   0.0259813   125 ASN   A CG   
3483 O OD1  . ASN   B 113 ? 0.442449 0.556669 0.543889 -0.0677232  0.0786413   0.0226602   125 ASN   A OD1  
3484 N ND2  . ASN   B 113 ? 0.443526 0.496236 0.503727 -0.0523121  0.0835147   0.0196385   125 ASN   A ND2  
3485 H H    . ASN   B 113 ? 0.379091 0.455895 0.389521 -0.0256488  0.0606878   0.0102827   125 ASN   A H    
3486 H HA   . ASN   B 113 ? 0.385816 0.446245 0.399928 -0.01305    0.080062    0.0297699   125 ASN   A HA   
3487 H HB2  . ASN   B 113 ? 0.407233 0.538704 0.476293 -0.0286703  0.0816439   0.0381909   125 ASN   A HB2  
3488 H HB3  . ASN   B 113 ? 0.416154 0.514568 0.471344 -0.0237113  0.0948194   0.0473062   125 ASN   A HB3  
3489 H HD21 . ASN   B 113 ? 0.454722 0.494833 0.528492 -0.0630793  0.0856931   0.0172693   125 ASN   A HD21 
3490 H HD22 . ASN   B 113 ? 0.435825 0.476391 0.476272 -0.0420576  0.082108    0.017794    125 ASN   A HD22 
3491 N N    . ALA   B 114 ? 0.302729 0.389932 0.299777 0.018023    0.0669169   0.0346209   126 ALA   A N    
3492 C CA   . ALA   B 114 ? 0.281279 0.36782  0.268643 0.0392078   0.0652163   0.0380796   126 ALA   A CA   
3493 C C    . ALA   B 114 ? 0.275127 0.336756 0.243503 0.0493243   0.0731961   0.0392533   126 ALA   A C    
3494 O O    . ALA   B 114 ? 0.277172 0.315108 0.234987 0.0421872   0.0738672   0.0369326   126 ALA   A O    
3495 C CB   . ALA   B 114 ? 0.276147 0.355941 0.254241 0.0431058   0.0501106   0.0358596   126 ALA   A CB   
3496 H H    . ALA   B 114 ? 0.306524 0.386851 0.297529 0.0115582   0.0606186   0.0291823   126 ALA   A H    
3497 H HA   . ALA   B 114 ? 0.283347 0.391968 0.284038 0.0444236   0.0681631   0.0413105   126 ALA   A HA   
3498 H HB1  . ALA   B 114 ? 0.276811 0.374311 0.264798 0.0368025   0.044171    0.0363257   126 ALA   A HB1  
3499 H HB2  . ALA   B 114 ? 0.276573 0.338553 0.242554 0.0380777   0.0486945   0.0330908   126 ALA   A HB2  
3500 H HB3  . ALA   B 114 ? 0.279267 0.355948 0.254624 0.0569445   0.0474322   0.0372005   126 ALA   A HB3  
3501 N N    . THR   B 115 ? 0.268273 0.339303 0.233155 0.0669492   0.0787984   0.041532    127 THR   A N    
3502 C CA   . THR   B 115 ? 0.268401 0.321132 0.210965 0.0813435   0.0817624   0.0399241   127 THR   A CA   
3503 C C    . THR   B 115 ? 0.266914 0.304967 0.200586 0.0951447   0.0679114   0.0309614   127 THR   A C    
3504 O O    . THR   B 115 ? 0.275011 0.326172 0.221116 0.10237     0.0617247   0.0290426   127 THR   A O    
3505 C CB   . THR   B 115 ? 0.282679 0.359895 0.225103 0.0925339   0.0960046   0.045365    127 THR   A CB   
3506 O OG1  . THR   B 115 ? 0.288813 0.372706 0.242472 0.0752352   0.107398    0.0574126   127 THR   A OG1  
3507 C CG2  . THR   B 115 ? 0.295638 0.36231  0.211064 0.110116    0.0983165   0.0418939   127 THR   A CG2  
3508 H H    . THR   B 115 ? 0.269807 0.362584 0.247174 0.0707014   0.0804763   0.0429703   127 THR   A H    
3509 H HA   . THR   B 115 ? 0.270999 0.307062 0.206023 0.0744828   0.0830699   0.0413467   127 THR   A HA   
3510 H HB   . THR   B 115 ? 0.282312 0.380293 0.236666 0.0989166   0.0960386   0.0434561   127 THR   A HB   
3512 H HG21 . THR   B 115 ? 0.306579 0.394305 0.22083  0.117048    0.108548    0.0457481   127 THR   A HG21 
3513 H HG22 . THR   B 115 ? 0.298314 0.347915 0.204119 0.104289    0.0985101   0.0455802   127 THR   A HG22 
3514 H HG23 . THR   B 115 ? 0.297425 0.354856 0.207109 0.120441    0.0889142   0.0319785   127 THR   A HG23 
3515 N N    . LEU   B 116 ? 0.284598 0.29564  0.201084 0.0981031   0.0618923   0.0264153   128 LEU   A N    
3516 C CA   . LEU   B 116 ? 0.314432 0.307542 0.227158 0.107302    0.0474985   0.0189495   128 LEU   A CA   
3517 C C    . LEU   B 116 ? 0.353499 0.335904 0.249676 0.124681    0.0458213   0.00914482  128 LEU   A C    
3518 O O    . LEU   B 116 ? 0.34028  0.323261 0.221439 0.126578    0.0535451   0.0102858   128 LEU   A O    
3519 C CB   . LEU   B 116 ? 0.314201 0.288142 0.225904 0.0936509   0.0384394   0.0206138   128 LEU   A CB   
3520 C CG   . LEU   B 116 ? 0.320701 0.304962 0.240873 0.0751951   0.0399041   0.0266668   128 LEU   A CG   
3521 C CD1  . LEU   B 116 ? 0.349911 0.320583 0.26693  0.0669708   0.0308787   0.0277874   128 LEU   A CD1  
3522 C CD2  . LEU   B 116 ? 0.338164 0.345133 0.272777 0.0728725   0.0375971   0.0309741   128 LEU   A CD2  
3523 H H    . LEU   B 116 ? 0.286734 0.290194 0.195931 0.0938047   0.0663519   0.0286309   128 LEU   A H    
3524 H HA   . LEU   B 116 ? 0.315868 0.318175 0.239151 0.112349    0.0436752   0.0186359   128 LEU   A HA   
3525 H HB2  . LEU   B 116 ? 0.317527 0.280867 0.220128 0.0928882   0.0400007   0.0187112   128 LEU   A HB2  
3526 H HB3  . LEU   B 116 ? 0.322103 0.286845 0.236226 0.0983966   0.0288431   0.0186767   128 LEU   A HB3  
3527 H HG   . LEU   B 116 ? 0.323335 0.308985 0.241791 0.0689193   0.0477858   0.0268718   128 LEU   A HG   
3528 H HD11 . LEU   B 116 ? 0.340337 0.29887  0.25102  0.068038    0.031567    0.024738    128 LEU   A HD11 
3529 H HD12 . LEU   B 116 ? 0.335005 0.313855 0.253702 0.0558683   0.0324344   0.0295662   128 LEU   A HD12 
3530 H HD13 . LEU   B 116 ? 0.345051 0.312314 0.265718 0.0716136   0.0225718   0.03003     128 LEU   A HD13 
3531 H HD21 . LEU   B 116 ? 0.331706 0.351794 0.27171  0.0771706   0.0443379   0.0309456   128 LEU   A HD21 
3532 H HD22 . LEU   B 116 ? 0.336865 0.340851 0.274638 0.0795743   0.0290495   0.0322747   128 LEU   A HD22 
3533 H HD23 . LEU   B 116 ? 0.327278 0.3404   0.263925 0.060547    0.0373829   0.0325666   128 LEU   A HD23 
3534 N N    . PHE   B 117 ? 0.38148  0.353233 0.281447 0.1376      0.0336494   -0.00064945 129 PHE   A N    
3535 C CA   . PHE   B 117 ? 0.411492 0.370249 0.297458 0.153884    0.027258    -0.0156827  129 PHE   A CA   
3536 C C    . PHE   B 117 ? 0.412512 0.340999 0.30579  0.149326    0.00923529  -0.0200264  129 PHE   A C    
3537 O O    . PHE   B 117 ? 0.435506 0.357977 0.346227 0.144174    0.00179289  -0.0133932  129 PHE   A O    
3538 C CB   . PHE   B 117 ? 0.426804 0.401825 0.315256 0.176041    0.0298552   -0.0276409  129 PHE   A CB   
3539 C CG   . PHE   B 117 ? 0.483843 0.44413  0.357799 0.194261    0.0202287   -0.0492243  129 PHE   A CG   
3540 C CD1  . PHE   B 117 ? 0.50642  0.480525 0.353327 0.203652    0.0283388   -0.0561555  129 PHE   A CD1  
3541 C CD2  . PHE   B 117 ? 0.512124 0.444443 0.399644 0.201288    0.0017195   -0.0621733  129 PHE   A CD2  
3542 C CE1  . PHE   B 117 ? 0.532454 0.496722 0.363315 0.220816    0.0176906   -0.0796858  129 PHE   A CE1  
3543 C CE2  . PHE   B 117 ? 0.579874 0.497767 0.45617  0.217855    -0.0089987  -0.0867968  129 PHE   A CE2  
3544 C CZ   . PHE   B 117 ? 0.562993 0.498264 0.409334 0.227614    -0.00147394 -0.0973615  129 PHE   A CZ   
3545 H H    . PHE   B 117 ? 0.376731 0.348783 0.289124 0.136247    0.02816     0.0017193   129 PHE   A H    
3546 H HA   . PHE   B 117 ? 0.40913  0.369886 0.280835 0.153171    0.0326686   -0.0151514  129 PHE   A HA   
3547 H HB2  . PHE   B 117 ? 0.432094 0.430104 0.316313 0.177642    0.042908    -0.02309    129 PHE   A HB2  
3548 H HB3  . PHE   B 117 ? 0.432434 0.406744 0.337643 0.17723     0.0246156   -0.0262354  129 PHE   A HB3  
3549 H HD1  . PHE   B 117 ? 0.496083 0.486988 0.335409 0.198216    0.0405903   -0.0445643  129 PHE   A HD1  
3550 H HD2  . PHE   B 117 ? 0.510532 0.434093 0.415528 0.19533     -0.00413271 -0.0546011  129 PHE   A HD2  
3551 H HE1  . PHE   B 117 ? 0.549028 0.526138 0.358678 0.227466    0.0228076   -0.0834663  129 PHE   A HE1  
3552 H HE2  . PHE   B 117 ? 0.576691 0.472324 0.465588 0.221587    -0.0225221  -0.0958946  129 PHE   A HE2  
3553 H HZ   . PHE   B 117 ? 0.588905 0.516166 0.425908 0.238717    -0.0100728  -0.116009   129 PHE   A HZ   
3554 N N    . PHE   B 118 ? 0.426909 0.339448 0.308524 0.150302    0.00197241  -0.0288517  130 PHE   A N    
3555 C CA   . PHE   B 118 ? 0.414264 0.299382 0.306682 0.146259    -0.0159346  -0.0347775  130 PHE   A CA   
3556 C C    . PHE   B 118 ? 0.450668 0.32439  0.332274 0.161923    -0.0267041  -0.0572647  130 PHE   A C    
3557 O O    . PHE   B 118 ? 0.452481 0.339274 0.311622 0.170027    -0.0211276  -0.0643736  130 PHE   A O    
3558 C CB   . PHE   B 118 ? 0.397161 0.278772 0.291499 0.126024    -0.0154914  -0.0230035  130 PHE   A CB   
3559 C CG   . PHE   B 118 ? 0.367987 0.257806 0.273166 0.10858     -0.00922124 -0.00498409 130 PHE   A CG   
3560 C CD1  . PHE   B 118 ? 0.380333 0.259692 0.301876 0.0982776   -0.0188749  0.00441451  130 PHE   A CD1  
3561 C CD2  . PHE   B 118 ? 0.327824 0.236238 0.226494 0.101898    0.00550873  0.00268644  130 PHE   A CD2  
3562 C CE1  . PHE   B 118 ? 0.370044 0.262755 0.295573 0.0828614   -0.0132673  0.019892    130 PHE   A CE1  
3563 C CE2  . PHE   B 118 ? 0.32195  0.239875 0.228084 0.086687    0.00970903  0.014017    130 PHE   A CE2  
3564 C CZ   . PHE   B 118 ? 0.330201 0.242885 0.24697  0.0776234   0.00068572  0.022028    130 PHE   A CZ   
3565 H H    . PHE   B 118 ? 0.421914 0.342023 0.289679 0.152995    0.00793123  -0.030243   130 PHE   A H    
3566 H HA   . PHE   B 118 ? 0.424007 0.30208  0.330919 0.145949    -0.0215387  -0.0316235  130 PHE   A HA   
3567 H HB2  . PHE   B 118 ? 0.391471 0.281548 0.273308 0.127272    -0.00887509 -0.0237489  130 PHE   A HB2  
3568 H HB3  . PHE   B 118 ? 0.403964 0.27068  0.304843 0.123361    -0.0266382  -0.0276538  130 PHE   A HB3  
3569 H HD1  . PHE   B 118 ? 0.392829 0.256246 0.322388 0.101145    -0.0297216  0.00052705  130 PHE   A HD1  
3570 H HD2  . PHE   B 118 ? 0.336399 0.251294 0.225429 0.107654    0.0123313   -8.22e-05   130 PHE   A HD2  
3571 H HE1  . PHE   B 118 ? 0.367992 0.256059 0.302294 0.0760118   -0.0195972  0.0286311   130 PHE   A HE1  
3572 H HE2  . PHE   B 118 ? 0.313562 0.242009 0.216874 0.082064    0.0185857   0.016422    130 PHE   A HE2  
3573 H HZ   . PHE   B 118 ? 0.327003 0.249731 0.24541  0.0679859   0.00352864  0.0292373   130 PHE   A HZ   
3574 N N    . GLU   B 119 ? 0.471238 0.319022 0.369558 0.164714    -0.0442326  -0.0678534  131 GLU   A N    
3575 C CA   . GLU   B 119 ? 0.496617 0.326966 0.391354 0.170549    -0.0601885  -0.0891943  131 GLU   A CA   
3576 C C    . GLU   B 119 ? 0.491933 0.304913 0.405118 0.148343    -0.0716294  -0.0791843  131 GLU   A C    
3577 O O    . GLU   B 119 ? 0.46901  0.271655 0.403828 0.133575    -0.0738039  -0.0614076  131 GLU   A O    
3578 C CB   . GLU   B 119 ? 0.524919 0.337972 0.429229 0.190368    -0.0718457  -0.111577   131 GLU   A CB   
3579 C CG   . GLU   B 119 ? 0.557825 0.350377 0.460261 0.198238    -0.0915633  -0.140737   131 GLU   A CG   
3580 C CD   . GLU   B 119 ? 0.592245 0.366803 0.504406 0.221175    -0.102421   -0.16797    131 GLU   A CD   
3581 O OE1  . GLU   B 119 ? 0.607152 0.403936 0.498327 0.244663    -0.0929172  -0.186137   131 GLU   A OE1  
3582 O OE2  . GLU   B 119 ? 0.617302 0.35612  0.561157 0.215569    -0.119384   -0.168751   131 GLU   A OE2  
3583 H H    . GLU   B 119 ? 0.471035 0.311265 0.384691 0.162637    -0.0474362  -0.0615343  131 GLU   A H    
3584 H HA   . GLU   B 119 ? 0.498009 0.3429   0.372407 0.176801    -0.0549643  -0.0954392  131 GLU   A HA   
3585 H HB2  . GLU   B 119 ? 0.527958 0.359025 0.420626 0.204267    -0.0616586  -0.116599   131 GLU   A HB2  
3586 H HB3  . GLU   B 119 ? 0.525675 0.323899 0.450973 0.185069    -0.0770804  -0.102583   131 GLU   A HB3  
3587 H HG2  . GLU   B 119 ? 0.556341 0.331326 0.475106 0.183389    -0.102271   -0.13524    131 GLU   A HG2  
3588 H HG3  . GLU   B 119 ? 0.558032 0.3674   0.437771 0.203248    -0.0875117  -0.148255   131 GLU   A HG3  
3589 N N    . ILE   B 120 ? 0.498914 0.31409  0.403371 0.145857    -0.0783024  -0.0887854  132 ILE   A N    
3590 C CA   . ILE   B 120 ? 0.509431 0.317734 0.4336   0.124781    -0.0863943  -0.0787764  132 ILE   A CA   
3591 C C    . ILE   B 120 ? 0.554739 0.349761 0.484891 0.127079    -0.107586   -0.101685   132 ILE   A C    
3592 O O    . ILE   B 120 ? 0.567447 0.373286 0.473358 0.14257     -0.110693   -0.120658   132 ILE   A O    
3593 C CB   . ILE   B 120 ? 0.481832 0.315082 0.395362 0.115554    -0.0708089  -0.0622145  132 ILE   A CB   
3594 C CG1  . ILE   B 120 ? 0.467123 0.312202 0.377282 0.111455    -0.052286   -0.0433408  132 ILE   A CG1  
3595 C CG2  . ILE   B 120 ? 0.465736 0.300018 0.400812 0.0964103   -0.0772879  -0.0542621  132 ILE   A CG2  
3596 C CD1  . ILE   B 120 ? 0.455624 0.32138  0.354115 0.106695    -0.0367193  -0.032281   132 ILE   A CD1  
3597 H H    . ILE   B 120 ? 0.513317 0.337241 0.399775 0.15765     -0.0778196  -0.101242   132 ILE   A H    
3598 H HA   . ILE   B 120 ? 0.506614 0.303823 0.44928  0.115041    -0.0886342  -0.0679609  132 ILE   A HA   
3599 H HB   . ILE   B 120 ? 0.485812 0.32925  0.380887 0.125822    -0.0686264  -0.0699136  132 ILE   A HB   
3600 H HG12 . ILE   B 120 ? 0.463427 0.302069 0.3894   0.100572    -0.0542786  -0.0336028  132 ILE   A HG12 
3601 H HG13 . ILE   B 120 ? 0.473662 0.319694 0.37534  0.122923    -0.0490429  -0.0481481  132 ILE   A HG13 
3602 H HG21 . ILE   B 120 ? 0.450729 0.300328 0.380393 0.0928601   -0.0669982  -0.0454841  132 ILE   A HG21 
3603 H HG22 . ILE   B 120 ? 0.467307 0.292862 0.420072 0.085494    -0.0795421  -0.0452215  132 ILE   A HG22 
3604 H HG23 . ILE   B 120 ? 0.48318  0.313243 0.421119 0.0986965   -0.089648   -0.066913   132 ILE   A HG23 
3605 H HD11 . ILE   B 120 ? 0.458889 0.330017 0.34347  0.115866    -0.0367168  -0.0390871  132 ILE   A HD11 
3606 H HD12 . ILE   B 120 ? 0.442005 0.314755 0.336796 0.106318    -0.0262268  -0.0246099  132 ILE   A HD12 
3607 H HD13 . ILE   B 120 ? 0.443132 0.31058  0.352954 0.0950673   -0.0375353  -0.0260562  132 ILE   A HD13 
3608 N N    . GLU   B 121 ? 0.559045 0.332775 0.522128 0.110326    -0.122353   -0.0982264  133 GLU   A N    
3609 C CA   . GLU   B 121 ? 0.593903 0.358192 0.572554 0.104071    -0.143371   -0.115547   133 GLU   A CA   
3610 C C    . GLU   B 121 ? 0.561065 0.342204 0.559403 0.0810922   -0.140605   -0.0958612  133 GLU   A C    
3611 O O    . GLU   B 121 ? 0.549484 0.330933 0.567086 0.0637453   -0.132191   -0.0710927  133 GLU   A O    
3612 C CB   . GLU   B 121 ? 0.648413 0.373792 0.65743  0.101107    -0.164188   -0.127816   133 GLU   A CB   
3613 C CG   . GLU   B 121 ? 0.695694 0.408956 0.723829 0.0945078   -0.189481   -0.151612   133 GLU   A CG   
3614 C CD   . GLU   B 121 ? 0.754898 0.423667 0.820075 0.0887655   -0.213014   -0.165183   133 GLU   A CD   
3615 O OE1  . GLU   B 121 ? 0.813027 0.456971 0.888265 0.0937717   -0.210985   -0.157204   133 GLU   A OE1  
3616 O OE2  . GLU   B 121 ? 0.81315  0.470066 0.901333 0.0788615   -0.235414   -0.183755   133 GLU   A OE2  
3617 H H    . GLU   B 121 ? 0.556988 0.322979 0.534414 0.101697    -0.11962    -0.083562   133 GLU   A H    
3618 H HA   . GLU   B 121 ? 0.60182  0.375618 0.559884 0.117144    -0.146361   -0.132623   133 GLU   A HA   
3619 H HB2  . GLU   B 121 ? 0.662492 0.378539 0.660697 0.117452    -0.164141   -0.140048   133 GLU   A HB2  
3620 H HB3  . GLU   B 121 ? 0.64048  0.357574 0.66997  0.0870117   -0.161767   -0.107492   133 GLU   A HB3  
3621 H HG2  . GLU   B 121 ? 0.679627 0.406748 0.71997  0.0788883   -0.188581   -0.139033   133 GLU   A HG2  
3622 H HG3  . GLU   B 121 ? 0.705482 0.429257 0.710185 0.109382    -0.192629   -0.172144   133 GLU   A HG3  
3623 N N    . LEU   B 122 ? 0.560682 0.359018 0.554661 0.0821591   -0.148656   -0.107792   134 LEU   A N    
3624 C CA   . LEU   B 122 ? 0.544052 0.361613 0.56313  0.06269     -0.149081   -0.094225   134 LEU   A CA   
3625 C C    . LEU   B 122 ? 0.585443 0.388503 0.642622 0.0472965   -0.173838   -0.105875   134 LEU   A C    
3626 O O    . LEU   B 122 ? 0.613826 0.414568 0.668364 0.0551812   -0.193757   -0.132239   134 LEU   A O    
3627 C CB   . LEU   B 122 ? 0.54188  0.389919 0.539549 0.0732551   -0.144364   -0.0974159  134 LEU   A CB   
3628 C CG   . LEU   B 122 ? 0.533377 0.407257 0.558974 0.0575615   -0.14397    -0.085595   134 LEU   A CG   
3629 C CD1  . LEU   B 122 ? 0.532105 0.4105   0.577517 0.0394468   -0.126029   -0.060047   134 LEU   A CD1  
3630 C CD2  . LEU   B 122 ? 0.511717 0.412644 0.515642 0.0717962   -0.136977   -0.0843174  134 LEU   A CD2  
3631 H H    . LEU   B 122 ? 0.575502 0.376366 0.550528 0.0961603   -0.154082   -0.124808   134 LEU   A H    
3632 H HA   . LEU   B 122 ? 0.530666 0.352466 0.558288 0.0523      -0.136479   -0.0745     134 LEU   A HA   
3633 H HB2  . LEU   B 122 ? 0.526469 0.381027 0.502623 0.0816386   -0.12886    -0.0891028  134 LEU   A HB2  
3634 H HB3  . LEU   B 122 ? 0.561941 0.408249 0.54758  0.0841484   -0.157105   -0.116158   134 LEU   A HB3  
3635 H HG   . LEU   B 122 ? 0.550384 0.421831 0.597489 0.0498265   -0.160735   -0.0953284  134 LEU   A HG   
3636 H HD11 . LEU   B 122 ? 0.535595 0.401436 0.603097 0.0267567   -0.133605   -0.0574849  134 LEU   A HD11 
3637 H HD12 . LEU   B 122 ? 0.51074  0.411081 0.566442 0.034438    -0.119996   -0.0527281  134 LEU   A HD12 
3638 H HD13 . LEU   B 122 ? 0.514883 0.388431 0.541198 0.0456934   -0.113283   -0.0535586  134 LEU   A HD13 
3639 H HD21 . LEU   B 122 ? 0.532109 0.432252 0.517931 0.084401    -0.147416   -0.0985783  134 LEU   A HD21 
3640 H HD22 . LEU   B 122 ? 0.498747 0.40142  0.486832 0.0765862   -0.120441   -0.0735311  134 LEU   A HD22 
3641 H HD23 . LEU   B 122 ? 0.506699 0.424821 0.531821 0.0637422   -0.13899    -0.0796932  134 LEU   A HD23 
3642 N N    . LEU   B 123 ? 0.595104 0.393101 0.688617 0.0234458   -0.172212   -0.0844396  135 LEU   A N    
3643 C CA   . LEU   B 123 ? 0.621777 0.400946 0.758773 0.00440632  -0.194622   -0.0899105  135 LEU   A CA   
3644 C C    . LEU   B 123 ? 0.601428 0.414246 0.763543 -0.00998162 -0.200093   -0.0888576  135 LEU   A C    
3645 O O    . LEU   B 123 ? 0.606859 0.41541  0.791764 -0.0155821  -0.22403    -0.109285   135 LEU   A O    
3646 C CB   . LEU   B 123 ? 0.643535 0.405165 0.806829 -0.0150564  -0.187836   -0.0604578  135 LEU   A CB   
3647 C CG   . LEU   B 123 ? 0.669045 0.404814 0.809744 -0.00023762 -0.17989    -0.0553858  135 LEU   A CG   
3648 C CD1  . LEU   B 123 ? 0.714741 0.435357 0.883626 -0.0207258  -0.176748   -0.0224942  135 LEU   A CD1  
3649 C CD2  . LEU   B 123 ? 0.695203 0.396469 0.827447 0.0202567   -0.199255   -0.0893182  135 LEU   A CD2  
3650 H H    . LEU   B 123 ? 0.571012 0.378625 0.662566 0.0181512   -0.156703   -0.0652742  135 LEU   A H    
3651 H HA   . LEU   B 123 ? 0.65104  0.408902 0.784513 0.0139667   -0.210308   -0.112467   135 LEU   A HA   
3652 H HB2  . LEU   B 123 ? 0.620157 0.406974 0.787827 -0.0256293  -0.17348    -0.0404968  135 LEU   A HB2  
3653 H HB3  . LEU   B 123 ? 0.668284 0.41249  0.863027 -0.0284799  -0.203592   -0.0626653  135 LEU   A HB3  
3654 H HG   . LEU   B 123 ? 0.643638 0.398251 0.756526 0.010228    -0.163703   -0.0511279  135 LEU   A HG   
3655 H HD11 . LEU   B 123 ? 0.682113 0.429059 0.853439 -0.032795   -0.163413   -0.00289463 135 LEU   A HD11 
3656 H HD12 . LEU   B 123 ? 0.705305 0.412291 0.860552 -0.0102039  -0.172468   -0.0186491  135 LEU   A HD12 
3657 H HD13 . LEU   B 123 ? 0.73021  0.429716 0.929089 -0.0321833  -0.192695   -0.0244337  135 LEU   A HD13 
3658 H HD21 . LEU   B 123 ? 0.691501 0.40701  0.797554 0.0355701   -0.197377   -0.106519   135 LEU   A HD21 
3659 H HD22 . LEU   B 123 ? 0.724335 0.40809  0.883517 0.0107241   -0.217134   -0.0989192  135 LEU   A HD22 
3660 H HD23 . LEU   B 123 ? 0.704258 0.388017 0.831201 0.0279476   -0.195911   -0.0846104  135 LEU   A HD23 
3661 N N    . ASP   B 124 ? 0.581326 0.429142 0.741666 -0.0156096  -0.178109   -0.0661674  136 ASP   A N    
3662 C CA   . ASP   B 124 ? 0.58249  0.467903 0.773132 -0.0290038  -0.180233   -0.0619986  136 ASP   A CA   
3663 C C    . ASP   B 124 ? 0.536394 0.457518 0.711392 -0.0237825  -0.153218   -0.04448    136 ASP   A C    
3664 O O    . ASP   B 124 ? 0.548496 0.46195  0.695115 -0.016088   -0.134534   -0.0334619  136 ASP   A O    
3665 C CB   . ASP   B 124 ? 0.586446 0.471322 0.831152 -0.0603182  -0.187796   -0.0463595  136 ASP   A CB   
3666 C CG   . ASP   B 124 ? 0.590673 0.504244 0.8772   -0.0741035  -0.204808   -0.0556034  136 ASP   A CG   
3667 O OD1  . ASP   B 124 ? 0.597089 0.526941 0.868333 -0.0570328  -0.215274   -0.0774544  136 ASP   A OD1  
3668 O OD2  . ASP   B 124 ? 0.611619 0.533139 0.946455 -0.102075   -0.207936   -0.0392428  136 ASP   A OD2  
3669 H H    . ASP   B 124 ? 0.563528 0.413091 0.705473 -0.0107773  -0.161898   -0.0542372  136 ASP   A H    
3670 H HA   . ASP   B 124 ? 0.586671 0.476698 0.773598 -0.0203036  -0.194463   -0.0810915  136 ASP   A HA   
3671 H HB2  . ASP   B 124 ? 0.611313 0.463425 0.862818 -0.0641176  -0.199146   -0.0502598  136 ASP   A HB2  
3672 H HB3  . ASP   B 124 ? 0.571534 0.470618 0.820714 -0.069554   -0.17026    -0.0242468  136 ASP   A HB3  
3673 N N    . PHE   B 125 ? 0.515615 0.475681 0.712408 -0.0273669  -0.153052   -0.044238   137 PHE   A N    
3674 C CA   . PHE   B 125 ? 0.465773 0.461702 0.662909 -0.0266726  -0.12855    -0.0282686  137 PHE   A CA   
3675 C C    . PHE   B 125 ? 0.45138  0.489626 0.69503  -0.0396365  -0.133365   -0.0263512  137 PHE   A C    
3676 O O    . PHE   B 125 ? 0.46095  0.503638 0.722547 -0.0393103  -0.156467   -0.0420809  137 PHE   A O    
3677 C CB   . PHE   B 125 ? 0.447321 0.44276  0.601019 0.00054457  -0.119194   -0.0358151  137 PHE   A CB   
3678 C CG   . PHE   B 125 ? 0.448587 0.449445 0.592773 0.0180829   -0.138676   -0.0549954  137 PHE   A CG   
3679 C CD1  . PHE   B 125 ? 0.473217 0.446077 0.589297 0.030372    -0.155368   -0.072553   137 PHE   A CD1  
3680 C CD2  . PHE   B 125 ? 0.4344   0.471254 0.595499 0.0246836   -0.139944   -0.0554953  137 PHE   A CD2  
3681 C CE1  . PHE   B 125 ? 0.494664 0.477407 0.596076 0.0470505   -0.173312   -0.0892697  137 PHE   A CE1  
3682 C CE2  . PHE   B 125 ? 0.451892 0.495831 0.600167 0.0423166   -0.158921   -0.069827   137 PHE   A CE2  
3683 C CZ   . PHE   B 125 ? 0.490497 0.508455 0.606754 0.0527445   -0.175615   -0.0861709  137 PHE   A CZ   
3684 H H    . PHE   B 125 ? 0.526077 0.491023 0.739221 -0.0293999  -0.169656   -0.056102   137 PHE   A H    
3685 H HA   . PHE   B 125 ? 0.460649 0.453426 0.657663 -0.0360011  -0.115236   -0.0133615  137 PHE   A HA   
3686 H HB2  . PHE   B 125 ? 0.428789 0.444981 0.584904 0.00137365  -0.103544   -0.0271074  137 PHE   A HB2  
3687 H HB3  . PHE   B 125 ? 0.447689 0.419646 0.576054 0.00635641  -0.11483    -0.0354447  137 PHE   A HB3  
3688 H HD1  . PHE   B 125 ? 0.481308 0.43016  0.588385 0.0278919   -0.154989   -0.0734837  137 PHE   A HD1  
3689 H HD2  . PHE   B 125 ? 0.422098 0.480254 0.602369 0.0185624   -0.127496   -0.0457322  137 PHE   A HD2  
3690 H HE1  . PHE   B 125 ? 0.512957 0.479747 0.592942 0.0559285   -0.183773   -0.102586   137 PHE   A HE1  
3691 H HE2  . PHE   B 125 ? 0.450465 0.519377 0.612525 0.0476149   -0.160916   -0.0687158  137 PHE   A HE2  
3692 H HZ   . PHE   B 125 ? 0.500638 0.526769 0.605781 0.064547    -0.189054   -0.0957272  137 PHE   A HZ   
3693 N N    . LYS   B 126 ? 0.482794 0.55549  0.745313 -0.0501829  -0.11131    -0.00843554 138 LYS   A N    
3694 C CA   . LYS   B 126 ? 0.520188 0.641059 0.833479 -0.0652824  -0.11065    -0.00274648 138 LYS   A CA   
3695 C C    . LYS   B 126 ? 0.49733  0.656071 0.804766 -0.052341   -0.0850087  0.00191582  138 LYS   A C    
3696 O O    . LYS   B 126 ? 0.457128 0.602654 0.728326 -0.0428118  -0.0659964  0.00672127  138 LYS   A O    
3697 C CB   . LYS   B 126 ? 0.526317 0.652895 0.878734 -0.0982638  -0.109      0.0175567   138 LYS   A CB   
3698 H H    . LYS   B 126 ? 0.468066 0.536652 0.710899 -0.0474983  -0.095303   -4.93e-06   138 LYS   A H    
3699 H HA   . LYS   B 126 ? 0.517821 0.644121 0.844353 -0.0611513  -0.128497   -0.0157265  138 LYS   A HA   
3702 N N    . GLY   B 127 ? 0.492457 0.698596 0.83886  -0.0518113  -0.085818   -0.00131239 139 GLY   A N    
3703 C CA   . GLY   B 127 ? 0.495731 0.738103 0.8434   -0.0358503  -0.064314   -0.0017787  139 GLY   A CA   
3704 C C    . GLY   B 127 ? 0.545706 0.81794  0.903799 -0.0518983  -0.0359096  0.014601    139 GLY   A C    
3705 O O    . GLY   B 127 ? 0.634542 0.924977 1.02447  -0.0787414  -0.0353981  0.029366    139 GLY   A O    
3706 H H    . GLY   B 127 ? 0.506418 0.722778 0.881671 -0.0612595  -0.100967   -0.00439164 139 GLY   A H    
3707 H HA2  . GLY   B 127 ? 0.497725 0.718215 0.811779 -0.017877   -0.0612601  -0.00763451 139 GLY   A HA2  
3708 H HA3  . GLY   B 127 ? 0.502166 0.773046 0.87816  -0.0316181  -0.0718532  -0.00749112 139 GLY   A HA3  
3709 N N    . GLU   B 128 ? 0.559782 0.836935 0.890611 -0.0361457  -0.0130423  0.0121601   140 GLU   A N    
3710 C CA   . GLU   B 128 ? 0.566611 0.882731 0.904457 -0.0467984  0.0150489   0.0226688   140 GLU   A CA   
3711 C C    . GLU   B 128 ? 0.573547 0.949612 0.971106 -0.0642255  0.01729     0.0303153   140 GLU   A C    
3712 O O    . GLU   B 128 ? 0.538441 0.939431 0.9674   -0.051395   0.0076364   0.0180401   140 GLU   A O    
3713 C CB   . GLU   B 128 ? 0.575368 0.897637 0.888468 -0.0228334  0.0350954   0.00950907  140 GLU   A CB   
3714 O OXT  . GLU   B 128 ? 0.597875 0.993752 1.01092  -0.0911753  0.0265208   0.0506499   140 GLU   A OXT  
3715 H H    . GLU   B 128 ? 0.551152 0.807461 0.858175 -0.0185307  -0.0153122  0.00324417  140 GLU   A H    
3716 H HA   . GLU   B 128 ? 0.57372  0.872631 0.89476  -0.059974   0.0181428   0.0341812   140 GLU   A HA   
3719 C C4   . A1IOA C .   ? 0.444245 0.28237  0.433909 0.0140684   0.0217473   0.0928092   201 A1IOA B C4   
3720 C C14  . A1IOA C .   ? 0.594001 0.432969 0.57217  0.0609054   -0.0490265  0.0816046   201 A1IOA B C14  
3721 C C5   . A1IOA C .   ? 0.503329 0.314265 0.491371 0.0213123   0.025985    0.108098    201 A1IOA B C5   
3722 C C6   . A1IOA C .   ? 0.57132  0.361218 0.520663 0.038669    0.0232392   0.12716     201 A1IOA B C6   
3723 C C11  . A1IOA C .   ? 0.777566 0.531572 0.739006 0.0746354   -0.0107903  0.135179    201 A1IOA B C11  
3724 C C7   . A1IOA C .   ? 0.556576 0.353878 0.468862 0.0480208   0.0162301   0.128891    201 A1IOA B C7   
3725 C C8   . A1IOA C .   ? 0.626894 0.401662 0.480148 0.0845668   -0.0140816  0.142214    201 A1IOA B C8   
3726 C C9   . A1IOA C .   ? 0.739405 0.482027 0.712315 0.0432469   0.0340403   0.145261    201 A1IOA B C9   
3727 C C10  . A1IOA C .   ? 0.737107 0.491879 0.729968 0.0515219   0.011789    0.129591    201 A1IOA B C10  
3728 C C12  . A1IOA C .   ? 0.735426 0.533713 0.711271 0.0871802   -0.0532349  0.106542    201 A1IOA B C12  
3729 C C13  . A1IOA C .   ? 0.680792 0.495446 0.637284 0.0774661   -0.0515092  0.0995847   201 A1IOA B C13  
3730 N N1   . A1IOA C .   ? 0.38899  0.266339 0.427009 0.00348778  -0.00111323 0.0514203   201 A1IOA B N1   
3731 C C3   . A1IOA C .   ? 0.440326 0.283677 0.395293 0.0230481   0.0155899   0.09559     201 A1IOA B C3   
3732 C C1   . A1IOA C .   ? 0.463997 0.308926 0.341081 0.0428925   0.00950099  0.102575    201 A1IOA B C1   
3733 O O1   . A1IOA C .   ? 0.492837 0.317859 0.370634 0.0505986   0.00595856  0.114193    201 A1IOA B O1   
3734 C C2   . A1IOA C .   ? 0.499128 0.322846 0.416102 0.0395482   0.0126483   0.112323    201 A1IOA B C2   
3735 O O2   . A1IOA C .   ? 0.610023 0.385421 0.477526 0.0671853   0.0129362   0.147011    201 A1IOA B O2   
3736 O O3   . A1IOA C .   ? 0.728355 0.486239 0.666405 0.0497372   0.0275299   0.14618     201 A1IOA B O3   
3737 O O4   . A1IOA C .   ? 0.786112 0.565879 0.776714 0.0753994   -0.0295101  0.114323    201 A1IOA B O4   
3738 C C15  . A1IOA C .   ? 0.53808  0.38634  0.489726 0.0558879   -0.0475678  0.0778548   201 A1IOA B C15  
3739 C C16  . A1IOA C .   ? 0.474094 0.345287 0.447282 0.0418661   -0.0489162  0.0587452   201 A1IOA B C16  
3740 O O5   . A1IOA C .   ? 0.431844 0.306383 0.427073 0.0269413   -0.0297408  0.0568059   201 A1IOA B O5   
3741 C C17  . A1IOA C .   ? 0.366702 0.258443 0.385811 0.0156198   -0.0290997  0.0410119   201 A1IOA B C17  
3742 O O6   . A1IOA C .   ? 0.351055 0.253803 0.375494 0.01564     -0.0403842  0.0304113   201 A1IOA B O6   
3743 C C18  . A1IOA C .   ? 0.366062 0.260744 0.406084 0.00272278  -0.0126125  0.0374341   201 A1IOA B C18  
3744 C C19  . A1IOA C .   ? 0.351928 0.255453 0.42535  -0.00162023 -0.0147117  0.0238324   201 A1IOA B C19  
3745 C C20  . A1IOA C .   ? 0.350814 0.242508 0.440983 0.00787531  -0.0192482  0.028519    201 A1IOA B C20  
3746 C C21  . A1IOA C .   ? 0.381658 0.2526   0.468517 0.00695156  -0.00704601 0.0408564   201 A1IOA B C21  
3747 C C22  . A1IOA C .   ? 0.407321 0.267751 0.458758 0.011287    -0.00392126 0.0575372   201 A1IOA B C22  
3748 C C23  . A1IOA C .   ? 0.365286 0.242828 0.391495 -0.00218429 0.0116979   0.0579718   201 A1IOA B C23  
3749 O O7   . A1IOA C .   ? 0.346606 0.238899 0.362714 -0.00590594 0.0127252   0.0521401   201 A1IOA B O7   
3750 C C24  . A1IOA C .   ? 0.394844 0.253119 0.419727 -0.00257842 0.025593    0.0739638   201 A1IOA B C24  
3751 C C25  . A1IOA C .   ? 0.379917 0.250335 0.40913  -0.0146842  0.0416876   0.0739663   201 A1IOA B C25  
3752 C C26  . A1IOA C .   ? 0.357072 0.244894 0.420102 -0.0298021  0.0444776   0.0555331   201 A1IOA B C26  
3753 C C27  . A1IOA C .   ? 0.353118 0.257727 0.427774 -0.0413285  0.057632    0.053335    201 A1IOA B C27  
3754 C C28  . A1IOA C .   ? 0.378442 0.267663 0.458835 -0.0459256  0.0749536   0.069515    201 A1IOA B C28  
3755 C C29  . A1IOA C .   ? 0.411428 0.281284 0.452704 -0.0300309  0.075936    0.0904082   201 A1IOA B C29  
3756 C C30  . A1IOA C .   ? 0.408104 0.259359 0.433363 -0.0160695  0.0594231   0.0929263   201 A1IOA B C30  
3757 H H18  . A1IOA C .   ? 0.571712 0.420259 0.57992  0.0537044   -0.0477706  0.0716874   201 A1IOA B H18  
3758 H H5   . A1IOA C .   ? 0.503145 0.308099 0.514743 0.0152074   0.0308003   0.105436    201 A1IOA B H5   
3759 H H13  . A1IOA C .   ? 0.782645 0.542345 0.718218 0.0763571   -0.0117861  0.137884    201 A1IOA B H13  
3760 H H14  . A1IOA C .   ? 0.818559 0.549157 0.766875 0.0874879   -0.0115595  0.149357    201 A1IOA B H14  
3761 H H7   . A1IOA C .   ? 0.658538 0.42209  0.474411 0.097948    -0.0176007  0.152016    201 A1IOA B H7   
3762 H H8   . A1IOA C .   ? 0.634035 0.399761 0.502645 0.0882532   -0.0181305  0.144817    201 A1IOA B H8   
3763 H H6   . A1IOA C .   ? 0.596593 0.391141 0.462383 0.0798099   -0.0248908  0.126149    201 A1IOA B H6   
3764 H H10  . A1IOA C .   ? 0.717157 0.468361 0.713786 0.027153    0.0453412   0.137409    201 A1IOA B H10  
3765 H H9   . A1IOA C .   ? 0.778092 0.493949 0.737727 0.050372    0.0414493   0.162107    201 A1IOA B H9   
3766 H H11  . A1IOA C .   ? 0.74664  0.487142 0.75795  0.0519164   0.0148499   0.130616    201 A1IOA B H11  
3767 H H12  . A1IOA C .   ? 0.698436 0.47659  0.708656 0.0415394   0.00886417  0.113394    201 A1IOA B H12  
3768 H H16  . A1IOA C .   ? 0.718495 0.532432 0.722358 0.08644     -0.0625875  0.093488    201 A1IOA B H16  
3769 H H15  . A1IOA C .   ? 0.772972 0.556607 0.724187 0.103566    -0.0617979  0.118403    201 A1IOA B H15  
3770 H H17  . A1IOA C .   ? 0.69826  0.503066 0.62149  0.0851235   -0.0516814  0.109584    201 A1IOA B H17  
3771 H H4   . A1IOA C .   ? 0.426904 0.285502 0.382086 0.0187277   0.0135877   0.0859631   201 A1IOA B H4   
3772 H H2   . A1IOA C .   ? 0.483972 0.324908 0.330151 0.0521086   0.00772987  0.106266    201 A1IOA B H2   
3773 H H3   . A1IOA C .   ? 0.441425 0.297624 0.333654 0.0386913   -0.00103293 0.0890976   201 A1IOA B H3   
3774 H H1   . A1IOA C .   ? 0.45527  0.306026 0.347262 0.033299    0.0243568   0.104199    201 A1IOA B H1   
3775 H H20  . A1IOA C .   ? 0.562562 0.407178 0.489906 0.0672928   -0.0596996  0.0804728   201 A1IOA B H20  
3776 H H19  . A1IOA C .   ? 0.547105 0.387703 0.487373 0.0519916   -0.0330064  0.0865003   201 A1IOA B H19  
3777 H H22  . A1IOA C .   ? 0.465551 0.345686 0.458211 0.0427284   -0.059479   0.0498186   201 A1IOA B H22  
3778 H H21  . A1IOA C .   ? 0.475437 0.349481 0.428622 0.042192    -0.051361   0.0565045   201 A1IOA B H21  
3779 H H23  . A1IOA C .   ? 0.351334 0.254261 0.384713 -0.00315694 -0.00814942 0.0334521   201 A1IOA B H23  
3780 H H25  . A1IOA C .   ? 0.337168 0.25068  0.411895 -0.0018861  -0.0214394  0.0165511   201 A1IOA B H25  
3781 H H24  . A1IOA C .   ? 0.335338 0.242882 0.418909 -0.0101787  -0.00573654 0.0180742   201 A1IOA B H24  
3782 H H26  . A1IOA C .   ? 0.34655  0.245436 0.459159 0.00522171  -0.0186315  0.0187419   201 A1IOA B H26  
3783 H H27  . A1IOA C .   ? 0.369915 0.259707 0.450718 0.0177203   -0.030385   0.0330625   201 A1IOA B H27  
3784 H H28  . A1IOA C .   ? 0.368344 0.242933 0.467187 -0.00331939 0.00223786  0.0341444   201 A1IOA B H28  
3785 H H29  . A1IOA C .   ? 0.395382 0.254867 0.491219 0.0141162   -0.00936202 0.0448347   201 A1IOA B H29  
3786 H H30  . A1IOA C .   ? 0.420327 0.267408 0.472914 0.00882145  0.0065408   0.0658776   201 A1IOA B H30  
3787 H H31  . A1IOA C .   ? 0.4233   0.277876 0.45948  0.0229064   -0.0139066  0.0641083   201 A1IOA B H31  
3788 H H32  . A1IOA C .   ? 0.398183 0.24856  0.44321  -0.00563321 0.0276214   0.0719658   201 A1IOA B H32  
3789 H H33  . A1IOA C .   ? 0.375923 0.256149 0.387197 -0.0110159  0.0390031   0.0733009   201 A1IOA B H33  
3790 H H35  . A1IOA C .   ? 0.362023 0.239432 0.442115 -0.0328112  0.0459077   0.0538153   201 A1IOA B H35  
3791 H H34  . A1IOA C .   ? 0.339274 0.238283 0.400659 -0.0285807  0.0357418   0.0453998   201 A1IOA B H34  
3792 H H36  . A1IOA C .   ? 0.344716 0.26107  0.403675 -0.037257   0.0557534   0.0532745   201 A1IOA B H36  
3793 H H37  . A1IOA C .   ? 0.33712  0.251966 0.432029 -0.0496372  0.0568031   0.0404265   201 A1IOA B H37  
3794 H H38  . A1IOA C .   ? 0.375299 0.279631 0.466352 -0.0533843  0.0832011   0.0672378   201 A1IOA B H38  
3795 H H39  . A1IOA C .   ? 0.388763 0.264534 0.486534 -0.0510115  0.0776158   0.0687664   201 A1IOA B H39  
3796 H H40  . A1IOA C .   ? 0.401873 0.284209 0.42618  -0.0254336  0.0744322   0.0900431   201 A1IOA B H40  
3797 H H41  . A1IOA C .   ? 0.431569 0.288582 0.473738 -0.0324751  0.0893087   0.102907    201 A1IOA B H41  
3798 H H43  . A1IOA C .   ? 0.423104 0.259675 0.463176 -0.018331   0.0618352   0.0950218   201 A1IOA B H43  
3799 H H42  . A1IOA C .   ? 0.43364  0.274416 0.431399 -0.00510087 0.0583653   0.104943    201 A1IOA B H42  
3800 C C4   . A1IOA D .   ? 0.358636 0.318733 0.286519 0.0278776   -0.014059   0.0844755   201 A1IOA A C4   
3801 C C14  . A1IOA D .   ? 0.432627 0.435256 0.351208 -0.0168738  0.0130456   0.0886521   201 A1IOA A C14  
3802 C C5   . A1IOA D .   ? 0.382726 0.334514 0.318391 0.0217589   -0.0247739  0.104537    201 A1IOA A C5   
3803 C C6   . A1IOA D .   ? 0.401419 0.377196 0.328346 0.00739013  -0.0245937  0.123007    201 A1IOA A C6   
3804 C C11  . A1IOA D .   ? 0.531275 0.482868 0.48569  -0.0221434  -0.0299509  0.15636     201 A1IOA A C11  
3805 C C7   . A1IOA D .   ? 0.384266 0.392209 0.294083 0.00059877  -0.0150837  0.11601     201 A1IOA A C7   
3806 C C8   . A1IOA D .   ? 0.420482 0.469715 0.309972 -0.0258767  -0.00560505 0.135512    201 A1IOA A C8   
3807 C C9   . A1IOA D .   ? 0.496299 0.434578 0.450451 0.00282729  -0.0461413  0.158649    201 A1IOA A C9   
3808 C C10  . A1IOA D .   ? 0.515389 0.43833  0.478216 -0.00302137 -0.0419413  0.147802    201 A1IOA A C10  
3809 C C12  . A1IOA D .   ? 0.525462 0.511776 0.467214 -0.030828   -0.00473687 0.12896     201 A1IOA A C12  
3810 C C13  . A1IOA D .   ? 0.494421 0.482291 0.429247 -0.0211443  0.00508002  0.100986    201 A1IOA A C13  
3811 N N1   . A1IOA D .   ? 0.31199  0.245307 0.237478 0.0356145   -0.0010374  0.0516159   201 A1IOA A N1   
3812 C C3   . A1IOA D .   ? 0.344791 0.332229 0.260385 0.0190371   -0.00463639 0.0800848   201 A1IOA A C3   
3813 C C1   . A1IOA D .   ? 0.326321 0.36644  0.217803 -0.00200452 0.012116    0.063818    201 A1IOA A C1   
3814 O O1   . A1IOA D .   ? 0.341448 0.381017 0.234664 -0.00248402 0.00074844  0.0861571   201 A1IOA A O1   
3815 C C2   . A1IOA D .   ? 0.346084 0.356993 0.252594 0.00621052  -0.00593212 0.0932747   201 A1IOA A C2   
3816 O O2   . A1IOA D .   ? 0.426608 0.46413  0.322413 -0.0125607  -0.0147121  0.1313      201 A1IOA A O2   
3817 O O3   . A1IOA D .   ? 0.433969 0.408293 0.36599  -0.00225173 -0.03295    0.149117    201 A1IOA A O3   
3818 O O4   . A1IOA D .   ? 0.532154 0.492188 0.477954 -0.0177059  -0.0174973  0.12946     201 A1IOA A O4   
3819 C C15  . A1IOA D .   ? 0.395229 0.398771 0.309679 -0.0100392  0.0230326   0.0658962   201 A1IOA A C15  
3820 C C16  . A1IOA D .   ? 0.369725 0.367338 0.277014 -0.00078495 0.0226872   0.0565612   201 A1IOA A C16  
3821 O O5   . A1IOA D .   ? 0.333101 0.304008 0.248681 0.0114573   0.0138619   0.0563351   201 A1IOA A O5   
3822 C C17  . A1IOA D .   ? 0.289298 0.24767  0.206333 0.020099    0.0174372   0.0431886   201 A1IOA A C17  
3823 O O6   . A1IOA D .   ? 0.280176 0.244656 0.196256 0.0180675   0.0258406   0.0345993   201 A1IOA A O6   
3824 C C18  . A1IOA D .   ? 0.295243 0.233056 0.214919 0.0345546   0.00948387  0.040077    201 A1IOA A C18  
3825 C C19  . A1IOA D .   ? 0.302049 0.223199 0.227285 0.0399861   0.00376248  0.0334024   201 A1IOA A C19  
3826 C C20  . A1IOA D .   ? 0.303125 0.218849 0.242201 0.029911    -0.00562685 0.0428245   201 A1IOA A C20  
3827 C C21  . A1IOA D .   ? 0.324065 0.228133 0.269465 0.0312136   -0.0163292  0.0536061   201 A1IOA A C21  
3828 C C22  . A1IOA D .   ? 0.330807 0.253231 0.267725 0.028039    -0.0111201  0.0633693   201 A1IOA A C22  
3829 C C23  . A1IOA D .   ? 0.313219 0.255736 0.236846 0.0408204   -0.00088331 0.0534982   201 A1IOA A C23  
3830 O O7   . A1IOA D .   ? 0.28676  0.240824 0.20468  0.0422532   0.00834962  0.0456753   201 A1IOA A O7   
3831 C C24  . A1IOA D .   ? 0.349218 0.290347 0.28135  0.0435608   -0.0126441  0.0673805   201 A1IOA A C24  
3832 C C25  . A1IOA D .   ? 0.345819 0.298219 0.280489 0.0557058   -0.0113331  0.062539    201 A1IOA A C25  
3833 C C26  . A1IOA D .   ? 0.345094 0.283914 0.281463 0.073016    -0.00900006 0.0473783   201 A1IOA A C26  
3834 C C27  . A1IOA D .   ? 0.338041 0.289976 0.282778 0.0880381   -0.0083819  0.0440842   201 A1IOA A C27  
3835 C C28  . A1IOA D .   ? 0.349881 0.30646  0.309185 0.0922419   -0.0205762  0.0564985   201 A1IOA A C28  
3836 C C29  . A1IOA D .   ? 0.350974 0.322976 0.305413 0.0735342   -0.0231703  0.072321    201 A1IOA A C29  
3837 C C30  . A1IOA D .   ? 0.354113 0.310101 0.299887 0.0598644   -0.0240316  0.0776955   201 A1IOA A C30  
3838 H H18  . A1IOA D .   ? 0.444756 0.457752 0.355226 -0.0188979  0.0111316   0.0961278   201 A1IOA A H18  
3839 H H5   . A1IOA D .   ? 0.39527  0.3254   0.341967 0.026847    -0.0321691  0.105802    201 A1IOA A H5   
3840 H H13  . A1IOA D .   ? 0.537214 0.511846 0.479254 -0.027963   -0.0269602  0.167986    201 A1IOA A H13  
3841 H H14  . A1IOA D .   ? 0.545239 0.487112 0.513491 -0.030393   -0.0337947  0.166929    201 A1IOA A H14  
3842 H H7   . A1IOA D .   ? 0.436184 0.509788 0.313311 -0.0338822  -0.00509145 0.146433    201 A1IOA A H7   
3843 H H8   . A1IOA D .   ? 0.42971  0.461266 0.331298 -0.02687    -0.00963922 0.145484    201 A1IOA A H8   
3844 H H6   . A1IOA D .   ? 0.409762 0.461874 0.296392 -0.0257114  0.00390923  0.11745     201 A1IOA A H6   
3845 H H10  . A1IOA D .   ? 0.489055 0.41302  0.450203 0.0167136   -0.0517284  0.149988    201 A1IOA A H10  
3846 H H9   . A1IOA D .   ? 0.510723 0.449601 0.468991 -0.00351769 -0.053204   0.181019    201 A1IOA A H9   
3847 H H11  . A1IOA D .   ? 0.531333 0.43001  0.510751 -0.00219692 -0.0522999  0.154743    201 A1IOA A H11  
3848 H H12  . A1IOA D .   ? 0.496763 0.415536 0.456369 0.00556754  -0.0373646  0.127458    201 A1IOA A H12  
3849 H H16  . A1IOA D .   ? 0.531592 0.511305 0.487752 -0.0376198  -0.00749998 0.136142    201 A1IOA A H16  
3850 H H15  . A1IOA D .   ? 0.529978 0.540484 0.460044 -0.0382853  0.00016617  0.138651    201 A1IOA A H15  
3851 H H17  . A1IOA D .   ? 0.477392 0.454626 0.42126  -0.0183265  0.00471711  0.0923801   201 A1IOA A H17  
3852 H H4   . A1IOA D .   ? 0.333434 0.324202 0.247046 0.0221656   0.00175168  0.0683475   201 A1IOA A H4   
3853 H H2   . A1IOA D .   ? 0.329497 0.388781 0.212421 -0.00944375 0.0154958   0.0581896   201 A1IOA A H2   
3854 H H3   . A1IOA D .   ? 0.321899 0.350046 0.215162 -0.00126815 0.0171768   0.058817    201 A1IOA A H3   
3855 H H1   . A1IOA D .   ? 0.320761 0.354924 0.218978 0.0051146   0.011064    0.0594257   201 A1IOA A H1   
3856 H H20  . A1IOA D .   ? 0.391146 0.381079 0.314291 -0.00559394 0.0216441   0.0606552   201 A1IOA A H20  
3857 H H19  . A1IOA D .   ? 0.39524  0.41832  0.304482 -0.0159329  0.0315194   0.0616741   201 A1IOA A H19  
3858 H H22  . A1IOA D .   ? 0.356398 0.357459 0.260802 0.00069473  0.0302242   0.0440613   201 A1IOA A H22  
3859 H H21  . A1IOA D .   ? 0.370212 0.379606 0.271667 -0.00434142 0.0203183   0.0633244   201 A1IOA A H21  
3860 H H23  . A1IOA D .   ? 0.29104  0.231272 0.205829 0.0401757   0.0147      0.0342929   201 A1IOA A H23  
3861 H H25  . A1IOA D .   ? 0.292533 0.218201 0.215235 0.0398248   0.00998176  0.0276819   201 A1IOA A H25  
3862 H H24  . A1IOA D .   ? 0.304298 0.214745 0.227797 0.0506753   -0.00044319 0.0281488   201 A1IOA A H24  
3863 H H26  . A1IOA D .   ? 0.310891 0.21706  0.255493 0.0329555   -0.0106743  0.0365945   201 A1IOA A H26  
3864 H H27  . A1IOA D .   ? 0.303159 0.233676 0.243156 0.019536    3.192e-05   0.0483864   201 A1IOA A H27  
3865 H H28  . A1IOA D .   ? 0.330661 0.220604 0.276666 0.0427939   -0.0218481  0.0455851   201 A1IOA A H28  
3866 H H29  . A1IOA D .   ? 0.334955 0.233969 0.291211 0.0229996   -0.022484   0.0625585   201 A1IOA A H29  
3867 H H30  . A1IOA D .   ? 0.338862 0.252885 0.281573 0.0316456   -0.0194129  0.0706689   201 A1IOA A H30  
3868 H H31  . A1IOA D .   ? 0.326858 0.263868 0.261912 0.0166106   -0.0071264  0.0713965   201 A1IOA A H31  
3869 H H32  . A1IOA D .   ? 0.356506 0.278724 0.296791 0.0483855   -0.0207707  0.0687558   201 A1IOA A H32  
3870 H H33  . A1IOA D .   ? 0.334074 0.303514 0.262901 0.0495923   -0.00366071 0.0596572   201 A1IOA A H33  
3871 H H35  . A1IOA D .   ? 0.353646 0.273748 0.293962 0.0774041   -0.0162789  0.045866    201 A1IOA A H35  
3872 H H34  . A1IOA D .   ? 0.333481 0.27492  0.262015 0.0706113   -0.00046932 0.0404246   201 A1IOA A H34  
3873 H H36  . A1IOA D .   ? 0.329124 0.298429 0.270746 0.0838438   0.00049618  0.0423653   201 A1IOA A H36  
3874 H H37  . A1IOA D .   ? 0.346218 0.288574 0.29098  0.100247    -0.00826065 0.0346642   201 A1IOA A H37  
3875 H H38  . A1IOA D .   ? 0.349793 0.321199 0.316066 0.101044    -0.0183527  0.0536029   201 A1IOA A H38  
3876 H H39  . A1IOA D .   ? 0.365524 0.30177  0.331535 0.0990724   -0.0297194  0.0573541   201 A1IOA A H39  
3877 H H40  . A1IOA D .   ? 0.33898  0.329983 0.288238 0.0670725   -0.015352   0.0686612   201 A1IOA A H40  
3878 H H41  . A1IOA D .   ? 0.36098  0.337101 0.324081 0.0768226   -0.0323348  0.082887    201 A1IOA A H41  
3879 H H43  . A1IOA D .   ? 0.368928 0.30487  0.322658 0.0646883   -0.0324784  0.0814045   201 A1IOA A H43  
3880 H H42  . A1IOA D .   ? 0.357245 0.326663 0.298321 0.0489389   -0.0250758  0.0881363   201 A1IOA A H42  
# 
